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name Structure Reference Source Properties Activities Metabolism

(Z)-N-[6-(thiophene-2-carbonyl)-1H-1,3-benzodiazol-2-yl]methoxycarboximidic acid

AlkaPlorer ID: AK076431

Synonym: None

IUPAC Name: methyl N-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]carbamate

Structure

SMILES: COC(O)=NC1=NC2=CC=C(C(=O)C3=CC=CS3)C=C2N1

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InChI: InChI=1S/C14H11N3O3S/c1-20-14(19)17-13-15-9-5-4-8(7-10(9)16-13)12(18)11-3-2-6-21-11/h2-7H,1H3,(H2,15,16,17,19)

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InChIKey: KYRVNWMVYQXFEU-UHFFFAOYSA-N

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Reference

PubChem CID: 4122

CAS: 31430-18-9

NPASS: NPC482765

COCONUT: CNP0337546

Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 301.327

TPSA？: 87.57

MolLogP？: 3.047300000000001

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus anthracis Anthrax lethal factor Potency 39.8 nM None
Bacillus anthracis Anthrax lethal factor Potency 100.0 nM None
Bacillus anthracis Anthrax lethal factor Potency 1258.9 nM None
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 89125.1 nM None
Bos taurus Progesterone receptor IC50 nan None None
Bos taurus Progesterone receptor Ki nan None None
Bos taurus Tubulin IC50 2300.0 nM 10.1016/j.ejmech.2014.09.071
Bos taurus Tubulin INH 2.2 uM 10.1016/j.ejmech.2013.10.077
Bos taurus Tubulin Inhibition 70.0 % 10.1039/C0MD00177E
Bos taurus Tubulin Inhibition nan % 10.1016/j.bmc.2015.03.085
Bos taurus Tubulin beta chain GTPase Activity 4.9 None 10.1021/jm010940+
Bos taurus Tubulin beta chain GTPase Activity 9.0 None 10.1021/jm010940+
Candida albicans Tubulin Inhibition nan % 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
Chlorocebus sabaeus Vero Activity nan None 10.1038/nchembio.144
Danio rerio Danio rerio Activity nan None 10.1016/j.ejmech.2013.10.077
Giardia Giardia Potency 230.5 nM None
Homo sapiens 786-0 GI50 78.89 nM None
Homo sapiens A2780 Activity 12.0 % 10.1016/j.bmcl.2006.01.056
Homo sapiens A2780 Activity 15.7 % 10.1016/j.bmcl.2006.01.056
Homo sapiens A2780 Activity 23.7 % 10.1016/j.bmcl.2006.01.056
Homo sapiens A2780 Activity 62.1 % 10.1016/j.bmcl.2006.01.056
Homo sapiens A-375 IC50 200.0 nM 10.1039/C4MD00219A
Homo sapiens A498 GI50 19.63 nM None
Homo sapiens A549 Activity 0.04 % 10.1016/j.ejmech.2016.09.060
Homo sapiens A549 Activity 0.04 % 10.1039/C4MD00400K
Homo sapiens A549 Activity 0.57 % 10.1016/j.ejmech.2016.09.060
Homo sapiens A549 Activity 0.69 % 10.1039/C4MD00400K
Homo sapiens A549 Activity 0.79 % 10.1039/C7MD00043J
Homo sapiens A549 Activity 1.1 % 10.1039/C7MD00043J
Homo sapiens A549 Activity 1.29 % 10.1039/C4MD00400K
Homo sapiens A549 Activity 2.0 % 10.1016/j.ejmech.2016.09.060
Homo sapiens A549 Activity 4.55 % 10.1039/C7MD00043J
Homo sapiens A549 Activity 7.54 % 10.1016/j.ejmech.2016.09.060
Homo sapiens A549 Activity 9.23 % 10.1039/C4MD00400K
Homo sapiens A549 Activity 11.71 % 10.1039/C4MD00400K
Homo sapiens A549 Activity 16.2 % 10.1039/C7MD00043J
Homo sapiens A549 Activity 18.0 % 10.1039/C0MD00177E
Homo sapiens A549 Activity 18.28 % 10.1016/j.ejmech.2016.09.060
Homo sapiens A549 Activity 20.4 % 10.1016/j.ejmech.2016.09.060
Homo sapiens A549 Activity 22.6 % 10.1039/C7MD00043J
Homo sapiens A549 Activity 24.28 % 10.1039/C4MD00400K
Homo sapiens A549 Activity 24.78 % 10.1016/j.ejmech.2016.09.060
Homo sapiens A549 Activity 25.0 % 10.1039/C0MD00177E
Homo sapiens A549 Activity 29.68 % 10.1039/C7MD00043J
Homo sapiens A549 Activity 31.19 % 10.1039/C7MD00043J
Homo sapiens A549 Activity 51.48 % 10.1039/C7MD00043J
Homo sapiens A549 Activity 55.0 % 10.1039/C0MD00177E
Homo sapiens A549 Activity 62.9 % 10.1016/j.bmc.2020.115897
Homo sapiens A549 Activity 63.76 % 10.1039/C4MD00400K
Homo sapiens A549 Activity 66.92 % 10.1039/C7MD00043J
Homo sapiens A549 Activity 72.17 % 10.1016/j.ejmech.2016.09.060
Homo sapiens A549 Activity 73.5 % 10.1039/C7MD00043J
Homo sapiens A549 Activity 75.0 % 10.1016/j.ejmech.2016.09.060
Homo sapiens A549 Activity 75.04 % 10.1016/j.ejmech.2016.09.060
Homo sapiens A549 Activity 86.96 % 10.1039/C4MD00400K
Homo sapiens A549 Activity nan None 10.1016/j.ejmech.2012.01.004
Homo sapiens A549 Activity nan None 10.1021/acs.jmedchem.7b01634
Homo sapiens A549 Activity nan None 10.1021/jm200521a
Homo sapiens A549 Activity nan None 10.1021/jm200737s
Homo sapiens A549 Activity_index 9.83 None 10.1016/j.ejmech.2018.05.028
Homo sapiens A549 Activity_index 14.57 None 10.1016/j.ejmech.2018.05.028
Homo sapiens A549 Activity_index 28.57 None 10.1016/j.ejmech.2018.05.028
Homo sapiens A549 Activity_index 57.93 None 10.1016/j.ejmech.2018.05.028
Homo sapiens A549 EC50 106.5 nM 10.1016/j.ejmech.2009.12.072
Homo sapiens A549 FC 4.0 None 10.1039/C0MD00177E
Homo sapiens A549 GI50 10.0 nM 10.1016/j.bmcl.2017.10.044
Homo sapiens A549 GI50 18.58 nM None
Homo sapiens A549 GI50 20.0 nM 10.1016/j.bmcl.2015.03.032
Homo sapiens A549 GI50 80.0 nM 10.1016/j.bmcl.2016.04.038
Homo sapiens A549 GI50 90.0 nM 10.1016/j.bmcl.2017.01.031
Homo sapiens A549 GI50 100.0 nM 10.1016/j.bmcl.2010.09.024
Homo sapiens A549 GI50 210.0 nM 10.1039/C0MD00177E
Homo sapiens A549 GI50 500.0 nM 10.1016/j.bmcl.2010.04.030
Homo sapiens A549 IC50 36.6 nM 10.1016/j.ejmech.2009.12.072
Homo sapiens A549 IC50 87.0 nM 10.1021/np2003325
Homo sapiens A549 IC50 100.0 nM 10.1039/C0MD00263A
Homo sapiens A549 IC50 120.0 nM 10.1016/j.ejmech.2014.09.071
Homo sapiens A549 IC50 130.0 nM 10.1039/C5MD00150A
Homo sapiens A549 IC50 200.0 nM 10.1016/j.ejmech.2019.03.006
Homo sapiens A549 IC50 272.0 nM 10.1021/acsmedchemlett.0c00119
Homo sapiens A549 IC50 820.0 nM 10.1039/C6MD00562D
Homo sapiens A549 IC50 890.0 nM 10.1016/j.ejmech.2013.10.077
Homo sapiens A549 IC50 900.0 nM 10.1016/j.bmc.2017.09.035
Homo sapiens A549 IC50 1050.0 nM 10.1039/C7MD00450H
Homo sapiens A549 IC50 1140.0 nM 10.1016/j.bmc.2020.115897
Homo sapiens A549 IC50 1380.0 nM 10.1016/j.ejmech.2019.111700
Homo sapiens A549 IC50 1393.0 nM 10.1039/C7MD00043J
Homo sapiens A549 IC50 1513.0 nM 10.1016/j.bmcl.2017.07.051
Homo sapiens A549 IC50 1620.0 nM 10.1039/C4MD00400K
Homo sapiens A549 IC50 1807.0 nM 10.1016/j.bmc.2020.115897
Homo sapiens A549 IC50 1807.0 nM 10.1016/j.ejmech.2019.112016
Homo sapiens A549 IC50 1870.0 nM 10.1016/j.ejmech.2015.07.031
Homo sapiens A549 IC50 1870.0 nM 10.1016/j.ejmech.2017.06.035
Homo sapiens A549 IC50 2300.0 nM 10.1016/j.bmcl.2017.06.060
Homo sapiens A549 IC50 2310.0 nM 10.1016/j.ejmech.2013.03.042
Homo sapiens A549 IC50 2500.0 nM 10.1039/C4MD00219A
Homo sapiens A549 IC50 3630.0 nM 10.1016/j.bmcl.2020.127432
Homo sapiens A549 LC50 100.0 nM 10.1016/j.bmcl.2010.09.024
Homo sapiens A549 LC50 1000.0 nM 10.1016/j.bmcl.2010.04.030
Homo sapiens A549 Ratio 6.0 None 10.1039/C0MD00177E
Homo sapiens Acetylcholinesterase IC50 nan None None
Homo sapiens Acetylcholinesterase Ki nan None None
