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name Structure Reference Source Properties Activities Metabolism

Dopamine

AlkaPlorer ID: AK002636

Synonym: 4-(2-Aminoethyl)-1,2-benzenediol, 2-(3,4-Dihydroxyphenyl)ethylamine, 3,4-Dihydroxyphenethylamine, Hydroxytyramine, Oxytyramine, Cardiosteril, Dopastat, Intropin, NSC 169105, ASL 279, Many other names

IUPAC Name: 2-(3,4-dihydroxyphenyl)ethylazanium

Structure

SMILES: [NH3+]CCC1=CC(O)=C(O)C=C1

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InChI: InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2/p+1

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InChIKey: VYFYYTLLBUKUHU-UHFFFAOYSA-O

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Homo sapiens Homo Hominidae Primates Mammalia Chordata Metazoa Eukaryota

Properties Information

Molecule Weight: 154.189

TPSA？: 68.10000000000001

MolLogP？: -0.1177999999999999

Number of H-Donors: 3

Number of H-Acceptors: 2

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Agaricus bisporus Tyrosinase Activity 439.0 /s 10.1016/j.ejmech.2009.03.025
Agaricus bisporus Tyrosinase Km 280000.0 nM 10.1016/j.ejmech.2013.09.040
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 1258.9 nM None
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 79432.8 nM None
Bos taurus Arginase-1 IC50 128000.0 nM 10.1039/d0md00011f
Bos taurus Dopamine D1 receptor IC50 200.0 nM 10.1016/S0960-894X(00)80265-6
Bos taurus Dopamine D1 receptor Ki 7.0 nM 10.1021/jm991098z
Bos taurus Dopamine D1 receptor Ki 36.0 nM 10.1021/jm991098z
Bos taurus Dopamine D1 receptor Ki 440.0 nM 10.1016/j.bmc.2013.01.065
Bos taurus Dopamine D1 receptor Ki 650.0 nM 10.1021/jm991098z
Bos taurus Dopamine D1 receptor Ki 1600.0 nM 10.1021/jm991098z
Bos taurus Dopamine D1 receptor Ki 4300.0 nM 10.1016/s0960-894x(00)00633-8
Bos taurus Dopamine D1 receptor Ki 4300.0 nM 10.1021/jm9708700
Bos taurus Dopamine D2 receptor Displacement nan None 10.1021/jm00150a010
Bos taurus Dopamine D2 receptor High 31.0 % 10.1021/jm00125a007
Bos taurus Dopamine D2 receptor IC50 4700.0 nM 10.1021/jm00390a009
Bos taurus Dopamine D2 receptor IC50 8000.0 nM 10.1016/S0960-894X(00)80265-6
Bos taurus Dopamine D2 receptor Kb 2350.0 nM 10.1021/jm00150a010
Bos taurus Dopamine D2 receptor K bind 2.35 uM 10.1021/jm00391a007
Bos taurus Dopamine D2 receptor K Bind 2.35 uM 10.1021/jm00159a010
Bos taurus Dopamine D2 receptor Ki 1.8 nM 10.1021/jm991098z
Bos taurus Dopamine D2 receptor Ki 11.0 nM 10.1021/jm991098z
Bos taurus Dopamine D2 receptor Ki 14.9 nM 10.1021/jm9708700
Bos taurus Dopamine D2 receptor Ki 34.0 nM 10.1021/jm00125a007
Bos taurus Dopamine D2 receptor Ki 51.0 nM 10.1021/jm991098z
Bos taurus Dopamine D2 receptor Ki 617.0 nM 10.1021/jm9708700
Bos taurus Dopamine D2 receptor Ki 1520.0 nM 10.1021/jm9708700
Bos taurus Dopamine D2 receptor Ki 1600.0 nM 10.1021/jm991098z
Bos taurus Dopamine D2 receptor Ki 2350.0 nM 10.1021/jm00160a018
Bos taurus Dopamine D2 receptor Ki 3380.0 nM 10.1021/jm00125a007
Bos taurus Dopamine D2 receptor Ki 12000000.0 nM 10.1021/jm991098z
Bos taurus Dopamine D2 receptor Low 69.0 % 10.1021/jm00125a007
Bos taurus Dopamine receptor IC50 3.7 nM 10.1021/jm00350a021
