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name Structure Reference Source Properties Activities Metabolism

5-Methoxytryptamine; Nb-Ac 

AlkaPlorer ID: AK000287

Synonym: N-[2-(5-Methoxy-1H-indol-3-yl)ethyl]acetamide, N-Acetyl-5-methoxytryptamine, Melatonin 

IUPAC Name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide

Structure

SMILES: COC1=CC=C2NC=C(CCN=C(C)O)C2=C1

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InChI: InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)

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InChIKey: DRLFMBDRBRZALE-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 232.283

TPSA？: 57.61

MolLogP？: 2.6954

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 39810.7 nM None
Bacillus subtilis (strain 168) ATP-dependent Clp protease proteolytic subunit Potency 28183.8 nM None
Bos taurus Acetylcholinesterase IC50 100.0 nM 10.1021/jm050746d
Bos taurus Progesterone receptor IC50 nan None None
Bos taurus Progesterone receptor Ki nan None None
Cavia porcellus Leukotriene C4 synthase IC50 nan None None
Cavia porcellus Leukotriene C4 synthase Ki nan None None
Cavia porcellus Serotonin 4 (5-HT4) receptor IC50 nan None None
Cavia porcellus Serotonin 4 (5-HT4) receptor Ki nan None None
Electrophorus electricus Acetylcholinesterase IC50 nan None 10.1016/j.bmc.2011.09.040
Electrophorus electricus Acetylcholinesterase IC50 nan None 10.1016/j.bmc.2016.07.025
Electrophorus electricus Acetylcholinesterase IC50 nan None 10.1021/acs.jmedchem.6b01178
Electrophorus electricus Acetylcholinesterase Inhibition 15.52 % 10.1016/j.bmc.2012.09.040
Equus caballus Butyrylcholinesterase IC50 100.0 nM 10.1021/jm050746d
Equus caballus Butyrylcholinesterase IC50 nan None 10.1016/j.bmc.2011.09.040
Equus caballus Cholinesterase IC50 nan None 10.1016/j.bmc.2016.07.025
Equus caballus Cholinesterase IC50 nan None 10.1021/acs.jmedchem.6b01178
Equus caballus Cholinesterase Inhibition 1.01 % 10.1016/j.bmc.2012.09.040
Gallus gallus Melatonin receptor Activity 100.0 % 10.1021/jm9804937
Gallus gallus Melatonin receptor EC50 22.6 nM 10.1021/jm9804937
Gallus gallus Melatonin receptor Ki 0.176 nM 10.1021/jm00012a004
Gallus gallus Melatonin receptor Ki 0.46 nM 10.1021/jm960219h
Gallus gallus Melatonin receptor Ki 0.57 nM 10.1021/jm00072a008
Gallus gallus Melatonin receptor Ki 0.59 nM 10.1016/j.ejmech.2019.111847
Gallus gallus Melatonin receptor Ki 0.59 nM 10.1016/S0960-894X(01)80565-5
Gallus gallus Melatonin receptor Ki 0.59 nM 10.1016/S0960-894X(01)80566-7
Gallus gallus Melatonin receptor Ki 0.59 nM 10.1021/jm00007a010
Gallus gallus Melatonin receptor Ki 0.59 nM 10.1021/jm9508189
Gallus gallus Melatonin receptor Ki 0.59 nM 10.1021/jm970246n
Gallus gallus Melatonin receptor Ki 0.67 nM 10.1021/jm00012a004
Gallus gallus Melatonin receptor Ki 0.6761 nM 10.1021/jm960680+
Gallus gallus Melatonin receptor Ki 0.7 nM 10.1021/jm000922c
Gallus gallus Melatonin receptor Ki 0.7 nM 10.1021/jm9804937
Gallus gallus Melatonin receptor Ki 1.08 nM 10.1021/jm00012a004
Gallus gallus Melatonin receptor pRA 0.0 None 10.1021/jm9810093
Gallus gallus Melatonin receptor Relative affinity 1.0 None 10.1021/jm00072a008
Gallus gallus Melatonin receptor 1B Ki 0.7 nM 10.1016/s0960-894x(98)00601-5
Gallus gallus Melatonin receptor 1C Relative affinity 1.0 None 10.1021/jm9810093
Homo sapiens 15-hydroxyprostaglandin dehydrogenase [NAD+] Potency 28183.8 nM None
Homo sapiens 786-0 GI50 88511.56 nM None
Homo sapiens A498 GI50 100000.0 nM None
Homo sapiens A549 GI50 100000.0 nM None
Homo sapiens A549 IC50 30000.0 nM 10.1016/j.ejmech.2020.113027
Homo sapiens A549 IC50 1300000.0 nM 10.1016/j.ejmech.2017.07.043
Homo sapiens Acetylcholinesterase AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Acetylcholinesterase IC50 nan None 10.1016/j.ejmech.2017.02.034
Homo sapiens Acetylcholinesterase IC50 nan None 10.1021/acs.jmedchem.6b01178
Homo sapiens Acetylcholinesterase IC50 nan None 10.1021/jm050746d
Homo sapiens Acetylcholinesterase IC50 nan None 10.1021/jm201460y
Homo sapiens Acetylcholinesterase IC50 nan None None
Homo sapiens Acetylcholinesterase Inhibition nan % 10.1021/acs.jmedchem.1c00534
Homo sapiens Acetylcholinesterase Ki nan None None
Homo sapiens ACHN GI50 100000.0 nM None
Homo sapiens Adenosine A1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A1 receptor IC50 nan None None
Homo sapiens Adenosine A1 receptor Ki nan None None
Homo sapiens Adenosine A2a receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A2a receptor IC50 nan None None
Homo sapiens Adenosine A2a receptor Ki nan None None
Homo sapiens Adenosine A3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A3 receptor IC50 nan None None
Homo sapiens Adenosine A3 receptor Ki nan None None
Homo sapiens Adhesion G-protein coupled receptor F1 %Inhib (Mean) -45.16 % 10.6019/CHEMBL5209801
Homo sapiens Adhesion G-protein coupled receptor F1 %Max (Mean) 21.01 % 10.6019/CHEMBL5209801
Homo sapiens AGS IC50 30000.0 nM 10.1016/j.ejmech.2020.113027
Homo sapiens Aldehyde dehydrogenase 1A1 Potency 39810.7 nM None
Homo sapiens Alpha-1a adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1a adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1d adrenergic receptor IC50 nan None None
Homo sapiens Alpha-1d adrenergic receptor Ki nan None None
Homo sapiens Alpha-2a adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor IC50 nan None None
Homo sapiens Alpha-2a adrenergic receptor %Inhib (Mean) -32.79 % 10.6019/CHEMBL5209801
Homo sapiens Alpha-2a adrenergic receptor Ki nan None None
Homo sapiens Alpha-2a adrenergic receptor %Max (Mean) -1.71 % 10.6019/CHEMBL5209801
Homo sapiens Alpha-2b adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2b adrenergic receptor IC50 nan None None
Homo sapiens Alpha-2b adrenergic receptor Ki nan None None
Homo sapiens Alpha-2c adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2c adrenergic receptor IC50 nan None None
Homo sapiens Alpha-2c adrenergic receptor Ki nan None None
Homo sapiens Amyloid-beta A4 protein Activity 24.0 % 10.1021/acs.jmedchem.7b01417
Homo sapiens Amyloid-beta A4 protein Activity 44.3 % 10.1021/acs.jmedchem.7b01417
Homo sapiens Amyloid-beta A4 protein Inhibition 19.3 % 10.1021/acs.jmedchem.7b01417
Homo sapiens Amyloid-beta A4 protein Inhibition 22.5 % 10.1021/acs.jmedchem.7b01417
Homo sapiens Amyloid-beta A4 protein Inhibition 49.1 % 10.1021/acs.jmedchem.7b01417
Homo sapiens Amyloid-beta A4 protein Inhibition nan % 10.1016/j.bmc.2016.07.025
Homo sapiens Amyloid-beta A4 protein Inhibition nan % 10.1016/j.bmc.2017.05.027
Homo sapiens Androgen Receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Angiotensin II type 2 (AT-2) receptor IC50 nan None None
Homo sapiens Angiotensin II type 2 (AT-2) receptor Ki nan None None
Homo sapiens Apelin receptor %Inhib (Mean) -44.48 % 10.6019/CHEMBL5209801
Homo sapiens Apelin receptor %Max (Mean) -1.284 % 10.6019/CHEMBL5209801
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 29081.0 nM None
Homo sapiens Beta-1 adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-1 adrenergic receptor IC50 nan None None
Homo sapiens Beta-1 adrenergic receptor Ki nan None None
Homo sapiens Beta-2 adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-2 adrenergic receptor IC50 nan None None
Homo sapiens Beta-2 adrenergic receptor %Inhib (Mean) -39.37 % 10.6019/CHEMBL5209801
Homo sapiens Beta-2 adrenergic receptor Ki nan None None
Homo sapiens Beta-2 adrenergic receptor %Max (Mean) -2.115 % 10.6019/CHEMBL5209801
Homo sapiens Beta-3 adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-3 adrenergic receptor IC50 nan None None
Homo sapiens Beta-3 adrenergic receptor Ki nan None None
Homo sapiens Bile salt export pump IC50 133000.0 nM 10.1093/toxsci/kft176
Homo sapiens Bloom syndrome protein Potency 1.6 nM None
Homo sapiens Bradykinin B1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Bradykinin B2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Bradykinin B2 receptor IC50 nan None None
Homo sapiens Bradykinin B2 receptor Ki nan None None
Homo sapiens Bromodomain-containing protein 4 Delta TM -0.72 C None
Homo sapiens BT-549 Efficacy 91.0 % 10.1021/acs.jnatprod.7b00853
Homo sapiens BT-549 IC50 30000000.0 nM 10.1021/acs.jnatprod.7b00853
Homo sapiens Butyrylcholinesterase IC50 nan None 10.1016/j.ejmech.2017.02.034
Homo sapiens Butyrylcholinesterase IC50 nan None 10.1021/acs.jmedchem.6b01178
Homo sapiens Butyrylcholinesterase IC50 nan None 10.1021/jm050746d
Homo sapiens Butyrylcholinesterase IC50 nan None 10.1021/jm201460y
Homo sapiens Butyrylcholinesterase Inhibition nan % 10.1021/acs.jmedchem.1c00534
Homo sapiens Butyrylcholinesterase t1/2 nan None 10.1021/acs.jmedchem.1c00534
Homo sapiens C5a anaphylatoxin chemotactic receptor %Inhib (Mean) -53.58 % 10.6019/CHEMBL5209801
Homo sapiens C5a anaphylatoxin chemotactic receptor %Max (Mean) -2.185 % 10.6019/CHEMBL5209801
Homo sapiens CAKI-1 GI50 100000.0 nM None
Homo sapiens Calcitonin receptor IC50 nan None None
Homo sapiens Calcitonin receptor Ki nan None None
Homo sapiens Canalicular multispecific organic anion transporter 1 IC50 133000.0 nM 10.1093/toxsci/kft176
Homo sapiens Canalicular multispecific organic anion transporter 2 IC50 133000.0 nM 10.1093/toxsci/kft176
Homo sapiens Cannabinoid CB1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cannabinoid CB1 receptor IC50 nan None None
Homo sapiens Cannabinoid CB1 receptor Ki nan None None
Homo sapiens Carbonic anhydrase II IC50 nan None None
Homo sapiens Carbonic anhydrase II Ki nan None None
Homo sapiens Casein kinase I delta Delta TM -0.03 C None
Homo sapiens Caspase-1 IC50 nan None None
Homo sapiens Caspase-1 Ki nan None None
Homo sapiens Cathepsin G IC50 nan None None
Homo sapiens Cathepsin G Ki nan None None
Homo sapiens C-C chemokine receptor type 2 IC50 nan None None
Homo sapiens C-C chemokine receptor type 2 Ki nan None None
Homo sapiens C-C chemokine receptor type 4 IC50 nan None None
Homo sapiens C-C chemokine receptor type 4 Ki nan None None
Homo sapiens C-C chemokine receptor type 5 IC50 nan None None
Homo sapiens C-C chemokine receptor type 5 Ki nan None None
Homo sapiens CCRF-CEM GI50 100000.0 nM None
Homo sapiens Cholecystokinin A receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cholecystokinin A receptor IC50 nan None None
Homo sapiens Cholecystokinin A receptor Ki nan None None
Homo sapiens Cholecystokinin B receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Chromobox protein homolog 1 Potency 28183.8 nM None
Homo sapiens COLO 205 GI50 29853.83 nM None