Homo sapiens ACHN GI50 225.42 nM None
Homo sapiens Adenosine A1 receptor IC50 50330.0 nM None
Homo sapiens Adenosine A1 receptor Ki 29433.0 nM None
Homo sapiens Adenosine A2a receptor IC50 7509.0 nM None
Homo sapiens Adenosine A2a receptor Ki 4219.0 nM None
Homo sapiens Adenosine A3 receptor IC50 nan None None
Homo sapiens Adenosine A3 receptor Ki nan None None
Homo sapiens Aldehyde dehydrogenase 1A1 Potency 3162.3 nM None
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 IC50 nan None None
Homo sapiens Alpha-2a adrenergic receptor Ki nan None None
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 IC50 nan None None
Homo sapiens Alpha-2c adrenergic receptor Ki nan None None
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 Ataxin-2 Potency 199.5 nM None
Homo sapiens Ataxin-2 Potency 251.2 nM None
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 2229.7 nM None
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 2310.0 nM None
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 4448.8 nM None
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 IC50 nan None None
Homo sapiens Beta-2 adrenergic receptor Ki nan None None
Homo sapiens Beta-3 adrenergic receptor IC50 nan None None
Homo sapiens Beta-3 adrenergic receptor Ki nan None None
Homo sapiens Bloom syndrome protein Potency 2.0 nM None
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 -1.24 C None
Homo sapiens BT-474 IC50 870.0 nM 10.1039/d0md00162g
Homo sapiens BT-474 IC50 2720.0 nM 10.1016/j.bmcl.2020.127432
Homo sapiens BT-549 GI50 52.72 nM None
Homo sapiens BT-549 IC50 69.0 nM 10.1021/jm200436t
Homo sapiens CAKI-1 GI50 1109.17 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 Activity nan None 10.1046/j.1432-1327.2000.01106.x
Homo sapiens Cannabinoid CB1 receptor IC50 nan None None
Homo sapiens Cannabinoid CB1 receptor Ki nan None None
Homo sapiens CAPAN-1 IC50 130.0 nM 10.1039/d3md00055a
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 1.62 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 14.52 nM None
Homo sapiens Cellular tumor antigen p53 Potency 7943.3 nM None
Homo sapiens Cerebroside-sulfatase Potency 23934.1 nM None
Homo sapiens Cholecystokinin A receptor IC50 nan None None
Homo sapiens Cholecystokinin A receptor Ki nan None None
Homo sapiens Chromobox protein homolog 1 Potency 631.0 nM None
Homo sapiens COLO 205 Activity nan None 10.1021/acs.jnatprod.8b00864
Homo sapiens COLO 205 GI50 19.41 nM None
Homo sapiens COLO 205 IC50 88.0 nM 10.1021/jm200436t
Homo sapiens CREB-binding protein Potency 794.3 nM None
Homo sapiens CREB-binding protein Potency 1995.3 nM None
Homo sapiens Cyclin-dependent kinase 2 Delta TM 1.46 C None
Homo sapiens Cyclooxygenase-1 IC50 nan None None
Homo sapiens Cyclooxygenase-1 Ki nan None None
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 1A2 AC50 794.33 nM None
Homo sapiens Cytochrome P450 1A2 AC50 1584.89 nM None
Homo sapiens Cytochrome P450 1A2 IC50 nan None None
Homo sapiens Cytochrome P450 1A2 Ki nan None None
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 2C9 Potency 1258.9 nM None
Homo sapiens Cytochrome P450 2C9 Potency 7943.3 nM None
Homo sapiens Cytochrome P450 2D6 AC50 nan None None
Homo sapiens Cytochrome P450 2D6 IC50 nan None None
Homo sapiens Cytochrome P450 2D6 Ki nan None 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 Delta opioid receptor IC50 nan None None
Homo sapiens Delta opioid receptor Ki nan None None
Homo sapiens DLD-1 GI50 34.43 nM None
Homo sapiens DLD-1 IC50 190.0 nM 10.1021/jm200436t
Homo sapiens DMS-114 GI50 42.36 nM None
Homo sapiens DMS-273 GI50 32.21 nM None
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 3.2 nM None
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 3981.1 nM None
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 35481.3 nM None
Homo sapiens Dopamine D1 receptor IC50 nan None None
Homo sapiens Dopamine D1 receptor Ki nan None None
Homo sapiens Dopamine D2 receptor IC50 nan None None
Homo sapiens Dopamine D2 receptor Ki nan None None
Homo sapiens Dopamine D3 receptor IC50 nan None None
Homo sapiens Dopamine D3 receptor Ki nan None None
Homo sapiens Dopamine D4 receptor IC50 nan None None
Homo sapiens Dopamine D4 receptor Ki nan None None
Homo sapiens Dopamine transporter IC50 6232.0 nM None
Homo sapiens Dopamine transporter Ki 4946.0 nM None
Homo sapiens DU-145 Activity 0.86 % 10.1016/j.ejmech.2015.01.030
Homo sapiens DU-145 Activity 1.4 % 10.1016/j.bmcl.2015.08.056
Homo sapiens DU-145 Activity 2.8 % 10.1016/j.bmcl.2015.08.056
Homo sapiens DU-145 Activity 3.92 % 10.1016/j.bmcl.2015.08.056
Homo sapiens DU-145 Activity 4.52 % 10.1016/j.ejmech.2015.01.030
Homo sapiens DU-145 Activity 5.35 % 10.1016/j.bmcl.2015.08.056
Homo sapiens DU-145 Activity 5.61 % 10.1016/j.bmcl.2015.08.056
Homo sapiens DU-145 Activity 8.3 % 10.1016/j.bmcl.2015.08.056
Homo sapiens DU-145 Activity 9.25 % 10.1016/j.bmcl.2015.08.056
Homo sapiens DU-145 Activity 9.52 % 10.1016/j.bmcl.2015.08.056
Homo sapiens DU-145 Activity 26.59 % 10.1016/j.bmcl.2015.08.056
Homo sapiens DU-145 Activity 43.4 % 10.1016/j.ejmech.2015.01.030
Homo sapiens DU-145 Activity 48.19 % 10.1016/j.ejmech.2015.01.030
Homo sapiens DU-145 Activity 57.63 % 10.1016/j.bmcl.2015.08.056
Homo sapiens DU-145 Activity 81.21 % 10.1016/j.bmcl.2015.08.056
Homo sapiens DU-145 Activity 87.5 % 10.1016/j.bmcl.2015.08.056
Homo sapiens DU-145 Activity nan None 10.1016/j.bmcl.2015.08.056
Homo sapiens DU-145 GI50 11.0 nM 10.1016/j.ejmech.2019.111700
Homo sapiens DU-145 GI50 20.37 nM None
Homo sapiens DU-145 GI50 190.0 nM 10.1039/C0MD00177E
Homo sapiens DU-145 IC50 100.0 nM 10.1039/C0MD00263A
Homo sapiens DU-145 IC50 250.0 nM 10.1039/C4MD00400K
Homo sapiens DU-145 IC50 1140.0 nM 10.1016/j.ejmech.2017.09.006
Homo sapiens DU-145 IC50 1259.0 nM 10.1039/C7MD00043J
Homo sapiens DU-145 IC50 1380.0 nM 10.1016/j.ejmech.2019.111700
Homo sapiens DU-145 IC50 1390.0 nM 10.1039/C7MD00450H
Homo sapiens DU-145 IC50 1698.0 nM 10.1016/j.bmcl.2017.07.051
Homo sapiens DU-145 IC50 2100.0 nM 10.1039/C4MD00219A
Homo sapiens DU-145 IC50 2200.0 nM 10.1016/j.bmcl.2016.07.053
Homo sapiens DU-145 IC50 2800.0 nM 10.1016/j.ejmech.2013.03.042
Homo sapiens DU-145 IC50 3200.0 nM 10.1016/j.ejmech.2013.10.077
Homo sapiens EKVX GI50 39.72 nM None
Homo sapiens Endothelin receptor ET-A IC50 nan None None
Homo sapiens Endothelin receptor ET-A Ki nan None None
Homo sapiens Epidermal growth factor receptor erbB1 IC50 nan None None
Homo sapiens Epidermal growth factor receptor erbB1 Ki nan None None
Homo sapiens Estrogen receptor alpha IC50 nan None None
Homo sapiens Estrogen receptor alpha Ki nan None None
Homo sapiens Estrogen receptor beta IC50 nan None None
Homo sapiens Estrogen receptor beta Ki nan None None
Homo sapiens Fibroblast Growth Rate -0.86 None 10.6019/CHEMBL5058564
Homo sapiens Fibroblast Growth Rate -0.6 None 10.6019/CHEMBL5058564