Bos taurus Dopamine receptor IC50 4.5 nM 10.1021/jm00350a021
Bos taurus Dopamine receptor IC50 64.0 nM 10.1021/jm00183a003
Bos taurus Dopamine receptor IC50 510.0 nM 10.1021/jm00354a010
Bos taurus Dopamine receptor IC50 1700.0 nM 10.1021/jm00183a003
Bos taurus Dopamine receptor IC50 10000.0 nM 10.1021/jm00350a021
Bos taurus Dopamine receptor IC50 150000.0 nM 10.1021/jm00354a010
Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast) Carbonic anhydrase KA 18.5 uM 10.1016/j.bmc.2009.12.058
Candida glabrata CBS 138 Carbonic anhydrase Ka 27.6 uM 10.1016/j.bmcl.2010.01.054
Canis lupus familiaris Beta-2 adrenergic receptor Ki 50000.0 nM 10.1021/jm990599h
Canis lupus familiaris Canis familiaris Activity nan None 10.1021/jm00202a017
Canis lupus familiaris Canis familiaris Average max 36.0 % 10.1021/jm00183a001
Canis lupus familiaris Canis familiaris Blockade 100.0 % 10.1016/0960-894X(95)00413-N
Canis lupus familiaris Canis familiaris BP -15.0 mmHg 10.1021/jm00139a013
Canis lupus familiaris Canis familiaris BP -5.0 mmHg 10.1021/jm00139a013
Canis lupus familiaris Canis familiaris Change in blood flow 1.0 None 10.1016/0960-894X(95)00413-N
Canis lupus familiaris Canis familiaris Decrease 43.0 % 10.1021/jm00161a029
Canis lupus familiaris Canis familiaris Decrease RVR 36.0 % 10.1021/jm00346a005
Canis lupus familiaris Canis familiaris ED15 2.7 ug kg-1 10.1021/jm00183a001
Canis lupus familiaris Canis familiaris ED15 2.7 ug kg-1 10.1021/jm00348a017
Canis lupus familiaris Canis familiaris ED15 3.5 ug kg-1 10.1021/jm00161a029
Canis lupus familiaris Canis familiaris ED20 378.0 ug kg-1 10.1021/jm00161a029
Canis lupus familiaris Canis familiaris ED30 5.5 nM 10.1021/jm00159a005
Canis lupus familiaris Canis familiaris ED30 151.0 ug kg-1 10.1021/jm00161a029
Canis lupus familiaris Canis familiaris HR 5.0 beats min-1 10.1021/jm00139a013
Canis lupus familiaris Canis familiaris HR 12.0 beats min-1 10.1021/jm00139a013
Canis lupus familiaris Canis familiaris Potency 58.1 nM kg-1 10.1021/jm00139a013
Canis lupus familiaris Canis familiaris Potency 125.0 nM kg-1 10.1021/jm00139a013
Canis lupus familiaris Canis familiaris RBF 9.0 ml min-1 10.1021/jm00159a005
Canis lupus familiaris Canis familiaris RBF 11.0 ml min-1 10.1021/jm00159a005
Canis lupus familiaris Canis familiaris RBF 14.0 ml min-1 10.1021/jm00159a005
Canis lupus familiaris Canis familiaris RBF 15.0 ml min-1 10.1021/jm00159a005
Canis lupus familiaris Canis familiaris RBF 54.0 ml min-1 10.1021/jm00159a005
Canis lupus familiaris Canis familiaris RBF 69.0 ml min-1 10.1021/jm00159a005
Canis lupus familiaris Canis familiaris RBF nan None 10.1021/jm00346a005
Canis lupus familiaris Canis familiaris RVR nan None 10.1021/jm00346a005
Canis lupus familiaris Canis familiaris RVR ED15 2.7 ug kg-1 10.1021/jm00346a005
Canis lupus familiaris Canis familiaris Vasodilation 50.0 % 10.1021/jm00348a018
Cavia porcellus Cavia porcellus EC50 1500.0 nM 10.1021/jm00139a013
Cavia porcellus Cavia porcellus EC50 1700.0 nM 10.1021/jm00139a013
Cavia porcellus Cavia porcellus RIA 1.0 None 10.1021/jm00139a013
Cavia porcellus Cavia porcellus RIA 1.15 None 10.1021/jm00139a013
Cricetulus griseus Don Inhibition 30.0 % 10.1021/jm00138a006