Homo sapiens Corticotropin releasing factor receptor 1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Corticotropin releasing factor receptor 2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens C-X3-C chemokine receptor 1 %Inhib (Mean) -36.45 % 10.6019/CHEMBL5209801
Homo sapiens C-X3-C chemokine receptor 1 %Max (Mean) -2.23 % 10.6019/CHEMBL5209801
Homo sapiens Cyclin-dependent kinase 2 Delta TM 0.6 C None
Homo sapiens Cyclooxygenase-1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cyclooxygenase-1 IC50 nan None None
Homo sapiens Cyclooxygenase-1 Ki nan None None
Homo sapiens Cyclooxygenase-2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cyclooxygenase-2 IC50 nan None 10.1016/j.ejmech.2021.113564
Homo sapiens Cyclooxygenase-2 IC50 nan None None
Homo sapiens Cyclooxygenase-2 Ki nan None None
Homo sapiens Cysteinyl leukotriene receptor 1 IC50 nan None None
Homo sapiens Cysteinyl leukotriene receptor 1 Ki nan None None
Homo sapiens Cytochrome P450 19A1 IC50 nan None 10.1021/jm801335z
Homo sapiens Cytochrome P450 1A1 Ki 59000.0 nM 10.1016/j.ejmech.2017.04.042
Homo sapiens Cytochrome P450 1A2 AC50 5011.87 nM None
Homo sapiens Cytochrome P450 1A2 IC50 nan None None
Homo sapiens Cytochrome P450 1A2 Ki 12000.0 nM 10.1016/j.ejmech.2017.04.042
Homo sapiens Cytochrome P450 1A2 Ki nan None None
Homo sapiens Cytochrome P450 1B1 Ki 14000.0 nM 10.1016/j.ejmech.2017.04.042
Homo sapiens Cytochrome P450 2A6 IC50 nan None None
Homo sapiens Cytochrome P450 2A6 Ki nan None None
Homo sapiens Cytochrome P450 2C19 AC50 nan None None
Homo sapiens Cytochrome P450 2C19 IC50 nan None None
Homo sapiens Cytochrome P450 2C19 Ki nan None None
Homo sapiens Cytochrome P450 2C9 AC50 nan None None
Homo sapiens Cytochrome P450 2C9 IC50 nan None None
Homo sapiens Cytochrome P450 2C9 Ki nan None None
Homo sapiens Cytochrome P450 2D6 AC50 10000.0 nM None
Homo sapiens Cytochrome P450 2D6 IC50 nan None None
Homo sapiens Cytochrome P450 2D6 Ki nan None None
Homo sapiens Cytochrome P450 2D6 Potency 10000.0 nM None
Homo sapiens Cytochrome P450 2E1 IC50 nan None None
Homo sapiens Cytochrome P450 2E1 Ki nan None None
Homo sapiens Cytochrome P450 3A4 AC50 nan None None
Homo sapiens Cytochrome P450 3A4 IC50 nan None None
Homo sapiens Cytochrome P450 3A4 Ki nan None None
Homo sapiens Cytochrome P450 3A4 Potency 19952.6 nM None
Homo sapiens Cytochrome P450 3A4 T1/2 0.3333 hr 10.1021/jm401343c
Homo sapiens Delta opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Delta opioid receptor IC50 nan None None
Homo sapiens Delta opioid receptor Ki nan None None
Homo sapiens DLD-1 GI50 100000.0 nM None
Homo sapiens DMS-114 GI50 100000.0 nM None
Homo sapiens DMS-273 GI50 100000.0 nM None
Homo sapiens Dopamine D1 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D1 receptor IC50 nan None None
Homo sapiens Dopamine D1 receptor Ki nan None None
Homo sapiens Dopamine D2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D2 receptor IC50 nan None None
Homo sapiens Dopamine D2 receptor Ki nan None None
Homo sapiens Dopamine D3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D3 receptor IC50 nan None None
Homo sapiens Dopamine D3 receptor Ki nan None None
Homo sapiens Dopamine D4 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D4 receptor IC50 nan None None
Homo sapiens Dopamine D4 receptor Ki nan None None
Homo sapiens Dopamine transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine transporter IC50 nan None None
Homo sapiens Dopamine transporter Ki nan None None
Homo sapiens EKVX GI50 100000.0 nM None
Homo sapiens Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 39810.7 nM None
Homo sapiens Endothelin receptor ET-A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Endothelin receptor ET-A IC50 nan None None
Homo sapiens Endothelin receptor ET-A Ki nan None None
Homo sapiens Endothelin receptor ET-B AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Epidermal growth factor receptor erbB1 IC50 nan None None
Homo sapiens Epidermal growth factor receptor erbB1 Ki nan None None
Homo sapiens Equilibrative nucleoside transporter 1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Estrogen receptor alpha AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Estrogen receptor alpha IC50 nan None None
Homo sapiens Estrogen receptor alpha Ki nan None None
Homo sapiens Estrogen receptor beta AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Estrogen receptor beta IC50 nan None None
Homo sapiens Estrogen receptor beta Ki nan None None
Homo sapiens Fibroblast Growth Rate 0.06 None 10.6019/CHEMBL5058564
Homo sapiens Fibroblast Growth Rate 0.91 None 10.6019/CHEMBL5058564
Homo sapiens Fibroblast growth factor receptor 3 Delta TM 0.12 C None
Homo sapiens Gamma-aminobutyric acid receptor subunit alpha-1/alpha-2/beta-2/gamma-2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Gastric inhibitory polypeptide receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Geminin Potency 562.3 nM None
Homo sapiens Ghrelin receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Glucagon-like peptide 1 receptor %Inhib (Mean) -39.97 % 10.6019/CHEMBL5209801
Homo sapiens Glucagon-like peptide 1 receptor %Max (Mean) -3.168 % 10.6019/CHEMBL5209801
Homo sapiens Glucagon receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Glucocorticoid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Glucocorticoid receptor IC50 nan None None
Homo sapiens Glucocorticoid receptor Ki nan None None
Homo sapiens Glucose-dependent insulinotropic receptor %Inhib (Mean) -12.35 % 10.6019/CHEMBL5209801
Homo sapiens Glucose-dependent insulinotropic receptor %Max (Mean) -2.472 % 10.6019/CHEMBL5209801
Homo sapiens Glycogen synthase kinase-3 beta Delta TM -0.29 C None
Homo sapiens G-protein coupled receptor 120 %Inhib (Mean) -75.45 % 10.6019/CHEMBL5209801
Homo sapiens G-protein coupled receptor 120 %Max (Mean) 1.772 % 10.6019/CHEMBL5209801
Homo sapiens G-protein coupled receptor 35 %Inhib (Mean) -27.58 % 10.6019/CHEMBL5209801
Homo sapiens G-protein coupled receptor 35 %Max (Mean) 1.634 % 10.6019/CHEMBL5209801
Homo sapiens HCT-116 GI50 100000.0 nM None
Homo sapiens HCT-116 IC50 30000.0 nM 10.1016/j.ejmech.2020.113027
Homo sapiens HCT-15 GI50 77446.18 nM None
Homo sapiens HEK-293T Growth Rate 0.52 None 10.6019/CHEMBL5058564
Homo sapiens HEK-293T Growth Rate 0.8 None 10.6019/CHEMBL5058564
Homo sapiens HEK-293T Growth Rate 0.93 None 10.6019/CHEMBL5058564
Homo sapiens HEK-293T Growth Rate 0.94 None 10.6019/CHEMBL5058564
Homo sapiens HepG2 Activity 71.8 % 10.1021/acs.jmedchem.6b01178
Homo sapiens HepG2 Activity 72.3 % 10.1021/acs.jmedchem.6b01178
Homo sapiens HepG2 Activity 91.4 % 10.1021/acs.jmedchem.6b01178
Homo sapiens HepG2 IC50 30000.0 nM 10.1016/j.ejmech.2020.113027
Homo sapiens HepG2 IC50 271000.0 nM 10.1016/j.bmc.2012.12.017
Homo sapiens HERG AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens HERG IC50 nan None None
Homo sapiens HERG Ki nan None None
Homo sapiens HGC-27 IC50 30000.0 nM 10.1016/j.ejmech.2020.113027
Homo sapiens Histamine H1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H1 receptor IC50 nan None None
Homo sapiens Histamine H1 receptor Ki nan None None
Homo sapiens Histamine H2 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H2 receptor IC50 nan None None
Homo sapiens Histamine H2 receptor Ki nan None None
Homo sapiens Histamine H3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H3 receptor Ki 0.5 nM 10.1021/acs.jmedchem.9b00937
Homo sapiens Histone deacetylase 6 Inhibition -4.64 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition 0.8 % 10.6019/CHEMBL4808148
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 10000.0 nM None
Homo sapiens HL-60 GI50 100000.0 nM None
Homo sapiens HMG-CoA reductase IC50 nan None None
Homo sapiens HMG-CoA reductase Ki nan None None
Homo sapiens Homo sapiens Activity 2.79 uM/L 10.1016/j.ejmech.2008.12.017
Homo sapiens Homo sapiens Activity 3.09 uM/L 10.1016/j.ejmech.2008.12.017
Homo sapiens Homo sapiens Activity 4.02 uM/L 10.1016/j.ejmech.2008.12.017
Homo sapiens Homo sapiens Activity nan None 10.1016/j.ejmech.2008.12.017
Homo sapiens HOP-18 GI50 100000.0 nM None
Homo sapiens HOP-62 GI50 100000.0 nM None
Homo sapiens HOP-92 GI50 100000.0 nM None
Homo sapiens HT-29 GI50 69023.98 nM None
Homo sapiens Hydroxycarboxylic acid receptor 2 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens IGROV-1 GI50 100000.0 nM None
Homo sapiens Interleukin-8 Potency 74978.0 nM None
Homo sapiens Interleukin-8 receptor A IC50 nan None None
Homo sapiens Interleukin-8 receptor A Ki nan None None
Homo sapiens Interleukin-8 receptor B IC50 nan None None
Homo sapiens Interleukin-8 receptor B Ki nan None None
Homo sapiens K562 GI50 39084.09 nM None
Homo sapiens Kappa opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Kappa opioid receptor IC50 nan None None
Homo sapiens Kappa opioid receptor Ki nan None None
Homo sapiens KM12 GI50 100000.0 nM None
Homo sapiens KM-20L2 GI50 100000.0 nM None
Homo sapiens Leukocyte common antigen IC50 nan None None
Homo sapiens Leukocyte common antigen Ki nan None None
Homo sapiens Leukocyte elastase IC50 nan None None
Homo sapiens Leukocyte elastase Ki nan None None
Homo sapiens Lipoxin A4 receptor %Inhib (Mean) -28.76 % 10.6019/CHEMBL5209801
Homo sapiens Lipoxin A4 receptor %Max (Mean) -2.849 % 10.6019/CHEMBL5209801
Homo sapiens Liver microsomes CL 25.5 mL.min-1.kg-1 10.1016/j.bmc.2012.10.060
Homo sapiens Liver microsomes T1/2 1.22 hr 10.1016/j.bmc.2012.10.060
Homo sapiens LNCaP IC50 nan None 10.1021/jm801335z
Homo sapiens LOX IMVI GI50 39810.72 nM None
Homo sapiens LXFL 529 GI50 100000.0 nM None
Homo sapiens Lymphoblastoid cell Potency 31622.8 nM None
Homo sapiens Lymphoblastoid cell Potency 39810.7 nM None
Homo sapiens Lymphoblastoid cell Potency 50118.7 nM None
Homo sapiens Lymphoblastoid cell Potency 63095.7 nM None
Homo sapiens Lymphoblastoid cell Potency 79432.8 nM None
Homo sapiens Lysine-specific demethylase 4D-like Potency 22387.2 nM None
Homo sapiens M14 GI50 100000.0 nM None
Homo sapiens M19-MEL GI50 100000.0 nM None
Homo sapiens Malme-3M GI50 100000.0 nM None
Homo sapiens MAP kinase ERK1 IC50 nan None None
Homo sapiens MAP kinase ERK1 Ki nan None None
Homo sapiens MAP kinase ERK2 Delta TM 0.05 C None
Homo sapiens MAP kinase ERK2 IC50 nan None None
Homo sapiens MAP kinase ERK2 Ki nan None None
Homo sapiens MAP kinase p38 alpha IC50 nan None None
Homo sapiens MAP kinase p38 alpha Ki nan None None
Homo sapiens Matrix metalloproteinase-1 IC50 nan None None
Homo sapiens Matrix metalloproteinase-1 Ki nan None None