Homo sapiens Fibroblast Growth Rate -0.54 None 10.6019/CHEMBL5058564
Homo sapiens Fibroblast Growth Rate -0.39 None 10.6019/CHEMBL5058564
Homo sapiens Fibroblast Growth Rate -0.33 None 10.6019/CHEMBL5058564
Homo sapiens Fibroblast Growth Rate -0.2 None 10.6019/CHEMBL5058564
Homo sapiens Fibroblast Growth Rate -0.04 None 10.6019/CHEMBL5058564
Homo sapiens Fibroblast Growth Rate 0.08 None 10.6019/CHEMBL5058564
Homo sapiens Fibroblast growth factor receptor 3 Delta TM 1.03 C None
Homo sapiens Geminin Potency 115.8 nM None
Homo sapiens Geminin Potency 158.5 nM None
Homo sapiens Geminin Potency 183.6 nM None
Homo sapiens Geminin Potency 211.4 nM None
Homo sapiens Geminin Potency 237.1 nM None
Homo sapiens Glucocorticoid receptor IC50 nan None None
Homo sapiens Glucocorticoid receptor Ki nan None None
Homo sapiens Glycogen synthase kinase-3 beta Delta TM 2.74 C None
Homo sapiens HaCaT IC50 1190.0 nM 10.1039/d0md00162g
Homo sapiens HaCaT IC50 8900.0 nM 10.1016/j.ejmech.2015.07.031
Homo sapiens HCC 2998 GI50 38.9 nM None
Homo sapiens HCT-116 Activity 2.92 % 10.1021/acs.jmedchem.2c00432
Homo sapiens HCT-116 Activity 7.11 % 10.1021/acs.jmedchem.2c00432
Homo sapiens HCT-116 Activity 93.17 % 10.1021/acs.jmedchem.2c00432
Homo sapiens HCT-116 GI50 15.24 nM None
Homo sapiens HCT-116 IC50 130.0 nM 10.1039/d3md00055a
Homo sapiens HCT-116 IC50 173.0 nM 10.1021/np2003325
Homo sapiens HCT-116 IC50 1060.0 nM 10.1016/j.ejmech.2017.09.006
Homo sapiens HCT-116 IC50 1262.0 nM 10.1016/j.bmcl.2017.07.051
Homo sapiens HCT-116 IC50 1380.0 nM 10.1016/j.ejmech.2019.111700
Homo sapiens HCT-116 IC50 2820.0 nM 10.1016/j.bmcl.2020.127432
Homo sapiens HCT-15 GI50 19.77 nM None
Homo sapiens Heat shock protein beta-1 Activity nan None 10.1021/jm300100d
Homo sapiens HEK293 IC50 2200.0 nM 10.1016/j.ejmech.2019.111700
Homo sapiens HEK293 IC50 5100.0 nM 10.1016/j.bmcl.2016.07.053
Homo sapiens HEK293 Potency 1635.3 nM None
Homo sapiens HEK-293T Growth Rate -0.49 None 10.6019/CHEMBL5058564
Homo sapiens HEK-293T Growth Rate -0.46 None 10.6019/CHEMBL5058564
Homo sapiens HEK-293T Growth Rate -0.34 None 10.6019/CHEMBL5058564
Homo sapiens HEK-293T Growth Rate -0.32 None 10.6019/CHEMBL5058564
Homo sapiens HEK-293T Growth Rate -0.26 None 10.6019/CHEMBL5058564
Homo sapiens HEK-293T Growth Rate -0.24 None 10.6019/CHEMBL5058564
Homo sapiens HEK-293T Growth Rate -0.22 None 10.6019/CHEMBL5058564
Homo sapiens HeLa Activity 11.0 % 10.1021/jm3009629
Homo sapiens HeLa Activity 13.0 % 10.1021/jm3009629
Homo sapiens HeLa Activity 14.0 % 10.1021/jm3009629
Homo sapiens HeLa Activity 14.7 % 10.1021/jm3009629
Homo sapiens HeLa Activity 22.0 % 10.1021/jm3009629
Homo sapiens HeLa Activity 28.0 % 10.1021/jm3009629
Homo sapiens HeLa Activity 36.0 % 10.1021/jm3009629
Homo sapiens HeLa Activity 50.5 % 10.1021/jm3009629
Homo sapiens HeLa Activity 82.0 % 10.1016/j.bmc.2007.06.016
Homo sapiens HeLa Activity 87.5 % 10.1039/C6MD00562D
Homo sapiens HeLa Activity 91.7 % 10.1016/j.ejmech.2017.07.076
Homo sapiens HeLa Activity nan None 10.1016/j.bmc.2014.01.039
Homo sapiens HeLa Activity nan None 10.1016/j.bmcl.2017.06.060
Homo sapiens HeLa Activity nan None 10.1016/j.ejmech.2014.07.050
Homo sapiens HeLa Activity nan None 10.1016/j.ejmech.2014.11.063
Homo sapiens HeLa Activity nan None 10.1039/C6MD00562D
Homo sapiens HeLa Activity nan None None
Homo sapiens HeLa EC50 40.0 nM 10.1016/j.ejmech.2019.111865
Homo sapiens HeLa Flu intensity 8.61 None 10.1016/j.bmc.2014.01.039
Homo sapiens HeLa Flu intensity 9.75 None 10.1016/j.bmc.2014.01.039
Homo sapiens HeLa Flu intensity 16.9 None 10.1016/j.bmc.2014.01.039
Homo sapiens HeLa Flu intensity 64.7 None 10.1016/j.bmc.2014.01.039
Homo sapiens HeLa GI50 10.0 nM 10.1016/j.bmcl.2017.10.044
Homo sapiens HeLa GI50 10.0 nM 10.1016/j.ejmech.2019.111700
Homo sapiens HeLa GI50 11.0 nM 10.1016/j.ejmech.2019.111700
Homo sapiens HeLa GI50 15.0 nM 10.1016/j.bmcl.2015.03.032
Homo sapiens HeLa GI50 63.0 nM 10.1016/j.bmcl.2016.04.038
Homo sapiens HeLa GI50 86.0 nM 10.1016/j.bmcl.2017.01.031
Homo sapiens HeLa GI50 750.0 nM 10.1016/j.bmcl.2010.09.024
Homo sapiens HeLa GI50 750.0 nM 10.1039/C0MD00177E
Homo sapiens HeLa GI50 810.0 nM 10.1016/j.bmc.2014.07.031
Homo sapiens HeLa IC50 178.0 nM 10.1021/jm3009629
Homo sapiens HeLa IC50 300.0 nM 10.1016/j.ejmech.2019.03.006
Homo sapiens HeLa IC50 710.0 nM 10.1016/j.ejmech.2013.03.042
Homo sapiens HeLa IC50 840.0 nM 10.1039/C6MD00562D
Homo sapiens HeLa IC50 1050.0 nM 10.1039/C7MD00450H
Homo sapiens HeLa IC50 1100.0 nM 10.1016/j.ejmech.2013.10.077
Homo sapiens HeLa IC50 1110.0 nM 10.1039/d0md00162g
Homo sapiens HeLa IC50 1200.0 nM 10.1016/j.bmc.2017.09.035
Homo sapiens HeLa IC50 1600.0 nM 10.1016/j.bmcl.2017.06.060
Homo sapiens HeLa IC50 1611.0 nM 10.1039/C7MD00043J
Homo sapiens HeLa IC50 2230.0 nM 10.1039/C4MD00400K
Homo sapiens HeLa IC50 2830.0 nM 10.1016/j.ejmech.2015.07.031
Homo sapiens HeLa IC50 2830.0 nM 10.1016/j.ejmech.2017.06.035
Homo sapiens HeLa Inhibition nan % 10.1021/jm3009629
Homo sapiens HeLa LC50 900.0 nM 10.1016/j.bmcl.2010.09.024
Homo sapiens Hematopoietic prostaglandin D synthase IC50 nan None 10.1016/j.ejmech.2009.10.025
Homo sapiens Hematopoietic prostaglandin D synthase Inhibition 42.6 % 10.1016/j.ejmech.2009.10.025
Homo sapiens HepG2 Activity nan None 10.1016/j.ejmech.2020.112697
Homo sapiens HepG2 GI50 10.0 nM 10.1016/j.ejmech.2019.111700
Homo sapiens HepG2 GI50 11.0 nM 10.1016/j.ejmech.2019.111700
Homo sapiens HepG2 GI50 760.0 nM 10.1039/C0MD00177E
Homo sapiens HepG2 IC50 100.0 nM 10.1039/C0MD00263A
Homo sapiens HepG2 IC50 400.0 nM 10.1016/j.ejmech.2019.03.006
Homo sapiens HepG2 IC50 1100.0 nM 10.1016/j.bmcl.2017.06.060
Homo sapiens HERG IC50 nan None None
Homo sapiens HERG Ki nan None None
Homo sapiens Histamine H1 receptor IC50 nan None None
Homo sapiens Histamine H1 receptor Ki nan None None
Homo sapiens Histamine H2 receptor IC50 nan None None
Homo sapiens Histamine H2 receptor Ki nan None None
Homo sapiens Histone deacetylase 6 Inhibition -19.84 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition 45.28 % 10.6019/CHEMBL4808148
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 26.7 nM None
Homo sapiens HL-60 Activity 14.11 % 10.1016/j.bmc.2018.05.009
Homo sapiens HL-60 Activity 21.26 % 10.1016/j.bmc.2018.05.009
Homo sapiens HL-60 Activity 33.46 % 10.1016/j.bmc.2018.05.009
Homo sapiens HL-60 Activity 45.28 % 10.1016/j.bmc.2018.05.009
Homo sapiens HL-60 GI50 11.35 nM None
Homo sapiens HL-60 IC50 100.0 nM 10.1039/d3md00055a
Homo sapiens HMEC IC50 11500.0 nM 10.1016/j.ejmech.2019.03.006
Homo sapiens HMG-CoA reductase IC50 nan None None
Homo sapiens HMG-CoA reductase Ki nan None None
Homo sapiens Homo sapiens Control 0.0 % 10.1021/jm00081a016
Homo sapiens Homo sapiens IC50 33.0 nM 10.1021/jm00081a016
Homo sapiens HOP-18 GI50 32809.53 nM None
Homo sapiens HOP-62 GI50 28.71 nM None
Homo sapiens HOP-92 GI50 292.42 nM None
Homo sapiens Hs-578T GI50 15.63 nM None