Cryptococcus neoformans var. grubii Carbonic anhydrase 2 KA 34.6 uM 10.1016/j.bmc.2009.12.058
Cryptosporidium parvum Cryptosporidium parvum IC50 nan None 10.1016/j.bmc.2010.01.068
Entamoeba histolytica Entamoeba histolytica IC50 nan None 10.1016/j.bmc.2010.01.068
Felis catus Felis catus ID50 0.105 umol.kg-1 10.1021/jm00354a010
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Potency 6294.6 nM None
Homo sapiens Acetylcholinesterase AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenylate cyclase type V Response 100.0 % 10.1021/jm00139a027
Homo sapiens Adrenergic receptor alpha-1 Ki 2511.89 nM 10.1016/0960-894X(95)00413-N
Homo sapiens Adrenergic receptor alpha-1 pD2 4.5 None 10.1016/S0960-894X(96)00518-5
Homo sapiens Adrenergic receptor alpha-2 pD2 5.9 None 10.1016/S0960-894X(96)00518-5
Homo sapiens Aldehyde dehydrogenase 1A1 Potency 31622.8 nM None
Homo sapiens Aldehyde dehydrogenase 1A1 Potency 35481.3 nM None
Homo sapiens Alpha-1a adrenergic receptor AC50 325.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor AC50 521.1 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor Activity nan None 10.1038/nchembio705
Homo sapiens Alpha-synuclein IC50 530.0 nM 10.1016/j.ejmech.2019.01.045
Homo sapiens Alpha-synuclein IC50 7100.0 nM 10.1016/j.ejmech.2019.01.045
Homo sapiens Amine oxidase, copper containing Activity 0.0 % 10.1021/jm051076e
Homo sapiens Androgen Receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Anthrax toxin receptor 2 IC50 300000.0 nM 10.1021/jm301558t
Homo sapiens Arachidonate 15-lipoxygenase Potency 6309.6 nM None
Homo sapiens Ataxin-2 Potency 22387.2 nM None
Homo sapiens Ataxin-2 Potency 31622.8 nM None
Homo sapiens ATP-dependent DNA helicase Q1 Potency 0.0316 nM None
Homo sapiens ATP-dependent DNA helicase Q1 Potency 1778.3 nM None
Homo sapiens ATP-dependent DNA helicase Q1 Potency 14125.4 nM None
Homo sapiens Beta-1 adrenergic receptor Inotropic effect 26.0 None 10.1021/jm00385a001
Homo sapiens Beta-2 adrenergic receptor Activity 86.4 % 10.1021/acs.jnatprod.7b00762
Homo sapiens Beta-2 adrenergic receptor Kd 64560.0 nM 10.1016/j.ejmech.2008.12.016
Homo sapiens Beta-2 adrenergic receptor Ki 61000.0 nM 10.1016/j.bmc.2016.04.028
Homo sapiens Bile salt export pump IC50 1000000.0 nM 10.1124/dmd.111.040758
Homo sapiens Bile salt export pump IC50 1000000.0 nM 10.1124/dmd.112.047068
Homo sapiens Caco-2 logPapp -5.03 None 10.1016/j.bmc.2009.08.022
Homo sapiens Caco-2 logPapp -5.03 None 10.1016/j.bmc.2011.03.011
Homo sapiens Carbonic anhydrase I Ka 13.5 uM 10.1016/j.bmc.2007.03.004
Homo sapiens Carbonic anhydrase I Ka 13.5 uM 10.1016/j.bmcl.2008.06.075
Homo sapiens Carbonic anhydrase I KA 13.5 uM 10.1016/j.bmc.2008.02.021
Homo sapiens Carbonic anhydrase I KA 13.5 uM 10.1016/j.bmc.2010.01.059
Homo sapiens Carbonic anhydrase I KA 13.5 uM 10.1016/j.bmc.2018.07.011
Homo sapiens Carbonic anhydrase I KA 13.5 uM 10.1016/j.bmcl.2006.05.023
Homo sapiens Carbonic anhydrase I KA 13.5 uM 10.1016/j.bmcl.2007.05.052
Homo sapiens Carbonic anhydrase I KA 13.5 uM 10.1016/j.bmcl.2008.10.005
Homo sapiens Carbonic anhydrase I KA 13.5 uM 10.1016/j.bmcl.2012.08.088
Homo sapiens Carbonic anhydrase I KA 13.5 uM 10.1016/j.bmcl.2012.12.009