Homo sapiens Matrix metalloproteinase 9 IC50 nan None None
Homo sapiens Matrix metalloproteinase 9 Ki nan None None
Homo sapiens MCF7 Efficacy 87.0 % 10.1021/acs.jnatprod.7b00853
Homo sapiens MCF7 IC50 30000.0 nM 10.1016/j.ejmech.2020.113027
Homo sapiens MCF7 IC50 18000000.0 nM 10.1021/acs.jnatprod.7b00853
Homo sapiens MCF7 IC50 nan None 10.1021/jm801335z
Homo sapiens MDA-MB-231 Efficacy 92.0 % 10.1021/acs.jnatprod.7b00853
Homo sapiens MDA-MB-231 IC50 900.0 nM 10.1021/acs.jnatprod.7b00853
Homo sapiens Melanocortin receptor 3 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Melanocortin receptor 3 IC50 nan None None
Homo sapiens Melanocortin receptor 3 Ki nan None None
Homo sapiens Melanocortin receptor 4 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Melanocortin receptor 4 IC50 nan None None
Homo sapiens Melanocortin receptor 4 Ki nan None None
Homo sapiens Melanocortin receptor 5 IC50 nan None None
Homo sapiens Melanocortin receptor 5 Ki nan None None
Homo sapiens Melatonin receptor Activity nan None 10.1016/0960-894X(96)00175-8
Homo sapiens Melatonin receptor Activity nan None 10.1021/jm00046a006
Homo sapiens Melatonin receptor Activity nan None 10.1021/jm00077a010
Homo sapiens Melatonin receptor cAMP activity index 1.0 None 10.1021/jm00046a006
Homo sapiens Melatonin receptor IC50 0.017 nM 10.1021/jm00072a008
Homo sapiens Melatonin receptor IC50 0.157 nM 10.1021/jm00046a006
Homo sapiens Melatonin receptor IC50 2.2 nM 10.1021/jm960651z
Homo sapiens Melatonin receptor IC50 2.2 nM 10.1021/jm960653j
Homo sapiens Melatonin receptor IC50 2.2 nM 10.1021/jm9810093
Homo sapiens Melatonin receptor IC50 2.98 nM 10.1021/jm960653j
Homo sapiens Melatonin receptor IC50 3.11 nM 10.1021/jm960651z
Homo sapiens Melatonin receptor IC50 13.1 nM 10.1021/jm960653j
Homo sapiens Melatonin receptor IC50 15.2 nM 10.1021/jm960651z
Homo sapiens Melatonin receptor Index 1.0 None 10.1021/jm960651z
Homo sapiens Melatonin receptor Index 1.0 None 10.1021/jm960653j
Homo sapiens Melatonin receptor Ka 8.5 None 10.1021/jm00077a010
Homo sapiens Melatonin receptor Kd 9.15e-11 None 10.1021/jm00046a006
Homo sapiens Melatonin receptor Kd 9.15 l M-1 10.1021/jm00086a018
Homo sapiens Melatonin receptor Ki 0.0823 nM 10.1021/jm020114g
Homo sapiens Melatonin receptor Ki 0.0823 nM 10.1021/jm0201159
Homo sapiens Melatonin receptor Ki 0.0915 nM 10.1016/0960-894X(96)00175-8
Homo sapiens Melatonin receptor Ki 0.14 nM 10.1016/j.bmcl.2014.05.053
Homo sapiens Melatonin receptor Ki 0.41 nM 10.1016/j.bmcl.2014.05.053
Homo sapiens Melatonin receptor Ki 0.61 nM 10.1016/j.ejmech.2019.111847
Homo sapiens Melatonin receptor Ki 0.61 nM 10.1021/jm960651z
Homo sapiens Melatonin receptor Ki 0.61 nM 10.1021/jm960653j
Homo sapiens Melatonin receptor Ki 0.61 nM 10.1021/jm9810093
Homo sapiens Melatonin receptor Ki 1.1 nM 10.1021/jm00077a010
Homo sapiens Melatonin receptor pKi1-pKi2 -0.01 None 10.1021/jm001125h
Homo sapiens Melatonin receptor Ratio 0.4 None 10.1021/jm0005252
Homo sapiens Melatonin receptor Ratio 0.7 None 10.1016/j.bmcl.2003.12.052
Homo sapiens Melatonin receptor Ratio 0.75 None 10.1016/j.bmcl.2004.04.082
Homo sapiens Melatonin receptor Ratio 1.0 None 10.1021/jm960651z
Homo sapiens Melatonin receptor Ratio 1.0 None 10.1021/jm960653j
Homo sapiens Melatonin receptor Ratio 1.6 None 10.1016/j.bmcl.2003.11.030
Homo sapiens Melatonin receptor Ratio 3.0 None 10.1021/jm0255872
Homo sapiens Melatonin receptor Ratio Ki 1.1 None 10.1021/jm0512544
Homo sapiens Melatonin receptor Ratio pKi 0.8 None 10.1016/j.bmc.2007.04.013
Homo sapiens Melatonin receptor Ratio pKi 1.1 None 10.1016/j.ejmech.2007.01.005
Homo sapiens Melatonin receptor Relative potency 1.0 None 10.1021/jm00072a008
Homo sapiens Melatonin receptor Selectivity 2.0 None 10.1021/jm980684+
Homo sapiens Melatonin receptor 1A Activity nan None 10.1021/acs.jmedchem.0c01836
Homo sapiens Melatonin receptor 1A Activity nan None 10.1021/jm0512544
Homo sapiens Melatonin receptor 1A Activity nan None 10.1021/jm970721h
Homo sapiens Melatonin receptor 1A EC50 0.022 nM 10.1021/acs.jmedchem.0c01836
Homo sapiens Melatonin receptor 1A EC50 0.0257 nM 10.1021/jm200221q
Homo sapiens Melatonin receptor 1A EC50 0.026 nM 10.1021/jm200385u
Homo sapiens Melatonin receptor 1A EC50 0.06918 nM 10.1021/acs.jmedchem.2c00717
Homo sapiens Melatonin receptor 1A EC50 0.098 nM 10.1021/acs.jmedchem.5b00245
Homo sapiens Melatonin receptor 1A EC50 0.11 nM 10.1021/acs.jmedchem.0c00627
Homo sapiens Melatonin receptor 1A EC50 1.0 nM 10.1016/j.bmc.2019.06.008
Homo sapiens Melatonin receptor 1A EC50 1.5 nM 10.1016/j.bmcl.2011.02.097
Homo sapiens Melatonin receptor 1A EC50 1.92 nM 10.1021/jm0005252
Homo sapiens Melatonin receptor 1A EC50 2.2 nM 10.1016/j.bmc.2010.04.008
Homo sapiens Melatonin receptor 1A EC50 2.24 nM 10.1021/jm0255872
Homo sapiens Melatonin receptor 1A ECmax 101.0 % 10.1016/j.bmcl.2011.02.097
Homo sapiens Melatonin receptor 1A Emax 100.0 % 10.1021/jm0005252
Homo sapiens Melatonin receptor 1A Emax 110.0 % 10.1016/j.bmc.2010.04.008
Homo sapiens Melatonin receptor 1A Emax 110.0 % 10.1021/jm0255872
Homo sapiens Melatonin receptor 1A G-protein activation 325.0 None 10.1021/jm970721h
Homo sapiens Melatonin receptor 1A GTP-gammaS index 1.0 None 10.1021/jm970721h
Homo sapiens Melatonin receptor 1A IAr 1.0 None 10.1021/jm001125h
Homo sapiens Melatonin receptor 1A IAr 1.0 None 10.1021/jm040768k
Homo sapiens Melatonin receptor 1A IC50 0.11 nM 10.1016/j.bmc.2016.03.006
Homo sapiens Melatonin receptor 1A IC50 0.11 nM 10.1016/j.bmc.2016.11.014
Homo sapiens Melatonin receptor 1A IC50 0.18 nM 10.1021/jm8007618
Homo sapiens Melatonin receptor 1A IC50 0.2 nM 10.1016/j.bmc.2008.03.036
Homo sapiens Melatonin receptor 1A IC50 0.2 nM 10.1016/j.ejmech.2011.02.010
Homo sapiens Melatonin receptor 1A IC50 0.44 nM 10.1016/j.ejmech.2013.01.044
Homo sapiens Melatonin receptor 1A IC50 0.53 nM 10.1016/j.bmc.2013.03.016
Homo sapiens Melatonin receptor 1A IC50 0.6 nM 10.1016/s0960-894x(03)00090-8
Homo sapiens Melatonin receptor 1A IC50 1.0 nM 10.1021/jm980026p
Homo sapiens Melatonin receptor 1A Imax nan None 10.1016/j.bmc.2010.04.008
Homo sapiens Melatonin receptor 1A Inhibition 100.0 % 10.1016/j.ejmech.2015.09.003
Homo sapiens Melatonin receptor 1A Intrinsic activity 1.0 None 10.1021/jm020982d
Homo sapiens Melatonin receptor 1A Intrinsic activity 1.0 None 10.1021/jm700957j
Homo sapiens Melatonin receptor 1A Kb nan nM 10.1021/jm0255872
Homo sapiens Melatonin receptor 1A Kb nan None 10.1016/j.bmc.2010.04.008
Homo sapiens Melatonin receptor 1A Kd 0.15 nM 10.1039/C5MD00190K
Homo sapiens Melatonin receptor 1A Ki 0.08 nM 10.1021/jm970437q
Homo sapiens Melatonin receptor 1A Ki 0.0823 nM 10.1021/jm0201159
Homo sapiens Melatonin receptor 1A Ki 0.091 nM 10.1016/j.ejmech.2015.09.003
Homo sapiens Melatonin receptor 1A Ki 0.091 nM 10.1021/acs.jmedchem.5b00245
Homo sapiens Melatonin receptor 1A Ki 0.11 nM 10.1021/jm8007618
Homo sapiens Melatonin receptor 1A Ki 0.12 nM 10.1016/j.ejmech.2016.12.013
Homo sapiens Melatonin receptor 1A Ki 0.12 nM 10.1021/jm0005252
Homo sapiens Melatonin receptor 1A Ki 0.12 nM 10.1021/jm011053+
Homo sapiens Melatonin receptor 1A Ki 0.13 nM 10.1016/S0960-894X(97)00392-2
Homo sapiens Melatonin receptor 1A Ki 0.14 nM 10.1016/j.bmc.2008.08.052
Homo sapiens Melatonin receptor 1A Ki 0.14 nM 10.1016/j.ejmech.2014.09.038
Homo sapiens Melatonin receptor 1A Ki 0.14 nM 10.1021/jm0255872
Homo sapiens Melatonin receptor 1A Ki 0.1413 nM 10.1021/jm700957j
Homo sapiens Melatonin receptor 1A Ki 0.166 nM 10.1021/jm020982d
Homo sapiens Melatonin receptor 1A Ki 0.18 nM 10.1021/acs.jmedchem.0c00627
Homo sapiens Melatonin receptor 1A Ki 0.2 nM 10.1016/j.bmc.2007.03.080
Homo sapiens Melatonin receptor 1A Ki 0.2 nM 10.1016/j.bmcl.2012.11.069
Homo sapiens Melatonin receptor 1A Ki 0.2 nM 10.1016/S0960-894X(97)00444-7
Homo sapiens Melatonin receptor 1A Ki 0.2 nM 10.1021/jm000922c
Homo sapiens Melatonin receptor 1A Ki 0.2042 nM 10.1016/j.ejmech.2019.111847
Homo sapiens Melatonin receptor 1A Ki 0.2042 nM 10.1021/acs.jmedchem.8b00893
Homo sapiens Melatonin receptor 1A Ki 0.22 nM 10.1016/j.ejmech.2011.02.044
Homo sapiens Melatonin receptor 1A Ki 0.23 nM 10.1016/j.ejmech.2015.12.047
Homo sapiens Melatonin receptor 1A Ki 0.24 nM 10.1021/acs.jmedchem.0c01836
Homo sapiens Melatonin receptor 1A Ki 0.24 nM 10.1021/jm200221q
Homo sapiens Melatonin receptor 1A Ki 0.24 nM 10.1021/jm200385u
Homo sapiens Melatonin receptor 1A Ki 0.25 nM 10.1016/j.bmcl.2011.02.097
Homo sapiens Melatonin receptor 1A Ki 0.25 nM 10.1016/j.ejmech.2011.06.030
Homo sapiens Melatonin receptor 1A Ki 0.25 nM 10.1016/j.ejmech.2016.01.008
Homo sapiens Melatonin receptor 1A Ki 0.263 nM 10.1016/j.bmc.2007.04.013
Homo sapiens Melatonin receptor 1A Ki 0.263 nM 10.1016/j.bmc.2011.06.063
Homo sapiens Melatonin receptor 1A Ki 0.27 nM 10.1016/j.ejmech.2020.112090
Homo sapiens Melatonin receptor 1A Ki 0.2754 nM 10.1021/acs.jmedchem.2c00717
Homo sapiens Melatonin receptor 1A Ki 0.2884 nM 10.1021/jm001125h
Homo sapiens Melatonin receptor 1A Ki 0.2884 nM 10.1021/jm040768k
Homo sapiens Melatonin receptor 1A Ki 0.2884 nM 10.1021/jm048956y
Homo sapiens Melatonin receptor 1A Ki 0.2951 nM 10.1021/jm970721h
Homo sapiens Melatonin receptor 1A Ki 0.296 nM 10.1016/j.bmc.2012.10.060
Homo sapiens Melatonin receptor 1A Ki 0.296 nM 10.1016/j.bmcl.2010.02.084
Homo sapiens Melatonin receptor 1A Ki 0.3 nM 10.1016/j.bmcl.2004.07.055
Homo sapiens Melatonin receptor 1A Ki 0.3 nM 10.1016/j.bmcl.2005.01.015
Homo sapiens Melatonin receptor 1A Ki 0.3037 nM 10.1021/acs.jnatprod.7b00853
Homo sapiens Melatonin receptor 1A Ki 0.3236 nM 10.1021/jm060850a
Homo sapiens Melatonin receptor 1A Ki 0.3311 nM 10.1016/j.bmc.2010.06.100
Homo sapiens Melatonin receptor 1A Ki 0.35 nM 10.1016/j.ejmech.2013.01.044
Homo sapiens Melatonin receptor 1A Ki 0.37 nM 10.1021/jm2006782
Homo sapiens Melatonin receptor 1A Ki 0.389 nM 10.1016/j.ejmech.2007.01.005
Homo sapiens Melatonin receptor 1A Ki 0.39 nM 10.1021/jm0512544
Homo sapiens Melatonin receptor 1A Ki 0.4 nM 10.1016/j.bmcl.2003.09.030
Homo sapiens Melatonin receptor 1A Ki 0.4 nM 10.1016/j.bmcl.2003.12.052
Homo sapiens Melatonin receptor 1A Ki 0.4 nM 10.1016/j.bmcl.2004.04.082
Homo sapiens Melatonin receptor 1A Ki 0.4571 nM 10.1016/j.bmc.2009.04.068
Homo sapiens Melatonin receptor 1A Ki 0.4571 nM 10.1021/jm800974d
Homo sapiens Melatonin receptor 1A Ki 0.4571 nM 10.1039/C1MD00149C
Homo sapiens Melatonin receptor 1A Ki 0.4571 nM 10.1039/C5MD00190K
Homo sapiens Melatonin receptor 1A Ki 0.46 nM 10.1016/j.ejmech.2019.111847
Homo sapiens Melatonin receptor 1A Ki 0.525 nM 10.1016/j.bmc.2008.07.012