Homo sapiens HT-29 Activity_index 5.22 None 10.1016/j.ejmech.2015.11.044
Homo sapiens HT-29 Activity_index 11.4 None 10.1016/j.ejmech.2015.11.044
Homo sapiens HT-29 Activity_index 25.61 None 10.1016/j.ejmech.2015.11.044
Homo sapiens HT-29 Activity_index 64.81 None 10.1016/j.ejmech.2015.11.044
Homo sapiens HT-29 GI50 14.19 nM None
Homo sapiens HT-29 IC50 2200.0 nM 10.1016/j.ejmech.2019.111700
Homo sapiens Huntingtin Potency 446.7 nM None
Homo sapiens Hypoxia-inducible factor 1 alpha Potency 199.5 nM None
Homo sapiens Hypoxia-inducible factor 1 alpha Potency 1995.3 nM None
Homo sapiens IGROV-1 GI50 24.21 nM None
Homo sapiens IMR-32 GI50 10.0 nM 10.1016/j.ejmech.2019.111700
Homo sapiens IMR-32 IC50 1300.0 nM 10.1016/j.bmc.2017.09.035
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 Isocitrate dehydrogenase [NADP] cytoplasmic Potency 16.4 nM None
Homo sapiens Jurkat Activity 5.6 % 10.1016/j.bmcl.2011.12.023
Homo sapiens Jurkat Activity 40.3 % 10.1016/j.bmcl.2011.12.023
Homo sapiens Jurkat Activity nan None 10.1016/j.bmcl.2011.12.023
Homo sapiens K562 Activity 3.6 % 10.1016/j.ejmech.2018.03.037
Homo sapiens K562 Activity 26.8 % 10.1016/j.ejmech.2018.03.037
Homo sapiens K562 Activity 33.2 % 10.1016/j.ejmech.2018.03.037
Homo sapiens K562 Activity 49.4 % 10.1016/j.ejmech.2018.03.037
Homo sapiens K562 Activity 69.7 % 10.1016/j.ejmech.2018.03.037
Homo sapiens K562 Activity nan None 10.1021/jm0605031
Homo sapiens K562 EC50 82.0 nM 10.1021/jm0307685
Homo sapiens K562 GI50 11.83 nM None
Homo sapiens K562 IC50 70.0 nM 10.1039/d3md00055a
Homo sapiens K562 IC50 220.0 nM 10.1016/j.bmcl.2020.127687
Homo sapiens K562 IC50 nan None 10.1016/j.bmc.2011.06.010
Homo sapiens K562 IC50 nan None 10.1016/j.ejmech.2010.04.019
Homo sapiens K562 IC50 nan None 10.1016/j.ejmech.2010.04.032
Homo sapiens K562 IC50 nan None 10.1021/acs.jmedchem.6b01591
Homo sapiens K562 IC50 nan None 10.1021/jm0307685
Homo sapiens K562 IC50 nan None 10.1021/jm0708984
Homo sapiens K562 IC50 nan None 10.1021/jm200436t
Homo sapiens K562 IC50 nan None 10.1021/jm801338r
Homo sapiens Kappa opioid receptor IC50 nan None None
Homo sapiens Kappa opioid receptor Ki nan None None
Homo sapiens KB IC50 140.0 nM 10.1021/jm0307685
Homo sapiens KM12 GI50 13.87 nM None
Homo sapiens KM-20L2 GI50 13.21 nM None
Homo sapiens L02 IC50 13500.0 nM 10.1016/j.ejmech.2019.03.006
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 LN-229 IC50 100.0 nM 10.1039/d3md00055a
Homo sapiens LOX IMVI GI50 21.43 nM None
Homo sapiens LXFL 529 GI50 53.21 nM None
Homo sapiens M14 GI50 13.96 nM None
Homo sapiens M19-MEL GI50 194.54 nM None
Homo sapiens Malme-3M GI50 27.16 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 0.17 C None
Homo sapiens MAP kinase ERK2 IC50 nan None None
Homo sapiens MAP kinase ERK2 Ki nan None None
Homo sapiens MAP kinase ERK2 Potency 5011.9 nM 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 Activity 1.6 % 10.1016/j.ejmech.2016.06.011
Homo sapiens MCF7 Activity 7.6 % 10.1016/j.ejmech.2016.06.011
Homo sapiens MCF7 Activity 14.4 % 10.1016/j.ejmech.2018.03.037
Homo sapiens MCF7 Activity 16.4 % 10.1016/j.bmcl.2019.05.008
Homo sapiens MCF7 Activity 20.3 % 10.1016/j.ejmech.2016.06.011
Homo sapiens MCF7 Activity 21.6 % 10.1016/j.bmcl.2019.05.008
Homo sapiens MCF7 Activity 22.0 % 10.1016/j.bmcl.2019.05.008
Homo sapiens MCF7 Activity 32.1 % 10.1016/j.ejmech.2018.03.037
Homo sapiens MCF7 Activity 35.7 % 10.1016/j.ejmech.2018.03.037
Homo sapiens MCF7 Activity 39.3 % 10.1016/j.bmcl.2019.05.008
Homo sapiens MCF7 Activity 49.9 % 10.1016/j.ejmech.2018.03.037
Homo sapiens MCF7 Activity 70.5 % 10.1016/j.ejmech.2016.06.011
Homo sapiens MCF7 Activity nan None 10.1016/j.bmc.2017.04.013
Homo sapiens MCF7 Activity nan None 10.1016/j.ejmech.2010.12.004
Homo sapiens MCF7 Activity nan None 10.1016/j.ejmech.2016.06.011
Homo sapiens MCF7 Flu intensity 0.72 None 10.1016/j.bmc.2014.01.039
Homo sapiens MCF7 Flu intensity 9.16 None 10.1016/j.bmc.2014.01.039
Homo sapiens MCF7 Flu intensity 30.7 None 10.1016/j.bmc.2014.01.039
Homo sapiens MCF7 Flu intensity 57.5 None 10.1016/j.bmc.2014.01.039
Homo sapiens MCF7 GI50 10.0 nM 10.1016/j.ejmech.2019.111700
Homo sapiens MCF7 GI50 42.17 nM None
Homo sapiens MCF7 GI50 100.0 nM 10.1016/j.bmcl.2010.09.024
Homo sapiens MCF7 GI50 940.0 nM 10.1016/j.bmc.2014.07.031
Homo sapiens MCF7 IC50 200.0 nM 10.1016/j.ejmech.2019.03.006
Homo sapiens MCF7 IC50 420.0 nM 10.1016/j.bmcl.2016.07.053
Homo sapiens MCF7 IC50 1086.0 nM 10.1039/C7MD00043J
Homo sapiens MCF7 IC50 1250.0 nM 10.1016/j.bmc.2017.09.035
Homo sapiens MCF7 IC50 1480.0 nM 10.1039/C7MD00450H
Homo sapiens MCF7 IC50 1500.0 nM 10.1016/j.bmcl.2017.06.060
Homo sapiens MCF7 IC50 1600.0 nM 10.1016/j.ejmech.2015.07.031
Homo sapiens MCF7 IC50 1700.0 nM 10.1016/j.ejmech.2013.10.077
Homo sapiens MCF7 IC50 1760.0 nM 10.1039/d0md00162g
Homo sapiens MCF7 IC50 2370.0 nM 10.1016/j.bmc.2020.115897
Homo sapiens MCF7 LC50 100.0 nM 10.1016/j.bmcl.2010.09.024
Homo sapiens MDA-MB-231 GI50 10.0 nM 10.1016/j.bmcl.2017.10.044
Homo sapiens MDA-MB-231 GI50 11.0 nM 10.1016/j.ejmech.2019.111700
Homo sapiens MDA-MB-231 GI50 17.0 nM 10.1016/j.bmcl.2015.03.032
Homo sapiens MDA-MB-231 GI50 42.0 nM 10.1016/j.bmcl.2016.04.038
Homo sapiens MDA-MB-231 GI50 65.0 nM 10.1016/j.bmcl.2017.01.031
Homo sapiens MDA-MB-231 GI50 150.0 nM 10.1039/C0MD00177E
Homo sapiens MDA-MB-231 GI50 171.4 nM None
Homo sapiens MDA-MB-231 IC50 100.0 nM 10.1039/C0MD00263A
Homo sapiens MDA-MB-231 IC50 710.0 nM 10.1039/C6MD00562D
Homo sapiens MDA-MB-231 IC50 1100.0 nM 10.1016/j.bmcl.2016.07.053
Homo sapiens MDA-MB-231 IC50 1380.0 nM 10.1016/j.ejmech.2019.111700
Homo sapiens MDA-MB-231 IC50 1830.0 nM 10.1016/j.bmcl.2020.127432
Homo sapiens MDA-MB-231 IC50 1862.0 nM 10.1016/j.bmcl.2017.07.051
Homo sapiens MDA-MB-231 IC50 1900.0 nM 10.1016/j.bmc.2020.115897
Homo sapiens MDA-MB-231 IC50 2370.0 nM 10.1016/j.bmc.2020.115897
Homo sapiens MDA-MB-435 GI50 11.09 nM None
Homo sapiens MDA-MB-453 IC50 910.0 nM 10.1016/j.ejmech.2017.09.006
Homo sapiens MDA-N GI50 12.39 nM None
Homo sapiens ME-180 IC50 1700.0 nM 10.1039/C4MD00219A
Homo sapiens Melanocortin receptor 3 IC50 nan None None
Homo sapiens Melanocortin receptor 3 Ki nan None None
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 MIA PaCa-2 IC50 910.0 nM 10.1039/C6MD00562D
Homo sapiens Microtubule-associated protein tau Potency 19952.6 nM None
Homo sapiens Microtubule-associated protein tau Potency 39810.7 nM None
Homo sapiens MOLT-4 GI50 20.51 nM None
Homo sapiens Monoamine oxidase A IC50 24099.0 nM None
Homo sapiens Monoamine oxidase A Ki nan None None
Homo sapiens Mothers against decapentaplegic homolog 3 Potency 707.9 nM None
Homo sapiens MRC5 IC50 15300.0 nM 10.1016/j.ejmech.2019.03.006
Homo sapiens Multidrug resistance associated protein Activity nan None 10.1046/j.1432-1327.2000.01106.x
Homo sapiens Mu opioid receptor IC50 nan None None