Homo sapiens Carbonic anhydrase I KA 13.5 uM 10.1016/j.bmcl.2016.11.027
Homo sapiens Carbonic anhydrase II Ka 9.2 uM 10.1016/j.bmc.2007.03.004
Homo sapiens Carbonic anhydrase II Ka 9.2 uM 10.1016/j.bmcl.2008.06.075
Homo sapiens Carbonic anhydrase II Ka 9.2 uM 10.1016/j.bmcl.2009.01.105
Homo sapiens Carbonic anhydrase II Ka 9.2 uM 10.1016/j.bmcl.2010.01.054
Homo sapiens Carbonic anhydrase II KA 9.2 uM 10.1016/j.bmc.2008.02.021
Homo sapiens Carbonic anhydrase II KA 9.2 uM 10.1016/j.bmc.2010.01.059
Homo sapiens Carbonic anhydrase II KA 9.2 uM 10.1016/j.bmc.2018.07.011
Homo sapiens Carbonic anhydrase II KA 9.2 uM 10.1016/j.bmcl.2006.05.023
Homo sapiens Carbonic anhydrase II KA 9.2 uM 10.1016/j.bmcl.2007.05.052
Homo sapiens Carbonic anhydrase II KA 9.2 uM 10.1016/j.bmcl.2008.10.005
Homo sapiens Carbonic anhydrase II KA 9.2 uM 10.1016/j.bmcl.2012.08.088
Homo sapiens Carbonic anhydrase II KA 9.2 uM 10.1016/j.bmcl.2012.12.009
Homo sapiens Carbonic anhydrase II KA 9.2 uM 10.1016/j.bmcl.2016.11.027
Homo sapiens Carbonic anhydrase III Ka 33.2 uM 10.1016/j.bmcl.2008.06.075
Homo sapiens Carbonic anhydrase III KA 33.2 uM 10.1016/j.bmcl.2008.10.005
Homo sapiens Carbonic anhydrase IV Ka 30.9 uM 10.1016/j.bmcl.2008.06.075
Homo sapiens Carbonic anhydrase IV KA 30.9 uM 10.1016/j.bmcl.2009.05.026
Homo sapiens Carbonic anhydrase IX KA 0.92 uM 10.1016/j.bmc.2008.02.021
Homo sapiens Carbonic anhydrase VA KA 0.13 uM 10.1016/j.bmcl.2006.11.075
Homo sapiens Carbonic anhydrase VB KA 7.85 uM 10.1016/j.bmcl.2006.11.075
Homo sapiens Carbonic anhydrase VI Ka 21.0 uM 10.1016/j.bmc.2007.03.004
Homo sapiens Carbonic anhydrase VI KA 21.0 uM 10.1016/j.bmc.2010.01.059
Homo sapiens Carbonic anhydrase VII KA 0.89 uM 10.1016/j.bmcl.2007.05.052
Homo sapiens Carbonic anhydrase XII KA 0.67 uM 10.1016/j.bmc.2008.02.021
Homo sapiens Carbonic anhydrase XIV KA 14.6 uM 10.1016/j.bmcl.2007.05.052
Homo sapiens Catechol O-methyltransferase Drug metabolism nan None 10.1021/acs.jmedchem.6b01191
Homo sapiens Cellular tumor antigen p53 Potency 12589.3 nM None
Homo sapiens Cerebroside-sulfatase Potency 26854.5 nM None
Homo sapiens Cholesterol 24-hydroxylase Activity 83.0 % None
Homo sapiens Cyclooxygenase-1 AC50 726.5 nM 10.1038/s41467-023-40064-9
Homo sapiens Cyclooxygenase-1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cytochrome P450 1A2 AC50 nan None None
Homo sapiens Cytochrome P450 2C19 AC50 nan None None
Homo sapiens Cytochrome P450 2C9 AC50 nan None None
Homo sapiens Cytochrome P450 2D6 AC50 nan None None
Homo sapiens Cytochrome P450 2D6 Potency 31622.8 nM None
Homo sapiens Cytochrome P450 3A4 AC50 nan None None
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 891.3 nM None
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 1584.9 nM None
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 28183.8 nM None
Homo sapiens DNA polymerase iota Potency 89125.1 nM None
Homo sapiens DNA polymerase kappa Potency 8912.5 nM None
Homo sapiens DNA polymerase kappa Potency 39810.7 nM None
Homo sapiens DNA polymerase kappa Potency 89125.1 nM None
Homo sapiens Dopamine D1 and D2 receptor Selectivity index 1.3 None 10.1021/jm00171a014