Homo sapiens Melatonin receptor 1A Ki 0.53 nM 10.1016/j.bmcl.2003.11.030
Homo sapiens Melatonin receptor 1A Ki 0.66 nM 10.1016/j.ejmech.2019.111847
Homo sapiens Melatonin receptor 1A Ki 0.66 nM 10.1021/jm980684+
Homo sapiens Melatonin receptor 1A Ki 0.88 nM 10.1016/j.ejmech.2019.111847
Homo sapiens Melatonin receptor 1A pRA 0.0 None 10.1021/jm970721h
Homo sapiens Melatonin receptor 1A pRA1 0.0 None 10.1021/jm020982d
Homo sapiens Melatonin receptor 1A Ratio 0.97 None 10.1021/jm0201159
Homo sapiens Melatonin receptor 1A RBA nan None 10.1021/acs.jmedchem.0c00627
Homo sapiens Melatonin receptor 1A Relative affinity 1.0 None 10.1021/jm970721h
Homo sapiens Melatonin receptor 1A Relative intrinsic activity 1.0 None 10.1021/jm970721h
Homo sapiens Melatonin receptor 1B Activity nan None 10.1021/acs.jmedchem.0c01836
Homo sapiens Melatonin receptor 1B EC50 0.069 nM 10.1021/acs.jmedchem.5b00245
Homo sapiens Melatonin receptor 1B EC50 0.07 nM 10.1021/acs.jmedchem.0c00627
Homo sapiens Melatonin receptor 1B EC50 0.1738 nM 10.1021/acs.jmedchem.2c00717
Homo sapiens Melatonin receptor 1B EC50 0.42 nM 10.1016/j.bmcl.2011.02.097
Homo sapiens Melatonin receptor 1B EC50 0.47 nM 10.1021/jm0005252
Homo sapiens Melatonin receptor 1B EC50 0.49 nM 10.1016/j.bmc.2008.08.052
Homo sapiens Melatonin receptor 1B EC50 0.49 nM 10.1016/j.bmc.2010.04.008
Homo sapiens Melatonin receptor 1B EC50 0.49 nM 10.1021/jm0255872
Homo sapiens Melatonin receptor 1B EC50 0.82 nM 10.1021/jm200385u
Homo sapiens Melatonin receptor 1B EC50 0.85 nM 10.1021/acs.jmedchem.0c01836
Homo sapiens Melatonin receptor 1B EC50 0.8511 nM 10.1021/jm200221q
Homo sapiens Melatonin receptor 1B EC50 25.0 nM 10.1016/j.bmc.2019.06.008
Homo sapiens Melatonin receptor 1B ECmax 102.0 % 10.1016/j.bmcl.2011.02.097
Homo sapiens Melatonin receptor 1B Emax 100.0 % 10.1021/jm0005252
Homo sapiens Melatonin receptor 1B Emax 104.0 % 10.1016/j.bmc.2010.04.008
Homo sapiens Melatonin receptor 1B Emax 104.0 % 10.1021/jm0255872
Homo sapiens Melatonin receptor 1B IA 1.0 None 10.1021/jm048956y
Homo sapiens Melatonin receptor 1B IAr 1.0 None 10.1021/jm001125h
Homo sapiens Melatonin receptor 1B IAr 1.0 None 10.1021/jm040768k
Homo sapiens Melatonin receptor 1B IC50 0.3 nM 10.1016/s0960-894x(03)00090-8
Homo sapiens Melatonin receptor 1B IC50 0.53 nM 10.1016/j.bmc.2008.03.036
Homo sapiens Melatonin receptor 1B IC50 0.53 nM 10.1016/j.ejmech.2011.02.010
Homo sapiens Melatonin receptor 1B Imax nan None 10.1016/j.bmc.2010.04.008
Homo sapiens Melatonin receptor 1B Inhibition 100.0 % 10.1016/j.ejmech.2015.09.003
Homo sapiens Melatonin receptor 1B Intrinsic activity 1.0 None 10.1021/jm020982d
Homo sapiens Melatonin receptor 1B Intrinsic activity 1.01 None 10.1021/jm700957j
Homo sapiens Melatonin receptor 1B Kb nan nM 10.1021/jm0255872
Homo sapiens Melatonin receptor 1B Kb nan None 10.1016/j.bmc.2008.08.052
Homo sapiens Melatonin receptor 1B Kb nan None 10.1016/j.bmc.2010.04.008
Homo sapiens Melatonin receptor 1B Kd 0.15 nM 10.1039/C5MD00190K
Homo sapiens Melatonin receptor 1B Ki 0.12 nM 10.1021/acs.jmedchem.0c00627
Homo sapiens Melatonin receptor 1B Ki 0.12 nM 10.1021/jm970437q
Homo sapiens Melatonin receptor 1B Ki 0.13 nM 10.1016/j.ejmech.2020.112090
Homo sapiens Melatonin receptor 1B Ki 0.15 nM 10.1016/j.ejmech.2015.09.003
Homo sapiens Melatonin receptor 1B Ki 0.15 nM 10.1021/acs.jmedchem.5b00245
Homo sapiens Melatonin receptor 1B Ki 0.1738 nM 10.1021/acs.jmedchem.2c00717
Homo sapiens Melatonin receptor 1B Ki 0.18 nM 10.1016/j.ejmech.2019.111847
Homo sapiens Melatonin receptor 1B Ki 0.195 nM 10.1021/jm0201159
Homo sapiens Melatonin receptor 1B Ki 0.21 nM 10.1021/acs.jmedchem.0c01836
Homo sapiens Melatonin receptor 1B Ki 0.21 nM 10.1021/jm200221q
Homo sapiens Melatonin receptor 1B Ki 0.21 nM 10.1021/jm200385u
Homo sapiens Melatonin receptor 1B Ki 0.23 nM 10.1016/S0960-894X(97)00392-2
Homo sapiens Melatonin receptor 1B Ki 0.2399 nM 10.1021/jm700957j
Homo sapiens Melatonin receptor 1B Ki 0.257 nM 10.1021/jm060850a
Homo sapiens Melatonin receptor 1B Ki 0.2818 nM 10.1021/jm001125h
Homo sapiens Melatonin receptor 1B Ki 0.2818 nM 10.1021/jm040768k
Homo sapiens Melatonin receptor 1B Ki 0.2818 nM 10.1021/jm048956y
Homo sapiens Melatonin receptor 1B Ki 0.2884 nM 10.1021/acs.jmedchem.8b00893
Homo sapiens Melatonin receptor 1B Ki 0.29 nM 10.1016/S0960-894X(97)00444-7
Homo sapiens Melatonin receptor 1B Ki 0.2951 nM 10.1021/jm020982d
Homo sapiens Melatonin receptor 1B Ki 0.3 nM 10.1016/j.bmc.2007.03.080
Homo sapiens Melatonin receptor 1B Ki 0.3 nM 10.1016/j.bmcl.2003.09.030
Homo sapiens Melatonin receptor 1B Ki 0.3 nM 10.1016/j.bmcl.2003.12.052
Homo sapiens Melatonin receptor 1B Ki 0.3 nM 10.1016/j.bmcl.2004.04.082
Homo sapiens Melatonin receptor 1B Ki 0.302 nM 10.1016/j.ejmech.2019.111847
Homo sapiens Melatonin receptor 1B Ki 0.31 nM 10.1016/j.ejmech.2016.12.013
Homo sapiens Melatonin receptor 1B Ki 0.31 nM 10.1021/jm0005252
Homo sapiens Melatonin receptor 1B Ki 0.31 nM 10.1021/jm011053+
Homo sapiens Melatonin receptor 1B Ki 0.32 nM 10.1016/j.bmcl.2003.11.030
Homo sapiens Melatonin receptor 1B Ki 0.33 nM 10.1016/j.ejmech.2019.111847
Homo sapiens Melatonin receptor 1B Ki 0.33 nM 10.1021/jm980684+
Homo sapiens Melatonin receptor 1B Ki 0.3388 nM 10.1016/j.bmc.2007.04.013
Homo sapiens Melatonin receptor 1B Ki 0.3388 nM 10.1016/j.bmc.2011.06.063
Homo sapiens Melatonin receptor 1B Ki 0.34 nM 10.1016/j.bmcl.2011.02.097
Homo sapiens Melatonin receptor 1B Ki 0.34 nM 10.1016/j.ejmech.2011.06.030
Homo sapiens Melatonin receptor 1B Ki 0.34 nM 10.1016/j.ejmech.2016.01.008
Homo sapiens Melatonin receptor 1B Ki 0.35 nM 10.1016/j.ejmech.2011.02.044
Homo sapiens Melatonin receptor 1B Ki 0.35 nM 10.1021/jm0512544
Homo sapiens Melatonin receptor 1B Ki 0.3548 nM 10.1016/j.ejmech.2007.01.005
Homo sapiens Melatonin receptor 1B Ki 0.41 nM 10.1016/j.bmc.2008.08.052
Homo sapiens Melatonin receptor 1B Ki 0.41 nM 10.1016/j.ejmech.2014.09.038
Homo sapiens Melatonin receptor 1B Ki 0.41 nM 10.1021/jm0255872
Homo sapiens Melatonin receptor 1B Ki 0.429 nM 10.1016/j.bmc.2012.10.060
Homo sapiens Melatonin receptor 1B Ki 0.429 nM 10.1016/j.bmcl.2010.02.084
Homo sapiens Melatonin receptor 1B Ki 0.5 nM 10.1016/j.bmcl.2012.11.069
Homo sapiens Melatonin receptor 1B Ki 0.52 nM 10.1016/j.ejmech.2015.12.047
Homo sapiens Melatonin receptor 1B Ki 0.53 nM 10.1021/jm000922c
Homo sapiens Melatonin receptor 1B Ki 0.6166 nM 10.1016/j.bmc.2010.06.100
Homo sapiens Melatonin receptor 1B Ki 0.7 nM 10.1016/j.bmcl.2004.07.055
Homo sapiens Melatonin receptor 1B Ki 0.7 nM 10.1016/j.bmcl.2005.01.015
Homo sapiens Melatonin receptor 1B Ki 0.741 nM 10.1016/j.bmc.2008.07.012
Homo sapiens Melatonin receptor 1B Ki 0.95 nM 10.1016/j.ejmech.2019.111847
Homo sapiens Melatonin receptor 1B Ki 0.955 nM 10.1016/j.bmc.2009.04.068
Homo sapiens Melatonin receptor 1B Ki 0.955 nM 10.1021/jm800974d
Homo sapiens Melatonin receptor 1B Ki 0.955 nM 10.1039/C1MD00149C
Homo sapiens Melatonin receptor 1B Ki 0.955 nM 10.1039/C5MD00190K
Homo sapiens Melatonin receptor 1B pRA2 0.0 None 10.1021/jm020982d
Homo sapiens Melatonin receptor 1B RBA nan None 10.1021/acs.jmedchem.0c00627
Homo sapiens Menin/Histone-lysine N-methyltransferase MLL Potency 12589.3 nM None
Homo sapiens MGC-803 IC50 30000.0 nM 10.1016/j.ejmech.2020.113027
Homo sapiens MOLT-4 GI50 100000.0 nM None
Homo sapiens Monoamine oxidase A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Monoamine oxidase A IC50 nan None 10.1016/j.bmc.2017.05.027
Homo sapiens Monoamine oxidase A IC50 nan None 10.1021/acs.jmedchem.1c01883
Homo sapiens Monoamine oxidase A IC50 nan None None
Homo sapiens Monoamine oxidase A Ki nan None None
Homo sapiens Monoamine oxidase B IC50 nan None 10.1016/j.bmc.2017.05.027
Homo sapiens Monoamine oxidase B IC50 nan None 10.1021/acs.jmedchem.1c01883
Homo sapiens Motilin receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens M-phase phosphoprotein 8 Potency 177.8 nM None
Homo sapiens Multidrug resistance-associated protein 4 IC50 133000.0 nM 10.1093/toxsci/kft176
Homo sapiens Mu opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Mu opioid receptor IC50 nan None None
Homo sapiens Mu opioid receptor Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M1 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M1 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M2 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M2 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M2 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M3 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M3 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M3 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M4 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M4 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M5 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M5 Ki nan None None
Homo sapiens Myeloperoxidase IC50 3000.0 nM 10.1016/j.bmcl.2018.11.031
Homo sapiens NCI-H23 GI50 100000.0 nM None
Homo sapiens NCI-H322M GI50 100000.0 nM None
Homo sapiens NCI-H460 GI50 100000.0 nM None
Homo sapiens NCI-H522 GI50 100000.0 nM None
Homo sapiens Neurokinin 1 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neurokinin 1 receptor IC50 nan None None
Homo sapiens Neurokinin 1 receptor Ki nan None None
Homo sapiens Neurokinin 2 receptor IC50 nan None None
Homo sapiens Neurokinin 2 receptor Ki nan None None
Homo sapiens Neuronal acetylcholine receptor protein alpha-4 subunit AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neuropeptide Y receptor type 1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neuropeptide Y receptor type 1 IC50 nan None None
Homo sapiens Neuropeptide Y receptor type 1 Ki nan None None
Homo sapiens Neuropeptide Y receptor type 2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neuropeptide Y receptor type 2 IC50 nan None None
Homo sapiens Neuropeptide Y receptor type 2 Ki nan None None
Homo sapiens Neurotensin receptor 1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Nitric-oxide synthase, brain Inhibition nan % 10.1016/j.ejmech.2008.11.013
Homo sapiens Norepinephrine transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Norepinephrine transporter IC50 nan None None
Homo sapiens Norepinephrine transporter Ki nan None None
Homo sapiens Nuclear factor erythroid 2-related factor 2 Activity nan None 10.1021/acs.jmedchem.6b01178
Homo sapiens Nuclear factor erythroid 2-related factor 2 CD 60.0 uM 10.1021/acs.jmedchem.6b01178
Homo sapiens Nuclear factor erythroid 2-related factor 2 CD nan None 10.1021/acs.jmedchem.1c01883