Homo sapiens Mu opioid receptor Ki nan None None
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 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M2 Ki nan None None
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 NCI/ADR-RES GI50 14.03 nM None
Homo sapiens NCI-H226 GI50 62.52 nM None
Homo sapiens NCI-H23 GI50 16.79 nM None
Homo sapiens NCI-H322M GI50 23.44 nM None
Homo sapiens NCI-H460 Activity 6.9 % 10.1021/np030266u
Homo sapiens NCI-H460 Activity 13.0 % 10.1021/np030266u
Homo sapiens NCI-H460 Activity 73.1 % 10.1016/j.ejmech.2019.111752
Homo sapiens NCI-H460 Activity 80.1 % 10.1021/np030266u
Homo sapiens NCI-H460 Activity nan None 10.1016/j.ejmech.2019.111752
Homo sapiens NCI-H460 GI50 17.91 nM None
Homo sapiens NCI-H460 IC50 68.0 nM 10.1021/jm200436t
Homo sapiens NCI-H460 IC50 150.0 nM 10.1016/j.bmc.2011.06.010
Homo sapiens NCI-H460 IC50 150.0 nM 10.1016/j.ejmech.2010.04.032
Homo sapiens NCI-H460 IC50 150.0 nM 10.1021/jm0307685
Homo sapiens NCI-H460 IC50 150.0 nM 10.1021/jm0605031
Homo sapiens NCI-H460 IC50 150.0 nM 10.1021/jm0708984
Homo sapiens NCI-H460 IC50 150.0 nM 10.1021/jm801338r
Homo sapiens NCI-H460 IC50 250.0 nM 10.1039/d3md00055a
Homo sapiens NCI-H460 IC50 2290.0 nM 10.1039/d0md00162g
Homo sapiens NCI-H522 GI50 12.47 nM None
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 Neuropeptide S receptor Potency 1000.0 nM None
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 IC50 nan None None
Homo sapiens Neuropeptide Y receptor type 2 Ki nan None None
Homo sapiens Niemann-Pick C1 protein Potency 7307.8 nM None
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 Potency 9200.0 nM None
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 10322.5 nM None
Homo sapiens Nuclear factor NF-kappa-B p105 subunit Potency 12.6 nM None
Homo sapiens Nuclear receptor subfamily 0 group B member 1 IC50 833.38 nM None
Homo sapiens OVCAR-3 GI50 16.83 nM None
Homo sapiens OVCAR-4 GI50 22284.35 nM None
Homo sapiens OVCAR-5 GI50 20749.14 nM None
Homo sapiens OVCAR-8 GI50 29.04 nM None
Homo sapiens PC-3 GI50 14.13 nM None
Homo sapiens PC-3 IC50 1840.0 nM 10.1016/j.ejmech.2017.09.006
Homo sapiens PC-3 IC50 2500.0 nM 10.1016/j.bmcl.2016.07.053
Homo sapiens PC-3M Activity nan None 10.1021/np070600c
Homo sapiens Peregrin Delta TM -1.96 C None
Homo sapiens Peripheral myelin protein 22 Potency 26854.5 nM None
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 Prelamin-A/C Potency 79.4 nM None
Homo sapiens Prelamin-A/C Potency 281.8 nM None
Homo sapiens Prelamin-A/C Potency 316.2 nM None
Homo sapiens Protein kinase C alpha IC50 nan None None
Homo sapiens Protein kinase C alpha Ki nan None 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 RKO IC50 110.0 nM 10.1016/j.ejmech.2010.04.032
Homo sapiens RKO IC50 110.0 nM 10.1021/jm0307685
Homo sapiens RKO IC50 110.0 nM 10.1021/jm0605031
Homo sapiens RKO IC50 110.0 nM 10.1021/jm0708984
Homo sapiens RKO IC50 110.0 nM 10.1021/jm801338r
Homo sapiens RKO IC50 10000.0 nM 10.1016/j.ejmech.2010.04.032
Homo sapiens RKO IC50 10000.0 nM 10.1021/jm0307685
Homo sapiens RKO IC50 10000.0 nM 10.1021/jm0605031
Homo sapiens RKO IC50 10000.0 nM 10.1021/jm801338r
Homo sapiens RKO IC50 14000.0 nM 10.1021/jm0708984
Homo sapiens RPMI-8226 GI50 13.18 nM None
Homo sapiens Runt-related transcription factor 1/Core-binding factor subunit beta Potency 10000.0 nM None
Homo sapiens RXF 393 GI50 13.4 nM None
Homo sapiens RXF 631 GI50 69.98 nM None
Homo sapiens Serine/threonine-protein kinase Aurora-A Delta TM 2.51 C None
Homo sapiens Serine/threonine-protein kinase mTOR Potency 92.7 nM None
Homo sapiens Serine/threonine-protein kinase mTOR Potency 146.9 nM None
Homo sapiens Serine/threonine-protein kinase PLK1 Inhibition nan % 10.1016/j.ejmech.2020.112697
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 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 IC50 20180.0 nM None
Homo sapiens Serotonin 2b (5-HT2b) receptor Ki 12845.0 nM None
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 6 (5-HT6) receptor IC50 nan None None
Homo sapiens Serotonin 6 (5-HT6) receptor Ki nan None None
Homo sapiens Serotonin transporter IC50 nan None None
Homo sapiens Serotonin transporter Ki nan None None
Homo sapiens SF-268 GI50 89.33 nM None
Homo sapiens SF-268 IC50 300.0 nM 10.1016/j.bmc.2011.06.010
Homo sapiens SF-268 IC50 300.0 nM 10.1016/j.ejmech.2010.04.032
Homo sapiens SF-268 IC50 300.0 nM 10.1021/jm0307685
Homo sapiens SF-268 IC50 300.0 nM 10.1021/jm0605031
Homo sapiens SF-268 IC50 300.0 nM 10.1021/jm0708984
Homo sapiens SF-268 IC50 300.0 nM 10.1021/jm801338r
Homo sapiens SF-295 GI50 12.82 nM None
Homo sapiens SF-539 GI50 17.7 nM None
Homo sapiens SH-SY5Y Potency 199.5 nM None
Homo sapiens Sigma opioid receptor IC50 nan None None
Homo sapiens Sigma opioid receptor Ki nan None None
Homo sapiens SK-BR-3 IC50 84.0 nM 10.1016/j.bmcl.2012.07.023
Homo sapiens SK-MEL-2 GI50 19.28 nM None
Homo sapiens SK-MEL-28 GI50 95.72 nM None
Homo sapiens SK-MEL-5 GI50 18.45 nM None
Homo sapiens SK-N-SH GI50 650.0 nM 10.1016/j.bmcl.2010.04.030
Homo sapiens SK-N-SH GI50 660.0 nM 10.1016/j.bmcl.2010.09.024
Homo sapiens SK-N-SH IC50 100.0 nM 10.1039/C0MD00263A
Homo sapiens SK-N-SH LC50 750.0 nM 10.1016/j.bmcl.2010.09.024
Homo sapiens SK-N-SH LC50 2800.0 nM 10.1016/j.bmcl.2010.04.030
Homo sapiens SK-OV-3 GI50 16.48 nM None
Homo sapiens SK-OV-3 IC50 80.0 nM 10.1021/jm200436t
Homo sapiens SK-OV-3 IC50 170.0 nM 10.1016/j.bmc.2011.06.010
Homo sapiens SK-OV-3 IC50 170.0 nM 10.1016/j.ejmech.2010.04.032
Homo sapiens SK-OV-3 IC50 170.0 nM 10.1021/jm0307685
Homo sapiens SK-OV-3 IC50 170.0 nM 10.1021/jm0605031
Homo sapiens SK-OV-3 IC50 170.0 nM 10.1021/jm0708984
Homo sapiens SK-OV-3 IC50 170.0 nM 10.1021/jm801338r
Homo sapiens SN12C GI50 73.96 nM None
Homo sapiens SNB-19 GI50 85.7 nM None
Homo sapiens SNB-75 GI50 15.45 nM None
Homo sapiens SNB-78 GI50 32.21 nM None
Homo sapiens Solute carrier organic anion transporter family member 1B1 Inhibition 105.94 % 10.1124/mol.112.084152
Homo sapiens Solute carrier organic anion transporter family member 1B3 Inhibition 95.15 % 10.1124/mol.112.084152
Homo sapiens SR GI50 15.31 nM None
Homo sapiens SW480 IC50 120.0 nM 10.1021/jm200436t
Homo sapiens SW-620 GI50 14.09 nM None
Homo sapiens T47D GI50 80909.59 nM None
Homo sapiens Thrombopoietin Potency 12.6 nM None
Homo sapiens Thromboxane-A synthase IC50 nan None None
Homo sapiens Thromboxane-A synthase Ki nan None None
Homo sapiens Thyroid stimulating hormone receptor Potency 398.1 nM None
Homo sapiens TK-10 GI50 2951.21 nM None
Homo sapiens Transcription intermediary factor 1-alpha Delta TM -1.62 C None
Homo sapiens Tubulin Activity 9.8 % 10.1021/jm501180v
Homo sapiens Tubulin Activity nan None 10.1016/j.ejmech.2014.09.071
Homo sapiens Tubulin Activity nan None 10.1016/j.ejmech.2019.111584
Homo sapiens Tubulin Activity nan None 10.1016/j.ejmech.2020.112176
Homo sapiens Tubulin Activity nan None 10.1021/jm500670d