Homo sapiens Dopamine D1 receptor AC50 753.3 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D1 receptor AC50 9499.9 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 EC50 20.0 nM 10.1016/j.bmc.2010.07.052
Homo sapiens Dopamine D1 receptor EC50 35.0 nM 10.1016/j.bmc.2007.06.036
Homo sapiens Dopamine D1 receptor EC50 39.0 nM 10.1016/j.bmc.2013.11.012
Homo sapiens Dopamine D1 receptor EC50 44.0 nM 10.1021/acsmedchemlett.9b00050
Homo sapiens Dopamine D1 receptor EC50 100.0 nM 10.1021/jm00018a002
Homo sapiens Dopamine D1 receptor EC50 120.0 nM 10.1021/jm0604979
Homo sapiens Dopamine D1 receptor EC50 232.0 nM 10.1021/acs.jmedchem.8b01622
Homo sapiens Dopamine D1 receptor EC50 1400.0 nM 10.1021/acsmedchemlett.9b00050
Homo sapiens Dopamine D1 receptor ED20 11.0 nM kg-1 10.1016/S0960-894X(96)00518-5
Homo sapiens Dopamine D1 receptor IA 100.0 % 10.1021/jm00018a002
Homo sapiens Dopamine D1 receptor Intrinsic activity 100.0 % 10.1016/j.bmc.2007.06.036
Homo sapiens Dopamine D1 receptor Intrinsic activity 100.0 % 10.1016/j.bmc.2010.07.052
Homo sapiens Dopamine D1 receptor Intrinsic activity 100.0 nM 10.1021/jm0604979
Homo sapiens Dopamine D1 receptor Kd 2500.0 nM 10.1021/jm950447w
Homo sapiens Dopamine D1 receptor Ki 124.0 nM 10.1016/j.bmc.2009.04.047
Homo sapiens Dopamine D1 receptor Ki 130.0 nM 10.1021/jm00018a002
Homo sapiens Dopamine D1 receptor Ki 192.0 nM 10.1021/jm00170a025
Homo sapiens Dopamine D1 receptor Ki 243.0 nM 10.1021/acs.jmedchem.8b01622
Homo sapiens Dopamine D1 receptor Ki 4470.0 nM 10.1021/jm301258w
Homo sapiens Dopamine D1 receptor Ki 12000.0 nM 10.1016/j.bmc.2013.05.014
Homo sapiens Dopamine D1 receptor Ki 12000.0 nM 10.1016/j.ejmech.2012.07.025
Homo sapiens Dopamine D1 receptor Ki 18200.0 nM 10.1021/jm9800292
Homo sapiens Dopamine D1 receptor Log 1/Kd -3.39 None 10.1021/jm950447w
Homo sapiens Dopamine D1 receptor Potency 51.7 nM None
Homo sapiens Dopamine D1 receptor Potency 82.0 nM None
Homo sapiens Dopamine D1 receptor Potency 100.0 nM None
Homo sapiens Dopamine D1 receptor Potency 251.2 nM None
Homo sapiens Dopamine D2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D2 receptor Activity 18.8 % 10.1021/jm960350p
Homo sapiens Dopamine D2 receptor Activity 75.0 % None
Homo sapiens Dopamine D2 receptor Activity 99.2 % 10.1016/j.ejmech.2020.112709
Homo sapiens Dopamine D2 receptor Activity 101.1 % 10.1021/acs.jmedchem.8b01096
Homo sapiens Dopamine D2 receptor Activity 101.3 % 10.1021/jm400408r
Homo sapiens Dopamine D2 receptor Activity 103.0 % 10.1016/j.ejmech.2016.07.038
Homo sapiens Dopamine D2 receptor Activity nan None 10.1021/acs.jmedchem.6b01857
Homo sapiens Dopamine D2 receptor Activity nan None 10.1021/jm5004039
Homo sapiens Dopamine D2 receptor EC50 0.67 nM 10.1021/acs.jmedchem.6b01857
Homo sapiens Dopamine D2 receptor EC50 0.69 nM 10.1016/j.ejmech.2016.07.038
Homo sapiens Dopamine D2 receptor EC50 0.78 nM 10.1021/acs.jmedchem.6b01857
Homo sapiens Dopamine D2 receptor EC50 0.8 nM 10.1021/acsmedchemlett.9b00050
Homo sapiens Dopamine D2 receptor EC50 0.99 nM 10.1016/j.bmc.2019.04.014
Homo sapiens Dopamine D2 receptor EC50 2.8 nM 10.1021/acs.jmedchem.6b01857
Homo sapiens Dopamine D2 receptor EC50 3.9 nM 10.1021/acs.jmedchem.6b01857
Homo sapiens Dopamine D2 receptor EC50 3.981 nM None