Homo sapiens Nuclear receptor ROR-gamma Potency 42163.2 nM None
Homo sapiens Nuclear receptor ROR-gamma Potency 74978.0 nM None
Homo sapiens OVCAR-3 GI50 100000.0 nM None
Homo sapiens OVCAR-4 GI50 100000.0 nM None
Homo sapiens OVCAR-5 GI50 100000.0 nM None
Homo sapiens OVCAR-8 GI50 100000.0 nM None
Homo sapiens Palmitoleoyl-protein carboxylesterase NOTUM IC50 75400.0 nM 10.1021/acs.jmedchem.0c01974
Homo sapiens Peregrin Delta TM -1.41 C None
Homo sapiens Peripheral myelin protein 22 Potency 84921.4 nM None
Homo sapiens Phosphodiesterase 3A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 4A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 4D AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 5A IC50 nan None None
Homo sapiens Phosphodiesterase 5A Ki nan None None
Homo sapiens Platelet activating factor receptor IC50 nan None None
Homo sapiens Platelet activating factor receptor Ki nan None None
Homo sapiens Pregnane X receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Prelamin-A/C Potency 0.8 nM None
Homo sapiens Progesterone receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Protein kinase C alpha IC50 nan None None
Homo sapiens Protein kinase C alpha Ki nan None None
Homo sapiens Quinone reductase 2 IC50 64.57 nM 10.1016/j.ejmech.2008.02.012
Homo sapiens Quinone reductase 2 IC50 64.6 nM 10.1016/j.ejmech.2011.02.010
Homo sapiens Quinone reductase 2 IC50 6600.0 nM 10.1016/j.bmcl.2012.10.005
Homo sapiens Quinone reductase 2 IC50 6600.0 nM 10.1016/j.bmcl.2017.06.065
Homo sapiens Quinone reductase 2 IC50 11300.0 nM 10.1016/j.bmcl.2012.10.005
Homo sapiens Quinone reductase 2 IC50 11300.0 nM 10.1021/jm801335z
Homo sapiens Quinone reductase 2 Imax 75.0 % 10.1016/j.bmcl.2012.10.005
Homo sapiens Quinone reductase 2 Imax 85.2 % 10.1016/j.bmcl.2012.10.005
Homo sapiens Quinone reductase 2 Imax 85.2 % 10.1016/j.bmcl.2017.06.065
Homo sapiens Quinone reductase 2 Ki 27.6 nM 10.1021/jm020114g
Homo sapiens Quinone reductase 2 Ki 56.9 nM 10.1021/jm011053+
Homo sapiens Ras-related protein Rab-9A Potency 14125.4 nM None
Homo sapiens Receptor protein-tyrosine kinase erbB-2 IC50 nan None None
Homo sapiens Receptor protein-tyrosine kinase erbB-2 Ki nan None None
Homo sapiens Regulator of G-protein signaling 4 Potency 2119.2 nM None
Homo sapiens RPMI-8226 GI50 22080.05 nM None
Homo sapiens RXF 393 GI50 100000.0 nM None
Homo sapiens Serine/threonine-protein kinase Aurora-A Delta TM -0.21 C None
Homo sapiens Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform IC50 nan None None
Homo sapiens Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform Ki nan None None
Homo sapiens Serotonin 1a (5-HT1a) receptor AC50 9646.5 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 1a (5-HT1a) receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 1a (5-HT1a) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2a (5-HT2a) receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2a (5-HT2a) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2a (5-HT2a) receptor IC50 nan None None
Homo sapiens Serotonin 2a (5-HT2a) receptor Ki nan None None
Homo sapiens Serotonin 2b (5-HT2b) receptor AC50 17127.7 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2b (5-HT2b) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2b (5-HT2b) receptor IC50 nan None None
Homo sapiens Serotonin 2b (5-HT2b) receptor Ki nan None None
Homo sapiens Serotonin 2c (5-HT2c) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2c (5-HT2c) receptor IC50 nan None None
Homo sapiens Serotonin 2c (5-HT2c) receptor Ki nan None None
Homo sapiens Serotonin 3a (5-HT3a) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 6 (5-HT6) receptor IC50 nan None None
Homo sapiens Serotonin 6 (5-HT6) receptor Ki nan None None
Homo sapiens Serotonin transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin transporter IC50 nan None None
Homo sapiens Serotonin transporter Ki nan None None
Homo sapiens SF-268 GI50 100000.0 nM None
Homo sapiens SF-295 GI50 100000.0 nM None
Homo sapiens SF-539 GI50 100000.0 nM None
Homo sapiens SGC-7901 IC50 30000.0 nM 10.1016/j.ejmech.2020.113027
Homo sapiens SH-SY5Y Activity 15.3 % 10.1021/acs.jmedchem.6b01178
Homo sapiens SH-SY5Y Activity 17.0 % 10.1016/j.bmc.2010.11.053
Homo sapiens SH-SY5Y Activity 27.0 % 10.1016/j.ejmech.2015.12.043
Homo sapiens SH-SY5Y Activity 28.85 % 10.1039/C3MD20345J
Homo sapiens SH-SY5Y Activity 33.0 % 10.1021/acs.jmedchem.6b01178
Homo sapiens SH-SY5Y Activity 33.8 % 10.1021/jm901902w
Homo sapiens SH-SY5Y Activity 35.5 % 10.1021/acs.jmedchem.6b01178
Homo sapiens SH-SY5Y Activity 36.0 % 10.1016/j.ejmech.2018.07.030
Homo sapiens SH-SY5Y Activity 39.4 % 10.1021/acs.jmedchem.6b01178
Homo sapiens SH-SY5Y Activity 42.1 % 10.1016/j.ejmech.2018.07.026
Homo sapiens SH-SY5Y Activity 43.0 % 10.1021/acs.jmedchem.6b00478
Homo sapiens SH-SY5Y Activity 44.7 % 10.1021/jm500263v
Homo sapiens SH-SY5Y Activity 47.4 % 10.1021/acs.jmedchem.6b01178
Homo sapiens SH-SY5Y Activity 48.0 % 10.1016/j.ejmech.2011.05.068
Homo sapiens SH-SY5Y Activity 50.1 % 10.1021/acs.jmedchem.6b01178
Homo sapiens SH-SY5Y Activity 55.4 % 10.1021/acs.jmedchem.6b01178
Homo sapiens SH-SY5Y Activity 58.2 % 10.1021/acs.jmedchem.9b00937
Homo sapiens SH-SY5Y Activity 58.3 % 10.1021/jm500263v
Homo sapiens SH-SY5Y Activity 59.0 % 10.1016/j.bmc.2010.11.053
Homo sapiens SH-SY5Y Activity 59.1 % 10.1021/acs.jmedchem.6b01178
Homo sapiens SH-SY5Y Activity 60.2 % 10.1021/acs.jmedchem.6b01178
Homo sapiens SH-SY5Y Activity 60.7 % 10.1021/acs.jmedchem.6b01178
Homo sapiens SH-SY5Y Activity 66.6 % 10.1021/acs.jmedchem.6b01178
Homo sapiens SH-SY5Y Activity 72.0 % 10.1016/j.ejmech.2011.03.003
Homo sapiens SH-SY5Y Activity 76.0 % 10.1021/acs.jmedchem.9b00937
Homo sapiens SH-SY5Y Activity 81.4 % 10.1021/acs.jmedchem.6b01178
Homo sapiens SH-SY5Y Activity nan None 10.1016/j.ejmech.2015.08.052
Homo sapiens SH-SY5Y Activity nan None 10.1021/acs.jmedchem.6b01178
Homo sapiens SH-SY5Y EC50 1000.0 nM 10.1021/acs.jmedchem.7b01417
Homo sapiens SH-SY5Y Survival 31.4 % 10.1016/j.ejmech.2017.02.034
Homo sapiens SH-SY5Y Survival 33.4 % 10.1016/j.ejmech.2017.02.034
Homo sapiens SH-SY5Y Survival 65.75 % 10.1039/C3MD20345J
Homo sapiens SH-SY5Y Survival 82.5 % 10.1021/jm500263v
Homo sapiens SH-SY5Y Survival 87.8 % 10.1021/jm500263v
Homo sapiens Sigma opioid receptor IC50 nan None None
Homo sapiens Sigma opioid receptor Ki nan None None
Homo sapiens SK-MEL-2 GI50 100000.0 nM None
Homo sapiens SK-MEL-28 GI50 100000.0 nM None
Homo sapiens SK-MEL-5 GI50 100000.0 nM None
Homo sapiens SK-OV-3 GI50 100000.0 nM None
Homo sapiens SN12C GI50 100000.0 nM None
Homo sapiens SNB-19 GI50 100000.0 nM None
Homo sapiens SNB-75 GI50 100000.0 nM None
Homo sapiens SNB-78 GI50 100000.0 nM None
Homo sapiens Solute carrier organic anion transporter family member 1B1 Inhibition 71.02 % 10.1124/mol.112.084152
Homo sapiens Solute carrier organic anion transporter family member 1B3 Inhibition 91.63 % 10.1124/mol.112.084152
Homo sapiens Sphingosine 1-phosphate receptor Edg-1 %Inhib (Mean) -41.51 % 10.6019/CHEMBL5209801
Homo sapiens Sphingosine 1-phosphate receptor Edg-1 %Max (Mean) -4.23 % 10.6019/CHEMBL5209801
Homo sapiens SW-620 GI50 8165.82 nM None
Homo sapiens Thrombin AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Thromboxane A2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Thromboxane-A synthase IC50 nan None None
Homo sapiens Thromboxane-A synthase Ki nan None None
Homo sapiens TK-10 GI50 100000.0 nM None
Homo sapiens Transcription intermediary factor 1-alpha Delta TM 0.05 C None
Homo sapiens Type-1 angiotensin II receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Type-1 angiotensin II receptor %Inhib (Mean) -29.3 % 10.6019/CHEMBL5209801
Homo sapiens Type-1 angiotensin II receptor %Max (Mean) -4.71 % 10.6019/CHEMBL5209801
Homo sapiens Tyrosine-protein kinase ABL Delta TM 0.97 C None
Homo sapiens Tyrosine-protein kinase FYN IC50 nan None None
Homo sapiens Tyrosine-protein kinase FYN Ki nan None None
Homo sapiens Tyrosine-protein kinase LCK IC50 nan None None
Homo sapiens Tyrosine-protein kinase LCK Ki nan None None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 56234.1 nM None
Homo sapiens U-251 GI50 100000.0 nM None
Homo sapiens U-251 IC50 40000.0 nM 10.1016/j.ejmech.2021.113564
Homo sapiens U2OS Growth Rate 0.55 None 10.6019/CHEMBL5058564
Homo sapiens U2OS Growth Rate 0.85 None 10.6019/CHEMBL5058564
Homo sapiens U2OS Growth Rate 0.97 None 10.6019/CHEMBL5058564
Homo sapiens U-87 MG IC50 40000.0 nM 10.1016/j.ejmech.2021.113564
Homo sapiens UACC-257 GI50 100000.0 nM None
Homo sapiens UACC-62 GI50 100000.0 nM None
Homo sapiens UO-31 GI50 100000.0 nM None
Homo sapiens Vascular endothelial growth factor receptor 1 IC50 nan None None
Homo sapiens Vascular endothelial growth factor receptor 1 Ki nan None None
Homo sapiens Vascular endothelial growth factor receptor 2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Vasoactive intestinal polypeptide receptor 1 IC50 nan None None
Homo sapiens Vasoactive intestinal polypeptide receptor 1 Ki nan None None
Homo sapiens Vasopressin V1a receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Vasopressin V1a receptor IC50 nan None None
Homo sapiens Vasopressin V1a receptor Ki nan None None
Homo sapiens Vasopressin V2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Voltage-gated L-type calcium channel IC50 nan None 10.1021/acs.jmedchem.9b00937
Homo sapiens Voltage-gated L-type calcium channel Inhibition nan % 10.1021/acs.jmedchem.9b00937
Homo sapiens XF498 GI50 100000.0 nM None
Mus musculus HT-22 Activity nan None 10.1021/acs.jmedchem.1c00534
Mus musculus Mus musculus Activity 0.15 mg 10.1016/j.ejmech.2007.06.003
Mus musculus Mus musculus Activity 0.17 mg 10.1016/j.ejmech.2007.06.003
Mus musculus Mus musculus Activity 0.18 mg 10.1016/j.ejmech.2007.06.003
Mus musculus Mus musculus Activity 0.19 mg 10.1016/j.ejmech.2007.06.003
Mus musculus Mus musculus Activity 0.21 mg 10.1016/j.ejmech.2007.06.003
Mus musculus Mus musculus Activity 0.23 mg 10.1016/j.ejmech.2007.06.003
Mus musculus Mus musculus Activity 0.24 mg 10.1016/j.ejmech.2007.06.003
Mus musculus Mus musculus Activity 0.25 mg 10.1016/j.ejmech.2007.06.003
Mus musculus Mus musculus Activity 0.26 mg 10.1016/j.ejmech.2007.06.003
Mus musculus Mus musculus Activity 0.28 mg 10.1016/j.ejmech.2007.06.003
Mus musculus Mus musculus Activity 0.32 mg 10.1016/j.ejmech.2007.06.003
Mus musculus Mus musculus Activity 0.34 mg 10.1016/j.ejmech.2007.06.003
Mus musculus Mus musculus Activity 0.38 mg 10.1016/j.ejmech.2007.06.003