Homo sapiens Tubulin EC50 900.0 nM 10.1016/j.bmc.2014.01.039
Homo sapiens Tubulin IC50 760.0 nM 10.1016/j.ejmech.2010.04.019
Homo sapiens Tubulin IC50 810.0 nM 10.1016/j.ejmech.2017.09.065
Homo sapiens Tubulin IC50 1640.0 nM 10.1016/j.ejmech.2015.01.030
Homo sapiens Tubulin IC50 1980.0 nM 10.1039/C7MD00043J
Homo sapiens Tubulin IC50 2490.0 nM 10.1016/j.ejmech.2020.112506
Homo sapiens Tubulin Inhibition 58.31 % 10.1016/j.ejmech.2019.03.024
Homo sapiens Tubulin Inhibition 66.83 % 10.1039/C7MD00043J
Homo sapiens Tubulin Inhibition 93.5 % 10.1021/acs.jnatprod.0c00699
Homo sapiens Tubulin Inhibition nan % 10.1016/j.bmc.2015.11.007
Homo sapiens Tubulin Inhibition nan % 10.1016/j.bmcl.2020.127354
Homo sapiens Tubulin Inhibition nan % 10.1016/j.bmcl.2021.128327
Homo sapiens Tubulin Inhibition nan % 10.1016/j.ejmech.2010.12.004
Homo sapiens Tubulin Inhibition nan % 10.1016/j.ejmech.2012.12.008
Homo sapiens Tubulin Inhibition nan % 10.1016/j.ejmech.2017.07.076
Homo sapiens Tubulin Inhibition nan % 10.1016/j.ejmech.2018.02.066
Homo sapiens Tubulin Inhibition nan % 10.1016/j.ejmech.2019.03.006
Homo sapiens Tubulin Inhibition nan % 10.1021/acs.jmedchem.1c01936
Homo sapiens Tubulin Inhibition nan % 10.1021/acs.jmedchem.5b01426
Homo sapiens Tubulin Inhibition nan % 10.1021/acs.jnatprod.0c00699
Homo sapiens Tubulin Inhibition nan % 10.1021/ml5004684
Homo sapiens Tubulin Inhibition nan % 10.1039/C6MD00562D
Homo sapiens Tubulin Ka 4.0 10'5/M 10.1021/jm401939g
Homo sapiens Tubulin alpha Activity nan None 10.1016/j.ejmech.2019.111584
Homo sapiens Tyrosine-protein kinase ABL Delta TM 4.95 C None
Homo sapiens Tyrosine-protein kinase ABL IC50 640.0 nM 10.1021/jm301891t
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 46.1 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 51.7 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 53.1 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 75.0 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 105.9 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 130.0 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 141.3 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 177.8 nM None
Homo sapiens U-251 GI50 40.27 nM None
Homo sapiens U2OS Activity nan None 10.1021/acsmedchemlett.9b00399
Homo sapiens U2OS EC50 50.0 nM 10.1021/ml5000564
Homo sapiens U2OS Growth Rate -0.36 None 10.6019/CHEMBL5058564
Homo sapiens U2OS Growth Rate -0.35 None 10.6019/CHEMBL5058564
Homo sapiens U2OS Growth Rate -0.16 None 10.6019/CHEMBL5058564
Homo sapiens U2OS Growth Rate -0.06 None 10.6019/CHEMBL5058564
Homo sapiens U2OS Growth Rate 0.03 None 10.6019/CHEMBL5058564
Homo sapiens U2OS Growth Rate 0.1 None 10.6019/CHEMBL5058564
Homo sapiens U2OS Growth Rate 0.24 None 10.6019/CHEMBL5058564
Homo sapiens U2OS Growth Rate 0.3 None 10.6019/CHEMBL5058564
Homo sapiens UACC-257 GI50 148.25 nM None
Homo sapiens UACC-62 GI50 18.41 nM None
Homo sapiens Ubiquitin carboxyl-terminal hydrolase 1 Potency 39810.7 nM None
Homo sapiens UO-31 GI50 57.94 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 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 IC50 nan None None
Homo sapiens Vasopressin V1a receptor Ki nan None None
Homo sapiens XF498 GI50 31.41 nM None
Homo sapiens Z-138 IC50 310.0 nM 10.1039/d3md00055a
Mus musculus 4T1 IC50 1300.0 nM 10.1016/j.bmcl.2016.07.053
Mus musculus B16 IC50 100.0 nM 10.1021/jm00122a020
Mus musculus B16 IC50 690.0 nM 10.1039/C4MD00400K
Mus musculus B16-F10 IC50 3120.0 nM 10.1016/j.bmcl.2020.127432
Mus musculus L1210 Control 0.0 % 10.1021/jm00081a016
Mus musculus L1210 IC50 38.0 nM 10.1021/jm00081a016
Mus musculus L1210 IC50 50.0 nM 10.1016/j.ejmech.2010.04.032
Mus musculus L1210 IC50 50.0 nM 10.1021/jm0605031
Mus musculus L1210 IC50 60.0 nM 10.1016/j.bmc.2011.06.010
Mus musculus L1210 IC50 60.0 nM 10.1021/jm0307685
Mus musculus L1210 IC50 60.0 nM 10.1021/jm0708984
Mus musculus L1210 IC50 60.0 nM 10.1021/jm801338r
Mus musculus L1210 IC50 70.0 nM 10.1016/j.bmc.2011.06.010
Mus musculus L1210 IC50 70.0 nM 10.1021/jm0307685
Mus musculus L1210 IC50 70.0 nM 10.1021/jm0708984
Mus musculus L1210 IC50 90.0 nM 10.1016/j.ejmech.2010.04.032
Mus musculus L1210 IC50 90.0 nM 10.1021/jm0605031
Mus musculus L1210 IC50 5000.0 nM 10.1021/jm801338r
Mus musculus L1210 ID50 0.027 uM 10.1021/jm00351a008
Mus musculus L1210 Mitotic index 0.19 uM 10.1021/jm00351a008
Mus musculus Mus musculus ILS 75.0 % 10.1021/jm00122a020
Mus musculus Mus musculus MTD 80.0 mg kg-1 10.1021/jm00122a020
Mus musculus NIH3T3 Activity nan None 10.1021/np070600c
Mus musculus Nitric oxide synthase, inducible IC50 nan None None
Mus musculus Nitric oxide synthase, inducible Ki nan None None
Mus musculus Nuclear receptor ROR-gamma Potency 1412.5 nM None
Mus musculus Nuclear receptor ROR-gamma Potency 1778.3 nM None
Mus musculus Nuclear receptor ROR-gamma Potency 5623.4 nM None
Mus musculus Nuclear receptor ROR-gamma Potency 11220.2 nM None
Mus musculus P388 IC50 40.0 nM 10.1021/jm801338r
Mus musculus P388 IC50 50.0 nM 10.1016/j.bmc.2011.06.010
Mus musculus P388 IC50 50.0 nM 10.1021/jm0708984
Mus musculus P388 IC50 70.0 nM 10.1016/j.bmc.2011.06.010
Mus musculus P388 IC50 70.0 nM 10.1021/jm0708984
Mus musculus P388 IC50 80.0 nM 10.1016/j.ejmech.2010.04.032
Mus musculus P388 IC50 80.0 nM 10.1021/jm0605031
Mus musculus P388 IC50 170.0 nM 10.1016/j.ejmech.2010.04.032
Mus musculus P388 IC50 170.0 nM 10.1021/jm0605031
Mus musculus P388 IC50 5000.0 nM 10.1021/jm801338r
Mus musculus P388/ADR IC50 50.0 nM 10.1021/jm0307685
Mus musculus P388/ADR IC50 70.0 nM 10.1021/jm0307685
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
Paracentrotus lividus Paracentrotus lividus Activity nan None 10.1021/acs.jnatprod.5b00124
Paracentrotus lividus Paracentrotus lividus EC 0.005 uM 10.1021/acs.jnatprod.5b00124
Paracentrotus lividus Paracentrotus lividus EC 0.02 uM 10.1021/acs.jnatprod.5b00124
Paracentrotus lividus Paracentrotus lividus EC 0.1 uM 10.1021/acs.jnatprod.5b00124
Paracentrotus lividus Paracentrotus lividus EC 0.5 uM 10.1021/acs.jnatprod.5b00124
Paracentrotus lividus Paracentrotus lividus EC50 5.0 nM 10.1016/j.ejmech.2009.12.072
Paracentrotus lividus Paracentrotus lividus EC50 10.0 nM 10.1016/j.ejmech.2009.12.072
Paracentrotus lividus Paracentrotus lividus EC50 100.0 nM 10.1016/j.ejmech.2009.12.072
Plasmodium falciparum Plasmodium falciparum IC50 10000.0 nM 10.1038/nchembio.215
Plasmodium falciparum Plasmodium falciparum Potency 1510.1 nM None
Plasmodium falciparum Plasmodium falciparum Potency 2616.9 nM None
Plasmodium falciparum Plasmodium falciparum Potency 2936.2 nM None
Plasmodium falciparum Plasmodium falciparum Potency 10691.0 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 Androgen Receptor IC50 nan None None
Rattus norvegicus Androgen Receptor Ki nan None None
Rattus norvegicus Cortical neurone Activity nan None 10.1021/acs.jmedchem.9b01938