Homo sapiens Dopamine D2 receptor EC50 4.5 nM 10.1021/acs.jmedchem.6b01857
Homo sapiens Dopamine D2 receptor EC50 5.0 nM 10.1021/acs.jmedchem.5b01612
Homo sapiens Dopamine D2 receptor EC50 6.7 nM 10.1021/jm400408r
Homo sapiens Dopamine D2 receptor EC50 7.7 nM 10.1021/acs.jmedchem.5b01612
Homo sapiens Dopamine D2 receptor EC50 8.0 nM 10.1021/jm060662k
Homo sapiens Dopamine D2 receptor EC50 18.0 nM 10.1021/jm030505a
Homo sapiens Dopamine D2 receptor EC50 18.0 nM 10.1021/jm060662k
Homo sapiens Dopamine D2 receptor EC50 18.2 nM 10.1016/j.ejmech.2020.112709
Homo sapiens Dopamine D2 receptor EC50 19.0 nM 10.1021/acs.jmedchem.8b01096
Homo sapiens Dopamine D2 receptor EC50 36.0 nM 10.1016/j.bmc.2013.11.012
Homo sapiens Dopamine D2 receptor EC50 40.0 nM 10.1016/j.ejmech.2019.07.050
Homo sapiens Dopamine D2 receptor EC50 43.0 nM 10.1016/j.bmc.2007.06.036
Homo sapiens Dopamine D2 receptor EC50 65.0 nM 10.1021/jm301258w
Homo sapiens Dopamine D2 receptor EC50 140.0 nM 10.1021/acs.jmedchem.0c00424
Homo sapiens Dopamine D2 receptor EC50 156.0 nM 10.1021/acs.jmedchem.6b01857
Homo sapiens Dopamine D2 receptor EC50 160.0 nM 10.1021/acs.jmedchem.7b00363
Homo sapiens Dopamine D2 receptor EC50 163.0 nM 10.1021/acs.jmedchem.6b01857
Homo sapiens Dopamine D2 receptor EC50 170.0 nM 10.1021/jm00018a002
Homo sapiens Dopamine D2 receptor EC50 183.0 nM 10.1021/acs.jmedchem.5b01031
Homo sapiens Dopamine D2 receptor EC50 200.0 nM 10.1021/acs.jmedchem.7b00363
Homo sapiens Dopamine D2 receptor EC50 200.41 nM 10.1016/j.bmc.2022.117131
Homo sapiens Dopamine D2 receptor EC50 209.0 nM 10.1016/j.bmc.2009.04.031
Homo sapiens Dopamine D2 receptor EC50 209.0 nM 10.1016/j.bmc.2010.06.025
Homo sapiens Dopamine D2 receptor EC50 209.0 nM 10.1021/jm070860r
Homo sapiens Dopamine D2 receptor EC50 209.0 nM 10.1021/jm701524h
Homo sapiens Dopamine D2 receptor EC50 209.0 nM 10.1021/jm901184n
Homo sapiens Dopamine D2 receptor EC50 209.0 nM 10.1021/jm901618d
Homo sapiens Dopamine D2 receptor EC50 218.0 nM 10.1021/jm401883v
Homo sapiens Dopamine D2 receptor EC50 226.0 nM 10.1021/acs.jmedchem.6b01857
Homo sapiens Dopamine D2 receptor EC50 227.0 nM 10.1016/j.bmc.2013.03.059
Homo sapiens Dopamine D2 receptor EC50 227.0 nM 10.1021/jm300268s
Homo sapiens Dopamine D2 receptor EC50 240.0 nM 10.1021/ml3002117
Homo sapiens Dopamine D2 receptor EC50 376.0 nM 10.1016/j.bmc.2016.08.021
Homo sapiens Dopamine D2 receptor EC50 390.0 nM 10.1021/acs.jmedchem.7b00363
Homo sapiens Dopamine D2 receptor EC50 467.74 nM 10.1021/jm5004039
Homo sapiens Dopamine D2 receptor EC50 470.0 nM 10.1021/jm5004039
Homo sapiens Dopamine D2 receptor Efficacy 100.0 % 10.1021/jm030505a
Homo sapiens Dopamine D2 receptor Emax 87.0 % 10.1021/acs.jmedchem.6b01857
Homo sapiens Dopamine D2 receptor Emax 87.0 % 10.1021/jm5004039
Homo sapiens Dopamine D2 receptor Emax 90.0 % 10.1021/jm301258w
Homo sapiens Dopamine D2 receptor Emax 92.0 % 10.1021/acs.jmedchem.6b01857
Homo sapiens Dopamine D2 receptor Emax 93.0 % 10.1021/acs.jmedchem.7b00363
Homo sapiens Dopamine D2 receptor Emax 95.0 % 10.1021/acs.jmedchem.6b01857
Homo sapiens Dopamine D2 receptor Emax 96.0 % 10.1021/acs.jmedchem.7b00363