Mus musculus Mus musculus Activity 0.44 mg 10.1016/j.ejmech.2007.06.003
Mus musculus Mus musculus Activity 1.2 % 10.1021/acs.jmedchem.7b01417
Mus musculus Mus musculus Activity 1.5 % 10.1021/acs.jmedchem.7b01417
Mus musculus Mus musculus Activity 1.6 % 10.1021/acs.jmedchem.7b01417
Mus musculus Mus musculus Activity 2.1 % 10.1021/acs.jmedchem.7b01417
Mus musculus Mus musculus Activity 2.37 g 10.1016/j.ejmech.2007.06.003
Mus musculus Mus musculus Activity 2.48 g 10.1016/j.ejmech.2007.06.003
Mus musculus Mus musculus Activity 2.54 U/min 10.1016/j.ejmech.2007.06.003
Mus musculus Mus musculus Activity 2.63 U 10.1016/j.ejmech.2007.06.003
Mus musculus Mus musculus Activity 2.7 % 10.1021/acs.jmedchem.7b01417
Mus musculus Mus musculus Activity 2.96 g 10.1016/j.ejmech.2007.06.003
Mus musculus Mus musculus Activity 3.13 U 10.1016/j.ejmech.2007.06.003
Mus musculus Mus musculus Activity 3.2 % 10.1021/acs.jmedchem.7b01417
Mus musculus Mus musculus Activity 3.38 U/min 10.1016/j.ejmech.2007.06.003
Mus musculus Mus musculus Activity 4.42 g 10.1016/j.ejmech.2007.06.003
Mus musculus Mus musculus Activity 4.98 g 10.1016/j.ejmech.2007.06.003
Mus musculus Mus musculus Activity 6.39 g 10.1016/j.ejmech.2007.06.003
Mus musculus Mus musculus Activity 8.42 g 10.1016/j.ejmech.2007.06.003
Mus musculus Mus musculus Activity 9.4 % 10.1021/acs.jmedchem.7b01417
Mus musculus Mus musculus Activity 27.4 % 10.1021/acs.jmedchem.7b01417
Mus musculus Mus musculus Activity 41.0 % 10.1016/j.ejmech.2007.06.003
Mus musculus Mus musculus Activity nan None 10.1016/j.bmc.2013.12.054
Mus musculus Mus musculus Activity nan None 10.1016/j.ejmech.2020.112217
Mus musculus Mus musculus Activity nan None 10.1016/S0960-894X(01)80518-7
Mus musculus Mus musculus Activity nan None 10.1021/acs.jmedchem.0c01940
Mus musculus Mus musculus Inhibition -55.6 % 10.1016/j.ejmech.2007.01.027
Mus musculus Mus musculus Survival 7.0 % 10.1016/j.ejmech.2016.06.017
Mus musculus Mus musculus T1/2 0.03333 hr 10.1021/jm00187a015
Mus musculus Mus musculus T1/2 0.5833 hr 10.1021/jm00187a015
Mus musculus Nitric-oxide synthase, brain Activity 13.75 pmol/min 10.1016/j.ejmech.2008.11.013
Mus musculus Nitric-oxide synthase, brain Activity 19.91 pmol/min 10.1016/j.ejmech.2008.11.013
Mus musculus Nitric oxide synthase, inducible Activity 19.02 pmol/min 10.1016/j.ejmech.2008.11.013
Mus musculus Nitric oxide synthase, inducible Activity 23.6 pmol/min 10.1016/j.ejmech.2008.11.013
Mus musculus Nitric oxide synthase, inducible IC50 nan None None
Mus musculus Nitric oxide synthase, inducible Ki nan None None
Oryctolagus cuniculus Angiotensin-converting enzyme IC50 nan None None
Oryctolagus cuniculus Angiotensin-converting enzyme Ki nan None None
Oryctolagus cuniculus Arachidonate 15-lipoxygenase IC50 nan None None
Oryctolagus cuniculus Arachidonate 15-lipoxygenase Ki nan None None
Oryctolagus cuniculus Oryctolagus cuniculus Activity 5.0 % 10.1016/j.bmcl.2023.129334
Oryctolagus cuniculus Oryctolagus cuniculus Activity 12.0 % 10.1016/j.bmcl.2017.06.065
Oryctolagus cuniculus Oryctolagus cuniculus Activity 12.0 % 10.1016/j.bmcl.2023.129334
Oryctolagus cuniculus Oryctolagus cuniculus Activity 26.0 % 10.1016/j.bmcl.2017.06.065
Oryctolagus cuniculus Oryctolagus cuniculus Activity nan None 10.1016/j.bmcl.2017.06.065
Oryctolagus cuniculus Oryctolagus cuniculus Activity nan None 10.1021/acs.jmedchem.8b00893
Oryctolagus cuniculus Oryctolagus cuniculus Inhibition 50.0 % 10.1021/jm00077a010
Oryctolagus cuniculus Oryctolagus cuniculus TIME 3.0 hr 10.1016/j.bmcl.2017.06.065
Oryctolagus cuniculus Oryctolagus cuniculus TIME 3.0 hr 10.1016/j.bmcl.2023.129334
Oryctolagus cuniculus Oryctolagus cuniculus TIME 4.0 hr 10.1016/j.bmcl.2017.06.065
Plasmodium falciparum Plasmodium falciparum Activity 21.9 % 10.1016/j.ejmech.2014.03.055
Plasmodium falciparum Plasmodium falciparum Activity 23.5 % 10.1016/j.ejmech.2014.03.055
Plasmodium falciparum Plasmodium falciparum Potency 9528.3 nM None
Rattus norvegicus Aldose reductase IC50 nan None None
Rattus norvegicus Aldose reductase Ki nan None None
Rattus norvegicus Alpha-1a adrenergic receptor IC50 nan None None
Rattus norvegicus Alpha-1a adrenergic receptor Ki nan None None
Rattus norvegicus Alpha-1b adrenergic receptor IC50 nan None None
Rattus norvegicus Alpha-1b adrenergic receptor Ki nan None None
Rattus norvegicus Anandamide amidohydrolase IC50 nan None 10.1021/acs.jmedchem.8b00893
Rattus norvegicus Androgen Receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Androgen Receptor IC50 nan None None
Rattus norvegicus Androgen Receptor Ki nan None None
Rattus norvegicus C6 IC50 40000.0 nM 10.1016/j.ejmech.2021.113564
Rattus norvegicus Cyclooxygenase-1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus GABA receptor alpha-1 subunit AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Glutamate (NMDA) receptor subunit zeta 1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Glycine receptor IC50 nan None None
Rattus norvegicus Glycine receptor Ki nan None None
Rattus norvegicus Insulin receptor IC50 nan None None
Rattus norvegicus Insulin receptor Ki nan None None
Rattus norvegicus Liver Activity 30.0 % 10.1016/j.ejmech.2019.111847
Rattus norvegicus Liver Inhibition 28.0 % 10.1007/s00044-005-0132-0
Rattus norvegicus Liver Inhibition 45.0 % 10.1016/j.bmcl.2013.02.090
Rattus norvegicus Liver Inhibition 85.0 % 10.1016/j.bmcl.2013.02.090
Rattus norvegicus Liver Inhibition 93.0 % 10.1007/s00044-005-0132-0
Rattus norvegicus Liver microsomes CL 33.1 mL.min-1.kg-1 10.1016/j.bmc.2012.10.060
Rattus norvegicus Liver microsomes T1/2 1.255 hr 10.1016/j.bmc.2012.10.060
Rattus norvegicus Muscarinic acetylcholine receptor M1 Potency 63.1 nM None
Rattus norvegicus Nitric-oxide synthase, brain IC50 nan None None
Rattus norvegicus Nitric-oxide synthase, brain Ki nan None None
Rattus norvegicus PC-12 Activity nan None 10.1016/j.ejmech.2016.07.052
Rattus norvegicus PC-12 Activity nan None 10.1016/j.ejmech.2017.07.077
Rattus norvegicus PC-12 IC50 100000.0 nM 10.1016/j.bmc.2016.02.039
Rattus norvegicus Plasma T1/2 0.2 hr 10.1021/jm00187a015
Rattus norvegicus Plasma T1/2 0.25 hr 10.1021/jm00187a015
Rattus norvegicus Rattus norvegicus Activity -65.0 % 10.1016/j.ejmech.2010.09.017
Rattus norvegicus Rattus norvegicus Activity -22.0 % 10.1016/j.ejmech.2010.09.017
Rattus norvegicus Rattus norvegicus Activity 1.75 nmol/ml 10.1021/jm100529e
Rattus norvegicus Rattus norvegicus Activity 8.6 U/g 10.1021/jm100529e
Rattus norvegicus Rattus norvegicus Activity 32.0 % 10.1016/j.ejmech.2010.09.017
Rattus norvegicus Rattus norvegicus Activity 33.0 % 10.1016/j.ejmech.2010.09.017
Rattus norvegicus Rattus norvegicus Activity 38.0 % 10.1016/j.ejmech.2010.09.017
Rattus norvegicus Rattus norvegicus Activity 39.7 % 10.1016/j.ejmech.2007.01.027
Rattus norvegicus Rattus norvegicus Activity 40.6 nmol 10.1021/jm100529e
Rattus norvegicus Rattus norvegicus Activity 53.6 pg/ml 10.1021/jm100529e
Rattus norvegicus Rattus norvegicus Activity 59.0 % 10.1016/j.ejmech.2010.09.017
Rattus norvegicus Rattus norvegicus Activity 67.0 % 10.1016/j.ejmech.2010.09.017
Rattus norvegicus Rattus norvegicus Activity 82.0 % 10.1016/j.ejmech.2010.09.017
Rattus norvegicus Rattus norvegicus Activity 96.0 % 10.1016/j.ejmech.2007.01.027
Rattus norvegicus Rattus norvegicus Activity 135.0 % 10.1016/j.ejmech.2010.09.017
Rattus norvegicus Rattus norvegicus Activity nan None 10.1016/j.ejmech.2010.09.017
Rattus norvegicus Rattus norvegicus ALB 33000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 37300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 40000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 41000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 363.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 447.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 505.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 553.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 56.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 65.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 115.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 124.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 76.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 76.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 128.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 154.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BASO 0.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BASOLE 0.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 1.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 2.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 4.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 5.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 133.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 150.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 160.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 190.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 100.33 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 102.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 640.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 743.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 840.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 990.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 170.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 191.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 757.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 788.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 25670000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 30000000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 31000000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 32000000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 2.4 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 2.6 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 3.8 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 0.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 23.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1360.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1550.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1630.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1633.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 32.43 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 32.93 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 34.47 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 38.13 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 131300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 135000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 151300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus IC50 0.0798 nM 10.1021/jm0201159