Rattus norvegicus Cortical neurone IC50 97.0 nM 10.1021/acs.jmedchem.9b01938
Rattus norvegicus Cortical neurone IC50 99.7 nM 10.1021/acs.jmedchem.9b01938
Rattus norvegicus Cortical neurone IC50 2220.0 nM 10.1021/acs.jmedchem.9b01938
Rattus norvegicus Glycine receptor IC50 nan None None
Rattus norvegicus Glycine receptor Ki nan None None
Rattus norvegicus Inositol monophosphatase 1 Potency 28183.8 nM None
Rattus norvegicus Insulin receptor IC50 nan None None
Rattus norvegicus Insulin receptor Ki nan None None
Rattus norvegicus LT12 tumor cell line IC50 50.0 nM 10.1021/jm0307685
Rattus norvegicus LT12 tumor cell line IC50 300.0 nM 10.1021/jm0307685
Rattus norvegicus Nitric-oxide synthase, brain IC50 nan None None
Rattus norvegicus Nitric-oxide synthase, brain Ki nan None None
Rattus norvegicus Peripheral myelin protein 22 Potency 2237.0 nM None
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
Saccharomyces cerevisiae Saccharomyces cerevisiae Activity nan None 10.1038/nchembio.100
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 15.03 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 27.45 % 10.6019/CHEMBL4495564
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 0.7 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 0.97 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 66.14 % 10.21203/rs.3.rs-23951/v1
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition index -0.0327 None 10.1101/2020.04.03.023846
Sus scrofa Tubulin IC50 760.0 nM 10.1016/j.bmc.2011.06.010
Sus scrofa Tubulin IC50 760.0 nM 10.1016/j.ejmech.2010.04.032
Sus scrofa Tubulin IC50 760.0 nM 10.1021/jm0307685
Sus scrofa Tubulin IC50 760.0 nM 10.1021/jm0605031
Sus scrofa Tubulin IC50 760.0 nM 10.1021/jm0708984
Sus scrofa Tubulin IC50 760.0 nM 10.1021/jm200436t
Sus scrofa Tubulin IC50 760.0 nM 10.1021/jm801338r
Sus scrofa Tubulin IC50 1820.0 nM 10.1039/C4MD00400K
Sus scrofa Tubulin Inhibition 66.93 % 10.1039/C4MD00400K
Sus scrofa Tubulin Inhibition 79.2 % 10.1039/C5MD00155B
Sus scrofa Tubulin Inhibition nan % 10.1016/j.bmc.2019.07.048
Sus scrofa Tubulin Inhibition nan % 10.1016/j.ejmech.2019.111584
Sus scrofa Tubulin Vmax 13.0 milli optical density/minute 10.1016/j.bmc.2019.07.048
Sus scrofa Tubulin alpha chain IC50 5700.0 nM 10.1021/jm00122a020
Sus scrofa Tubulin beta chain Inhibition nan % 10.1016/j.bmc.2012.10.009
Sus scrofa Tubulin beta chain Inhibition nan % 10.1016/j.bmcl.2013.02.016
Sus scrofa Tubulin beta chain Inhibition nan % 10.1021/jm3012728
Trypanosoma brucei 6-phospho-1-fructokinase Potency 37933.0 nM None
Trypanosoma brucei Trypanosoma brucei IC50 44200.0 nM 10.1016/j.bmcl.2012.07.023
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 MDR IC50 70.0 nM 10.1021/jm0605031
None Molecular identity unknown Activity 0.9 % 10.1021/jm0605031
None Molecular identity unknown Activity 0.9 % 10.1021/jm0708984
None Molecular identity unknown Activity 0.9 % 10.1021/jm801338r
None Molecular identity unknown Activity 6.0 % 10.1021/jm0605031
None Molecular identity unknown Activity 6.0 % 10.1021/jm0708984
None Molecular identity unknown Activity 6.0 % 10.1021/jm801338r
None Molecular identity unknown Activity 9.9 % 10.1021/jm0605031
None Molecular identity unknown Activity 9.9 % 10.1021/jm0708984
None Molecular identity unknown Activity 9.9 % 10.1021/jm801338r
None Molecular identity unknown Activity 10.0 % 10.1021/jm0605031
None Molecular identity unknown Activity 10.0 % 10.1021/jm0708984
None Molecular identity unknown Activity 10.0 % 10.1021/jm801338r
None Molecular identity unknown Activity 10.6 % 10.1021/jm0605031
None Molecular identity unknown Activity 10.6 % 10.1021/jm0708984
None Molecular identity unknown Activity 10.6 % 10.1021/jm801338r
None Molecular identity unknown Activity 11.1 % 10.1021/jm0605031
None Molecular identity unknown Activity 11.1 % 10.1021/jm0708984
None Molecular identity unknown Activity 11.1 % 10.1021/jm801338r
None Molecular identity unknown Activity 22.3 % 10.1021/jm0605031
None Molecular identity unknown Activity 22.3 % 10.1021/jm0708984
None Molecular identity unknown Activity 22.3 % 10.1021/jm801338r
None Molecular identity unknown Activity 23.6 % 10.1021/jm0605031
None Molecular identity unknown Activity 23.6 % 10.1021/jm0708984
None Molecular identity unknown Activity 23.6 % 10.1021/jm801338r
None Molecular identity unknown Activity 24.8 % 10.1021/jm0605031
None Molecular identity unknown Activity 24.8 % 10.1021/jm0708984
None Molecular identity unknown Activity 24.8 % 10.1021/jm801338r
None Molecular identity unknown Activity 25.7 % 10.1021/jm0605031
None Molecular identity unknown Activity 25.7 % 10.1021/jm0708984
None Molecular identity unknown Activity 25.7 % 10.1021/jm801338r
None Molecular identity unknown Activity 26.1 % 10.1021/jm0605031
None Molecular identity unknown Activity 26.1 % 10.1021/jm0708984
None Molecular identity unknown Activity 26.1 % 10.1021/jm801338r
None Molecular identity unknown Activity 51.4 % 10.1021/jm0605031
None Molecular identity unknown Activity 51.4 % 10.1021/jm0708984
None Molecular identity unknown Activity 51.4 % 10.1021/jm801338r
None Molecular identity unknown Activity 64.2 % 10.1021/jm0605031
None Molecular identity unknown Activity 64.2 % 10.1021/jm0708984
None Molecular identity unknown Activity 64.2 % 10.1021/jm801338r
None Molecular identity unknown Activity 64.4 % 10.1021/jm0605031
None Molecular identity unknown Activity 64.4 % 10.1021/jm0708984
None Molecular identity unknown Activity 64.4 % 10.1021/jm801338r
None Molecular identity unknown Activity 64.6 % 10.1021/jm0605031
None Molecular identity unknown Activity 64.6 % 10.1021/jm0708984
None Molecular identity unknown Activity 64.6 % 10.1021/jm801338r
None Molecular identity unknown Activity 65.2 % 10.1021/jm0605031
None Molecular identity unknown Activity 65.2 % 10.1021/jm0708984
None Molecular identity unknown Activity 65.2 % 10.1021/jm801338r
None Molecular identity unknown Activity 93.2 % 10.1021/jm0605031
None Molecular identity unknown Activity 93.2 % 10.1021/jm0708984
None Molecular identity unknown Activity 93.2 % 10.1021/jm801338r
None Molecular identity unknown EC50 91.0 nM 10.1016/j.bmc.2011.06.010
None Molecular identity unknown EC50 91.0 nM 10.1016/j.ejmech.2010.04.032
None Molecular identity unknown EC50 91.0 nM 10.1021/jm0605031
None Molecular identity unknown EC50 91.0 nM 10.1021/jm0708984
None Molecular identity unknown EC50 91.0 nM 10.1021/jm801338r
None Molecular identity unknown Flu intensity 7.64 None 10.1016/j.bmc.2014.01.039
None Molecular identity unknown Flu intensity 10.7 None 10.1016/j.bmc.2014.01.039
None Molecular identity unknown Flu intensity 29.4 None 10.1016/j.bmc.2014.01.039
None Molecular identity unknown Flu intensity 51.7 None 10.1016/j.bmc.2014.01.039
None NON-PROTEIN TARGET Activity nan None 10.1016/j.ejmech.2015.01.030
None NON-PROTEIN TARGET GI50 10.0 nM 10.1016/j.bmcl.2015.03.032