Homo sapiens Dopamine D2 receptor Emax 97.0 % 10.1021/acs.jmedchem.7b00363
Homo sapiens Dopamine D2 receptor Emax 100.0 % 10.1016/j.bmc.2010.06.025
Homo sapiens Dopamine D2 receptor Emax 100.0 % 10.1016/j.bmc.2013.03.059
Homo sapiens Dopamine D2 receptor Emax 100.0 % 10.1016/j.bmc.2022.117131
Homo sapiens Dopamine D2 receptor Emax 100.0 % 10.1021/acs.jmedchem.6b01857
Homo sapiens Dopamine D2 receptor Emax 100.0 % 10.1021/jm401883v
Homo sapiens Dopamine D2 receptor Emax 100.0 % 10.1021/jm901689v
Homo sapiens Dopamine D2 receptor Emax 102.0 % 10.1021/acs.jmedchem.6b01857
Homo sapiens Dopamine D2 receptor Emax 102.0 % 10.1021/jm5004039
Homo sapiens Dopamine D2 receptor Emax 113.0 % 10.1021/acs.jmedchem.6b01857
Homo sapiens Dopamine D2 receptor Emax 115.0 % 10.1021/acs.jmedchem.6b01857
Homo sapiens Dopamine D2 receptor IA 100.0 % 10.1021/jm00018a002
Homo sapiens Dopamine D2 receptor IC50 8e-06 nM 10.1021/jm00382a002
Homo sapiens Dopamine D2 receptor Inhibition 16.0 % 10.1016/s0960-894x(99)00345-5
Homo sapiens Dopamine D2 receptor Intrinsic activity 100.0 % 10.1016/j.bmc.2007.06.036
Homo sapiens Dopamine D2 receptor Ki 1.89 nM 10.1016/s0960-894x(99)00345-5
Homo sapiens Dopamine D2 receptor Ki 1.89 nM 10.1021/jm960350p
Homo sapiens Dopamine D2 receptor Ki 2.9 nM 10.1021/jm901689v
Homo sapiens Dopamine D2 receptor Ki 8.0 nM 10.1021/jm401318w
Homo sapiens Dopamine D2 receptor Ki 8.73 nM 10.1021/acs.jmedchem.5b01612
Homo sapiens Dopamine D2 receptor Ki 16.0 nM 10.1021/acs.jmedchem.6b01875
Homo sapiens Dopamine D2 receptor Ki 17.0 nM 10.1021/jm991098z
Homo sapiens Dopamine D2 receptor Ki 20.0 nM 10.1021/jm991098z
Homo sapiens Dopamine D2 receptor Ki 34.0 nM 10.1021/jm991098z
Homo sapiens Dopamine D2 receptor Ki 42.0 nM 10.1021/jm991098z
Homo sapiens Dopamine D2 receptor Ki 48.0 nM 10.1016/j.bmc.2016.04.028
Homo sapiens Dopamine D2 receptor Ki 110.0 nM 10.1016/j.bmc.2013.01.065
Homo sapiens Dopamine D2 receptor Ki 190.0 nM 10.1016/j.bmc.2013.01.065
Homo sapiens Dopamine D2 receptor Ki 260.0 nM 10.1021/jm00018a002
Homo sapiens Dopamine D2 receptor Ki 360.0 nM 10.1021/jm800895v
Homo sapiens Dopamine D2 receptor Ki 422.0 nM 10.1021/jm301258w
Homo sapiens Dopamine D2 receptor Ki 450.0 nM 10.1021/jm800895v
Homo sapiens Dopamine D2 receptor Ki 572.0 nM 10.1021/jm960350p
Homo sapiens Dopamine D2 receptor Ki 759.0 nM 10.1016/s0960-894x(99)00345-5
Homo sapiens Dopamine D2 receptor Ki 1100.0 nM 10.1021/jm991098z
Homo sapiens Dopamine D2 receptor Ki 1900.0 nM 10.1021/jm991098z
Homo sapiens Dopamine D2 receptor Ki 2100.0 nM 10.1016/j.bmc.2013.05.014
Homo sapiens Dopamine D2 receptor Ki 2100.0 nM 10.1016/j.ejmech.2012.07.025
Homo sapiens Dopamine D2 receptor Ki 2100.0 nM 10.1021/jm901689v
Homo sapiens Dopamine D2 receptor Ki 3690.0 nM 10.1021/acs.jmedchem.5b01612
Homo sapiens Dopamine D2 receptor Ki 7940.0 nM 10.1021/jm9800292
Homo sapiens Dopamine D2 receptor Ki 15000.0 nM 10.1021/jm991098z
Homo sapiens Dopamine D2 receptor Ki nan None 10.1021/jm0604979
Homo sapiens Dopamine D2 receptor KiH 58.0 nM 10.1021/jm401318w
Homo sapiens Dopamine D2 receptor KiL 3420.0 nM 10.1021/jm401318w
Homo sapiens Dopamine D2 receptor log(activity) 0.79 None 10.1021/jm500457x