Rattus norvegicus Rattus norvegicus Inhibition -50.8 % 10.1016/j.ejmech.2007.01.027
Rattus norvegicus Rattus norvegicus Inhibition -50.1 % 10.1016/j.ejmech.2007.01.027
Rattus norvegicus Rattus norvegicus Inhibition -44.4 % 10.1016/j.ejmech.2007.01.027
Rattus norvegicus Rattus norvegicus Inhibition -30.0 % 10.1016/j.ejmech.2007.01.027
Rattus norvegicus Rattus norvegicus Inhibition 56.3 % 10.1016/j.ejmech.2007.01.027
Rattus norvegicus Rattus norvegicus Inhibition 69.0 % 10.1016/j.ejmech.2007.01.027
Rattus norvegicus Rattus norvegicus LDH 89.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 156.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 320.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 369.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 10.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 10.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 11.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 12.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 9249.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 12175.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 12476.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 18071.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 82.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 87.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 88.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 92.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.4 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.9 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 25.1 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 25.17 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 391700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 397000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 405300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 410300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 60.23 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 61.27 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 62.77 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 64.03 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 180.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 229.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 250.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 251.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 1.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 1.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 2.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 6.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 10.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 11.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 15.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1211.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1393.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1643.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1876.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 107.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 110.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 116.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 130.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1125330.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1131670.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1209670.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1278330.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.96 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.08 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.23 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.53 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 46000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 50300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 50700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 55300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Ratio 3.21 None 10.1021/jm100529e
Rattus norvegicus Rattus norvegicus Ratio 3.55 None 10.1021/jm100529e
Rattus norvegicus Rattus norvegicus RBC 5380000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5390000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 6070000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBCNUC 0.0 /100WBC 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 140.4 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 142.07 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 142.1 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 142.13 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Tissue Severity Score nan None 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 12.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 13.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 14.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 14.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 11400.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 14000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 14100.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 19530.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Serotonin 1a (5-HT1a) receptor IC50 nan None None
Rattus norvegicus Serotonin 1a (5-HT1a) receptor Ki nan None None
Rattus norvegicus Serotonin 1b (5-HT1b) receptor IC50 nan None None
Rattus norvegicus Serotonin 1b (5-HT1b) receptor Ki nan None None
Rattus norvegicus Solute carrier family 22 member 8 Activity 30.9 % 10.1046/j.1471-4159.2002.01108.x
Rattus norvegicus Solute carrier family 22 member 8 Activity nan None 10.1074/jbc.274.19.13675
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 794.3 nM None
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 2818.4 nM None
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 37685.8 nM None
Rattus norvegicus Voltage-gated L-type calcium channel alpha-1C subunit AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Voltage-gated N-type calcium channel alpha-1B subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 15.79 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 20.61 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Hit score 0.1403 None 10.1101/2020.04.21.054387
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 19952.62 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 20000.0 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition -0.11 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition -0.09 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 1.77 % 10.21203/rs.3.rs-23951/v1
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition index 0.1584 None 10.1101/2020.04.03.023846
Trypanosoma brucei 6-phospho-1-fructokinase Potency 8492.1 nM None
Xenopus laevis Melanophore Activity nan None 10.1021/jm0512544
Xenopus laevis Melanophore EC50 0.063 nM 10.1021/jm0512544
Xenopus laevis Melanophore EC50 0.23 nM 10.1021/jm970246n
Xenopus laevis Melanophore IC50 nan nM 10.1021/jm970246n
Xenopus laevis Melatonin receptor 1C EC50 0.07943 nM 10.1016/j.bmc.2007.04.013
Xenopus laevis Melatonin receptor 1C EC50 0.08511 nM 10.1016/j.ejmech.2007.01.005
Xenopus laevis Melatonin receptor 1C EC50 0.123 nM 10.1039/C8MD00604K
Xenopus laevis Xenopus laevis Activity nan None 10.1016/S0960-894X(01)80565-5
None ADMET Activity 96.9 % 10.1016/j.bmc.2014.12.046
None ADMET Activity 934.6 ng/ml 10.1021/acs.jmedchem.0c00627
None ADMET Activity nan None 10.1016/j.bmc.2016.02.039
None ADMET Activity nan None 10.1021/acs.jmedchem.1c00534
None ADMET AUC 1150.0 ng.hr.mL-1 10.1016/j.ejmech.2020.112217
None ADMET AUC 2490.0 ng.hr.mL-1 10.1021/acs.jmedchem.0c00627
None ADMET CL 35.0 mL.min-1.g-1 10.1021/jm200385u
None ADMET CL 35.2 mL.min-1.kg-1 10.1021/acs.jmedchem.0c00627
None ADMET Cmax 4950.92 nM 10.1016/j.ejmech.2020.112217
None ADMET Cmax 2790000.0 nM 10.1021/acs.jmedchem.0c00627
None ADMET F 24.0 % 10.1016/j.bmcl.2004.07.055
None ADMET F 53.5 % 10.1021/acs.jmedchem.0c00627
None ADMET Peff nan None 10.1021/acs.jmedchem.1c01883
None ADMET Peff nan None 10.1021/acs.jmedchem.6b01178
None ADMET permeability nan None 10.1021/jm201460y
None ADMET T1/2 0.2 hr 10.1021/jm00187a015
None ADMET T1/2 0.33 hr 10.1021/acs.jmedchem.0c00627
None ADMET T1/2 0.53 hr 10.1021/acs.jmedchem.0c00627
None ADMET T1/2 0.54 hr 10.1016/j.ejmech.2020.112217
None ADMET Tmax 0.19 hr 10.1016/j.ejmech.2020.112217
None ADMET Vdss 1.05 L.kg-1 10.1021/acs.jmedchem.0c00627
None Hepatotoxicity DILI positive/negative 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity Hepatotoxicity nan None 10.1021/tx1000865
None Hepatotoxicity Hepatotoxicity nan None 10.1124/dmd.110.035113
None Molecular identity unknown Activity 21.7 nmol/min/mg 10.1016/j.bmc.2023.117255
None Molecular identity unknown Activity nan None 10.1021/acs.jmedchem.5b00245
None Molecular identity unknown Potency 29849.3 nM None
None NON-PROTEIN TARGET Activity 2.4 None 10.1021/jm5000613
None NON-PROTEIN TARGET Activity 84.0 % 10.1007/s00044-005-0132-0
None NON-PROTEIN TARGET Activity 90.0 % 10.1007/s00044-005-0132-0
None NON-PROTEIN TARGET Activity 90.0 % 10.1016/j.bmc.2009.09.016
None NON-PROTEIN TARGET Activity 92.5 % 10.1016/j.bmc.2014.12.046
None NON-PROTEIN TARGET Activity 98.5 % 10.1016/j.bmc.2014.12.046
None NON-PROTEIN TARGET Activity nan None 10.1016/j.bmc.2009.09.016
None NON-PROTEIN TARGET Activity nan None 10.1016/j.bmc.2011.09.053
None NON-PROTEIN TARGET Activity nan None 10.1016/j.bmc.2016.07.025
None NON-PROTEIN TARGET Hepatotoxicity (acute) 0.0 % 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (animal toxicity known) nan None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (benign tumour) 0.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (granulomatous hepatitis) 0.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (mechanism) nan None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (moderate) 0.0 % 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (moderate) 0.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (time to onset) nan None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET IC50 1920.0 nM 10.1016/j.bmc.2013.07.051
None NON-PROTEIN TARGET IC50 95800.0 nM 10.1021/jm301411g
None NON-PROTEIN TARGET IC50 127000.0 nM 10.1021/jm301411g
None NON-PROTEIN TARGET IC50 537000.0 nM 10.1021/jm301411g
None NON-PROTEIN TARGET IC50 nan None 10.1021/jm801335z