None NON-PROTEIN TARGET GI50 10.0 nM 10.1016/j.ejmech.2016.09.062
None NON-PROTEIN TARGET GI50 29.0 nM 10.1016/j.bmcl.2016.04.038
None NON-PROTEIN TARGET GI50 38.9 nM 10.1016/j.bmc.2016.11.041
None NON-PROTEIN TARGET GI50 810.0 nM 10.1016/j.ejmech.2016.06.011
None NON-PROTEIN TARGET GI50 940.0 nM 10.1016/j.ejmech.2016.06.011
None NON-PROTEIN TARGET GI50 950.0 nM 10.1016/j.bmc.2014.07.031
None NON-PROTEIN TARGET GI50 950.0 nM 10.1016/j.ejmech.2016.06.011
None NON-PROTEIN TARGET IC50 6.0 nM 10.1021/jm801338r
None NON-PROTEIN TARGET IC50 40.0 nM 10.1016/j.bmc.2011.06.010
None NON-PROTEIN TARGET IC50 40.0 nM 10.1016/j.ejmech.2010.04.032
None NON-PROTEIN TARGET IC50 40.0 nM 10.1021/jm0605031
None NON-PROTEIN TARGET IC50 50.0 nM 10.1021/jm0708984
None NON-PROTEIN TARGET IC50 70.0 nM 10.1016/j.bmc.2011.06.010
None NON-PROTEIN TARGET IC50 70.0 nM 10.1016/j.ejmech.2010.04.032
None NON-PROTEIN TARGET IC50 72.0 nM 10.1021/jm200436t
None NON-PROTEIN TARGET IC50 80.0 nM 10.1016/j.ejmech.2014.09.071
None NON-PROTEIN TARGET IC50 85.0 nM 10.1039/C5MD00150A
None NON-PROTEIN TARGET IC50 110.0 nM 10.1016/j.bmc.2011.06.010
None NON-PROTEIN TARGET IC50 140.0 nM 10.1016/j.bmc.2011.06.010
None NON-PROTEIN TARGET IC50 140.0 nM 10.1016/j.ejmech.2010.04.032
None NON-PROTEIN TARGET IC50 140.0 nM 10.1016/j.ejmech.2014.09.071
None NON-PROTEIN TARGET IC50 140.0 nM 10.1021/jm0605031
None NON-PROTEIN TARGET IC50 140.0 nM 10.1021/jm0708984
None NON-PROTEIN TARGET IC50 140.0 nM 10.1021/jm801338r
None NON-PROTEIN TARGET IC50 150.0 nM 10.1039/C5MD00150A
None NON-PROTEIN TARGET IC50 300.0 nM 10.1021/jm0708984
None NON-PROTEIN TARGET IC50 400.0 nM 10.1021/jm801338r
None NON-PROTEIN TARGET IC50 10000.0 nM 10.1016/j.bmc.2011.06.010
None NON-PROTEIN TARGET Potency 2.4 nM None
None NON-PROTEIN TARGET Potency 6309.6 nM None
None NON-PROTEIN TARGET Potency 7943.3 nM None
None NON-PROTEIN TARGET Potency 10000.0 nM None
None NON-PROTEIN TARGET Potency 10583.9 nM None
None NON-PROTEIN TARGET Potency 11220.2 nM None
None NON-PROTEIN TARGET Potency 16774.4 nM None
None NON-PROTEIN TARGET Potency 21117.7 nM None
None No relevant target IC50 67509.0 nM None
None No relevant target Solubility 1000.0 ug.mL-1 10.1016/j.ejmech.2018.11.004
None Unchecked Ac50 0.03854 uM None
None Unchecked Ac50 0.4852 uM None
None Unchecked Ac50 0.5444 uM None
None Unchecked Ac50 0.6108 uM None
None Unchecked Ac50 0.6853 uM None
None Unchecked Ac50 0.7079 uM None
None Unchecked Ac50 0.968 uM None
None Unchecked AC50 544.4 nM None
None Unchecked AC50 610.8 nM None
None Unchecked AC50 685.3 nM None
None Unchecked AC50 707.9 nM None
None Unchecked Activity 1.4 um 10.1038/nchembio826
None Unchecked Activity 4.0 10'5/M 10.1021/jm200848t
None Unchecked Activity nan None 10.1016/j.bmc.2010.02.007
None Unchecked Activity nan None 10.1016/j.bmc.2017.04.013
None Unchecked Activity nan None 10.1016/j.bmcl.2011.12.023
None Unchecked Activity nan None 10.1016/j.ejmech.2015.10.052
None Unchecked Activity nan None 10.1016/j.ejmech.2016.09.048
None Unchecked Activity nan None 10.1016/j.ejmech.2017.11.037
None Unchecked Activity nan None 10.1021/acs.jmedchem.7b01634
None Unchecked Activity nan None 10.1039/C7MD00043J
None Unchecked EC 0.001 uM 10.1016/j.bmc.2016.11.041
None Unchecked EC 0.005 uM 10.1016/j.bmc.2016.11.041
None Unchecked EC 0.1 uM 10.1016/j.bmc.2016.11.041
None Unchecked EC150 1.0 uM 10.1021/acs.jmedchem.9b01100
None Unchecked EC50 100.0 nM None
None Unchecked EC50 183.0 nM None
None Unchecked EC50 195.0 nM None
None Unchecked EC50 203.0 nM None
None Unchecked EC50 2400.0 nM 10.1016/j.ejmech.2018.09.026
None Unchecked FC 1.5 None 10.1016/j.ejmech.2012.01.004
None Unchecked GI50 91.0 nM 10.1016/j.bmcl.2017.01.031
None Unchecked IC50 13.39 nM None
None Unchecked IC50 17.4 nM None
None Unchecked IC50 17.55 nM None
None Unchecked IC50 43.4 nM None
None Unchecked IC50 101.8 nM None
None Unchecked IC50 210.0 nM 10.1021/jm301891t
None Unchecked IC50 235.1 nM None
None Unchecked IC50 470.0 nM 10.1039/d3md00055a
None Unchecked IC50 480.0 nM 10.1016/j.ejmech.2018.09.026
None Unchecked IC50 760.0 nM 10.1016/j.bmcl.2020.127687
None Unchecked IC50 760.0 nM 10.1021/acs.jmedchem.6b01591
None Unchecked IC50 800.0 nM 10.1016/j.bmcl.2017.06.060
None Unchecked IC50 1320.0 nM 10.1016/j.bmc.2017.04.013
None Unchecked IC50 1590.0 nM 10.1016/j.ejmech.2016.09.060
None Unchecked IC50 1600.0 nM 10.1039/C7MD00450H
None Unchecked IC50 1800.0 nM 10.1039/C6MD00562D
None Unchecked IC50 1990.0 nM 10.1016/j.bmc.2020.115897
None Unchecked IC50 2640.0 nM 10.1016/j.ejmech.2017.07.033
None Unchecked IC50 10000.0 nM None
None Unchecked IC50 17000.0 nM 10.1021/acs.jmedchem.1c00354
None Unchecked IC50 18000.0 nM 10.1016/j.ejmech.2019.03.006
None Unchecked IC50 nan None None
None Unchecked Imax 85.0 % 10.1021/ml5000564
None Unchecked Inhibition 23.0 % 10.1016/j.ejmech.2018.09.026
None Unchecked Inhibition 51.7 % 10.1016/j.bmc.2017.04.013
None Unchecked Inhibition 58.9 % 10.1016/j.ejmech.2012.01.004
None Unchecked Inhibition 59.6 % 10.1016/j.bmc.2012.04.010
None Unchecked Inhibition 64.65 % 10.1016/j.bmc.2020.115897
None Unchecked Inhibition 65.47 % 10.1039/C7MD00450H
None Unchecked Inhibition 71.0 % 10.1016/j.ejmech.2016.09.060
None Unchecked Inhibition 74.0 % 10.1016/j.ejmech.2018.09.026
None Unchecked Inhibition nan % 10.1016/j.bmc.2017.04.013
None Unchecked Inhibition nan % 10.1016/j.bmc.2019.115154
None Unchecked Inhibition nan % 10.1016/j.bmcl.2017.06.060
None Unchecked Inhibition nan % 10.1016/j.ejmech.2012.08.021
None Unchecked Inhibition nan % 10.1016/j.ejmech.2016.07.002
None Unchecked Inhibition nan % 10.1016/j.ejmech.2018.05.028
None Unchecked Inhibition nan % 10.1021/acs.jmedchem.9b01100
None Unchecked Inhibition nan % 10.1021/acsmedchemlett.6b00483
None Unchecked Inhibition nan % 10.1021/jm1000979
None Unchecked Inhibition nan % 10.1021/jm200848t
None Unchecked Inhibition nan % 10.1021/jm400575x
None Unchecked Inhibition nan % 10.1021/ml5000564
None Unchecked Inhibition nan % 10.1038/nchembio873
None Unchecked Ki nan None None
None Unchecked Potency 7.3 nM None
None Unchecked Potency 70.8 nM None
None Unchecked Potency 100.0 nM None
None Unchecked Potency 158.5 nM None
None Unchecked Potency 177.8 nM None
None Unchecked Potency 251.2 nM None
None Unchecked Potency 446.7 nM None
None Unchecked Potency 501.2 nM None
None Unchecked Potency 580.5 nM None
None Unchecked Potency 1122.0 nM None
None Unchecked Potency 1258.9 nM None
None Unchecked Potency 2238.7 nM None
None Unchecked Potency 2511.9 nM None
None Unchecked Potency 3548.1 nM None
None Unchecked Potency 5011.9 nM None
None Unchecked Potency 7079.5 nM None
None Unchecked Potency 12589.3 nM None
None Unchecked Potency 28183.8 nM None
None Unchecked Potency 39810.7 nM None
None Unchecked Potency 89125.1 nM None
None Unchecked Vmax 7.6 milli optical density/minute 10.1016/j.ejmech.2020.112176

Metabolism Information