None NON-PROTEIN TARGET Inhibition 19.0 % 10.1016/j.bmcl.2013.02.090
None NON-PROTEIN TARGET Inhibition 49.9 % 10.1016/j.bmc.2016.02.039
None NON-PROTEIN TARGET Inhibition 75.0 % 10.1016/j.bmcl.2013.02.090
None NON-PROTEIN TARGET Potency 0.7 nM None
None NON-PROTEIN TARGET Potency 1.7 nM None
None NON-PROTEIN TARGET Potency 6.0 nM None
None NON-PROTEIN TARGET Potency 16.8 nM None
None NON-PROTEIN TARGET Potency 1058.4 nM None
None NON-PROTEIN TARGET Potency 2369.4 nM None
None NON-PROTEIN TARGET Potency 4727.7 nM None
None NON-PROTEIN TARGET Potency 5304.5 nM None
None NON-PROTEIN TARGET Ratio 2.3 None 10.1016/j.bmc.2011.09.040
None NON-PROTEIN TARGET Ratio 2.3 None 10.1021/jm201460y
None No relevant target Activity 0.022 None 10.1021/acs.jmedchem.9b01747
None No relevant target Activity 0.1 equiv 10.1016/j.ejmech.2020.112090
None No relevant target Activity 2.0 uM 10.1016/j.bmcl.2021.128016
None No relevant target Activity 2.0 umolequiv/umol 10.1016/j.ejmech.2015.08.052
None No relevant target Activity 2.0 None 10.1021/acs.jmedchem.0c01940
None No relevant target Activity 2.05 equiv 10.1016/j.bmc.2017.05.027
None No relevant target Activity 2.3 equiv 10.1016/j.ejmech.2012.06.038
None No relevant target Activity 2.3 equiv 10.1021/acs.jmedchem.1c01883
None No relevant target Activity 2.3 equiv 10.1021/acs.jmedchem.6b01178
None No relevant target Activity 2.3 umolequiv/umol 10.1016/j.bmc.2016.07.025
None No relevant target Activity 2.34 umolequiv/umol 10.1016/j.ejmech.2015.08.052
None No relevant target Activity 2.4 umolequiv/umol 10.1021/acs.jmedchem.7b01417
None No relevant target Activity 2.45 equiv 10.1016/j.ejmech.2021.113278
None No relevant target Activity 2.5 equiv 10.1021/acs.jmedchem.9b00937
None No relevant target Activity 2.51 equiv 10.1016/j.ejmech.2015.10.001
None No relevant target Activity 2.6 umolequiv/umol 10.1021/acs.jmedchem.1c00534
None No relevant target Activity 2.9 umolequiv/umol 10.1021/acs.jmedchem.7b01417
None No relevant target Activity nan None 10.1021/acs.jmedchem.1c00534
None No relevant target EC50 40000.0 nM 10.1016/j.ejmech.2020.112217
None No relevant target EC50 6000000.0 nM 10.1021/acs.jmedchem.0c01940
None No relevant target IC50 1920.0 nM 10.1016/j.bmc.2014.07.009
None No relevant target IC50 1024000.0 nM 10.1021/jm301411g
None No relevant target Inhibition nan % 10.1016/j.bmc.2014.07.009
None No relevant target LogD 0.5 None 10.1021/jm200385u
None No relevant target LogP 2.16 None 10.1016/j.bmcl.2010.02.084
None No relevant target Peff nan None 10.1021/acs.jmedchem.9b00937
None No relevant target permeability nan None 10.1016/j.ejmech.2017.02.034
None No relevant target permeability nan None 10.1021/acs.jmedchem.7b01417
None No relevant target permeability nan None 10.1021/jm5000613
None No relevant target Solubility 400000.0 nM 10.1021/acs.jmedchem.5b00245
None No relevant target Solubility 6640000.0 nM 10.1021/acs.jmedchem.5b00245
None No relevant target Therm_solubility nan None 10.1021/acs.jmedchem.5b00245
None Radical scavenging activity Activity nan None 10.1021/jm301411g
None Radical scavenging activity Inhibition 2.1 % 10.1016/j.bmc.2012.12.017
None Radical scavenging activity Inhibition 7.8 % 10.1016/j.bmc.2012.12.017
None Radical scavenging activity Inhibition 31.8 % 10.1016/j.bmc.2012.12.017
None Radical scavenging activity Inhibition 81.0 % 10.1016/j.bmcl.2013.02.090
None Radical scavenging activity Inhibition 98.0 % 10.1016/j.bmcl.2013.02.090
None Radical scavenging activity Inhibition nan % 10.1016/j.bmc.2012.12.017
None Unchecked Ac50 1.778 uM None
None Unchecked AC50 1778.3 nM None
None Unchecked Activity 119.0 % 10.1021/jm0493616
None Unchecked Activity nan None 10.1016/j.bmc.2009.09.016
None Unchecked Activity nan None 10.1016/j.bmcl.2009.07.082
None Unchecked Activity nan None 10.1016/j.bmcl.2011.02.012
None Unchecked Activity nan None 10.1016/j.ejmech.2020.112217
None Unchecked Activity nan None 10.1021/acs.jmedchem.1c00534
None Unchecked Activity nan None 10.1021/acs.jmedchem.7b01417
None Unchecked Activity nan None 10.1021/jm5000613
None Unchecked Activity nan None 10.1021/jm960651z
None Unchecked Activity nan None 10.1021/jm960653j
None Unchecked Activity nan None 10.1074/jbc.m608207200
None Unchecked EC50 0.01995 nM 10.1016/j.ejmech.2019.111847
None Unchecked EC50 0.074 nM 10.1016/j.ejmech.2015.09.003
None Unchecked EC50 0.08 nM 10.1021/jm980684+
None Unchecked EC50 0.08511 nM 10.1021/jm7010723
None Unchecked EC50 0.4 nM 10.1016/j.bmc.2013.12.054
None Unchecked EC50 0.49 nM 10.1016/j.bmc.2009.03.023
None Unchecked EC50 0.56 nM 10.1016/j.bmcl.2010.12.068
None Unchecked EC50 1.1 nM 10.1016/j.bmcl.2010.12.068
None Unchecked EC50 1.7 nM 10.1016/j.bmc.2013.12.054
None Unchecked EC50 2.24 nM 10.1016/j.bmc.2009.03.023
None Unchecked EC50 282.0 nM 10.1016/j.ejmech.2019.111847
None Unchecked EC50 nan None 10.1021/acs.jmedchem.9b00017
None Unchecked Efficacy 91.0 % 10.1021/acs.jnatprod.7b00853
None Unchecked Emax 100.0 % 10.1016/j.ejmech.2015.09.003
None Unchecked Emax 104.0 % 10.1016/j.bmc.2009.03.023
None Unchecked Emax 110.0 % 10.1016/j.bmc.2009.03.023
None Unchecked GTP-gammaS Index 1.0 None 10.1021/jm960651z
None Unchecked GTP-gammaS Index 1.0 None 10.1021/jm960653j
None Unchecked Hepatotoxicity (acute) 1.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (association with vascular disease) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (choleostasis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (chronic liver disease) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (cirrhosis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (comment) nan None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (cytolytic) 1.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (malignant tumour) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (severe hepatitis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (steatosis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (successful reintroduction) nan None 10.1016/s0399-8320(04)95062-2
None Unchecked IC50 0.19 nM 10.1021/jm701575k
None Unchecked IC50 0.21 nM 10.1016/j.bmcl.2013.01.025
None Unchecked IC50 64.6 nM 10.1016/j.bmc.2008.03.036
None Unchecked IC50 77.0 nM 10.1021/acs.jmedchem.1c01883
None Unchecked IC50 200.0 nM 10.1021/acs.jnatprod.7b00853
None Unchecked IC50 128000.0 nM 10.1016/j.bmc.2012.12.017
None Unchecked IC50 211000.0 nM 10.1021/jm0493616
None Unchecked IC50 nan None 10.1021/acs.jmedchem.9b00017
None Unchecked IC50 nan None None
None Unchecked Inhibition 0.8 % 10.1074/jbc.m608207200
None Unchecked Inhibition 7.5 % 10.1021/acs.jnatprod.6b00643
None Unchecked Inhibition 11.0 % 10.1016/j.bmcl.2013.01.025
None Unchecked Inhibition 16.0 % 10.1016/j.ejmech.2018.10.027
None Unchecked Inhibition 47.8 % 10.1021/acs.jmedchem.7b01417
None Unchecked Inhibition 50.0 % 10.1016/j.bmc.2014.12.046
None Unchecked Inhibition 53.0 % 10.1016/j.bmc.2014.12.046
None Unchecked Inhibition 57.0 % 10.1016/j.bmc.2014.12.046
None Unchecked Inhibition nan % 10.1016/j.bmcl.2009.07.082
None Unchecked Inhibition nan % 10.1021/acs.jmedchem.7b01417
None Unchecked Inhibition nan % 10.1038/nchembio873
None Unchecked Intrinsic activity 97.0 % 10.1016/j.bmcl.2010.12.068
None Unchecked KB nan None 10.1016/j.bmc.2009.03.023
None Unchecked Ki 0.11 nM 10.1016/j.bmcl.2013.01.025
None Unchecked Ki 0.14 nM 10.1016/j.bmc.2009.03.023
None Unchecked Ki 0.23 nM 10.1016/j.bmc.2013.12.054
None Unchecked Ki 0.263 nM 10.1021/jm200790v
None Unchecked Ki 0.3388 nM 10.1021/jm200790v
None Unchecked Ki 0.41 nM 10.1016/j.bmc.2009.03.023
None Unchecked Ki 0.41 nM 10.1016/j.ejmech.2019.111847
None Unchecked Ki 0.4571 nM 10.1039/C4MD00079J
None Unchecked Ki 0.52 nM 10.1016/j.bmc.2013.12.054
None Unchecked Ki 0.54 nM 10.1016/j.bmcl.2012.11.069
None Unchecked Ki 0.58 nM 10.1016/j.bmcl.2010.12.068
None Unchecked Ki 0.955 nM 10.1039/C4MD00079J
None Unchecked Ki 0.99 nM 10.1016/j.bmcl.2010.12.068
None Unchecked Ki 1.1 nM 10.1016/j.ejmech.2019.111847
None Unchecked Ki 27.6 nM 10.1021/jm0201159
None Unchecked Ki 77.0 nM 10.1016/j.ejmech.2020.112090
None Unchecked Ki nan None None
None Unchecked NA nan None 10.1021/jm980684+
None Unchecked Potency 316.2 nM None
None Unchecked Potency 5623.4 nM None
None Unchecked Potency 35481.3 nM None
None Unchecked Ratio 1.5 None 10.1016/j.bmc.2009.09.016
None Unchecked Ratio 4.39 None 10.1021/jm960653j
None Unchecked Ratio 4.88 None 10.1021/jm960651z
None Unchecked Ratio IC50 0.00309 None 10.1016/j.bmc.2008.03.036
None Unchecked Ratio IC50 0.00819 None 10.1016/j.bmc.2008.03.036
None Unchecked Ratio IC50 122.0 None 10.1016/j.ejmech.2011.02.010
None Unchecked Ratio IC50 323.0 None 10.1016/j.ejmech.2011.02.010
None Unchecked Ratio Ki 0.3 None 10.1016/j.bmc.2008.08.052
None Unchecked Ratio Ki 0.34 None 10.1016/j.bmc.2009.03.023
None Unchecked Ratio Ki 0.6 None 10.1021/acs.jmedchem.5b00245
None Unchecked Ratio Ki 0.69 None 10.1016/j.bmc.2012.10.060
None Unchecked Ratio Ki 0.69 None 10.1016/j.bmcl.2010.02.084
None Unchecked Ratio Ki 0.7 None 10.1016/j.bmcl.2011.02.097
None Unchecked Ratio Ki 0.7 None 10.1016/j.ejmech.2011.06.030
None Unchecked Ratio Ki 0.7 None 10.1016/j.ejmech.2016.01.008
None Unchecked Ratio Ki 0.8 None 10.1016/j.ejmech.2011.02.044
None Unchecked Ratio Ki 1.1 None 10.1021/jm200221q
None Unchecked Ratio Ki 1.3 None 10.1016/j.bmc.2011.06.063
None Unchecked Response nan None 10.1021/jm00007a010
None Unchecked Selectivity 0.002 None 10.1021/jm011053+
None Unchecked Selectivity 0.005 None 10.1021/jm011053+

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT002487 CC(=O)NCCc1c[nH]c2ccc(O)cc12.C[33S]>>COc1ccc2[nH]cc(CCNC(C)=O)c2c1 None
AKRT002488 CC(=O)NCCc1c[nH]c2ccc(O)cc12.C[SAH]>>COc1ccc2[nH]cc(CCNC(C)=O)c2c1 ACETYLSEROTONIN-O-METHYLTRANSFERASE-RXN
AKRT004387 CC(=O)[32S].COc1ccc2[nH]cc(CCN)c2c1>>COc1ccc2[nH]cc(CCNC(C)=O)c2c1 None
AKRT004562 CC(=O)[CoA].COc1ccc2[nH]cc(CCN)c2c1>>COc1ccc2[nH]cc(CCNC(C)=O)c2c1 66144
AKRT011856 COc1ccc2[nH]cc(CCNC(C)=O)c2c1>>C=O RXN-11057
AKRT011857 COc1ccc2[nH]cc(CCNC(C)=O)c2c1>>CC(=O)NCCc1c[nH]c2ccc(O)cc12 RXN-11057
AKRT011858 COc1ccc2[nH]cc(CCNC(C)=O)c2c1>>CC(=O)O RXN-11066
AKRT011859 COc1ccc2[nH]cc(CCNC(C)=O)c2c1>>COc1cc2c(CCNC(C)=O)c[nH]c2cc1O RXN-11056
AKRT011860 COc1ccc2[nH]cc(CCNC(C)=O)c2c1>>COc1ccc(NC=O)c(C(=O)CCNC(C)=O)c1 RXN-11071
AKRT011861 COc1ccc2[nH]cc(CCNC(C)=O)c2c1>>COc1ccc2[nH]c(O)c(CCNC(C)=O)c2c1 62512
AKRT011862 COc1ccc2[nH]cc(CCNC(C)=O)c2c1>>COc1ccc2[nH]cc(CCN)c2c1 RXN-11066
AKRT014554 C[SAH].CC(=O)NCCc1c[nH]c2ccc(O)cc12>>COc1ccc2[nH]cc(CCNC(C)=O)c2c1 enzymemap_27363