Homo sapiens Dopamine D2 receptor %max 100.0 % 10.1021/acs.jmedchem.5b01612
Homo sapiens Dopamine D2 receptor nH 0.65 None 10.1016/s0960-894x(99)00345-5
Homo sapiens Dopamine D2 receptor nH 0.66 None 10.1021/jm960350p
Homo sapiens Dopamine D2 receptor pD2 7.4 None 10.1016/S0960-894X(96)00518-5
Homo sapiens Dopamine D2 receptor pKA 7.98 None 10.1021/jm500457x
Homo sapiens Dopamine D2 receptor Ratio 8.5 None 10.1021/acs.jmedchem.5b01031
Homo sapiens Dopamine D2 receptor Ratio 8.56 None 10.1021/jm500457x
Homo sapiens Dopamine D2 receptor Ratio 8.72 None 10.1021/jm500457x
Homo sapiens Dopamine D2 receptor Ratio 400.0 None 10.1016/s0960-894x(99)00345-5
Homo sapiens Dopamine D2 receptor Ratio EC50 2.0 None 10.1021/acs.jmedchem.7b00363
Homo sapiens Dopamine D2 receptor Ratio Ki 724.0 None 10.1021/jm901689v
Homo sapiens Dopamine D3 receptor AC50 0.4 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D3 receptor AC50 43.7 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D3 receptor Activity 19.8 % 10.1021/jm960350p
Homo sapiens Dopamine D3 receptor Activity 100.1 % 10.1021/acs.jmedchem.8b01096
Homo sapiens Dopamine D3 receptor Activity 100.3 % 10.1021/jm400408r
Homo sapiens Dopamine D3 receptor Activity nan None 10.1021/acs.jmedchem.6b01857
Homo sapiens Dopamine D3 receptor EC50 0.11 nM 10.1021/acs.jmedchem.9b01835
Homo sapiens Dopamine D3 receptor EC50 0.8913 nM 10.1021/acs.jmedchem.1c00611
Homo sapiens Dopamine D3 receptor EC50 1.1 nM 10.1021/acs.jmedchem.0c00424
Homo sapiens Dopamine D3 receptor EC50 1.8 nM 10.1021/acs.jmedchem.5b01612
Homo sapiens Dopamine D3 receptor EC50 1.8 nM 10.1021/jm400408r
Homo sapiens Dopamine D3 receptor EC50 2.1 nM 10.1021/acs.jmedchem.8b01096
Homo sapiens Dopamine D3 receptor EC50 2.3 nM 10.1021/acs.jmedchem.0c00424
Homo sapiens Dopamine D3 receptor EC50 2.7 nM 10.1021/acs.jmedchem.5b01612
Homo sapiens Dopamine D3 receptor EC50 2.9 nM 10.1021/acs.jmedchem.0c00424
Homo sapiens Dopamine D3 receptor EC50 3.5 nM 10.1021/acs.jmedchem.0c00424
Homo sapiens Dopamine D3 receptor EC50 4.76 nM 10.1016/j.bmc.2010.06.025
Homo sapiens Dopamine D3 receptor EC50 4.76 nM 10.1021/jm901618d
Homo sapiens Dopamine D3 receptor EC50 5.34 nM 10.1021/acs.jmedchem.5b01031
Homo sapiens Dopamine D3 receptor EC50 5.8 nM 10.1021/ml3002117
Homo sapiens Dopamine D3 receptor EC50 6.1 nM 10.1021/jm301258w
Homo sapiens Dopamine D3 receptor EC50 6.13 nM 10.1016/j.bmc.2022.117131
Homo sapiens Dopamine D3 receptor EC50 6.4 nM 10.1021/acs.jmedchem.0c00424
Homo sapiens Dopamine D3 receptor EC50 7.26 nM 10.1016/j.bmc.2016.08.021
Homo sapiens Dopamine D3 receptor EC50 7.64 nM 10.1016/j.bmc.2013.03.059
Homo sapiens Dopamine D3 receptor EC50 8.53 nM 10.1016/j.bmc.2009.04.031
Homo sapiens Dopamine D3 receptor EC50 8.53 nM 10.1021/jm070860r
Homo sapiens Dopamine D3 receptor EC50 8.53 nM 10.1021/jm701524h
Homo sapiens Dopamine D3 receptor EC50 8.53 nM 10.1021/jm901184n
Homo sapiens Dopamine D3 receptor EC50 8.57 nM 10.1021/jm300268s
Homo sapiens Dopamine D3 receptor EC50 9.3 nM 10.1021/jm5004039
Homo sapiens Dopamine D3 receptor EC50 9.333 nM 10.1021/jm5004039
Homo sapiens Dopamine D3 receptor EC50 10.6 nM 10.1021/jm401883v
Homo sapiens Dopamine D3 receptor EC50 33.0 nM 10.1021/acs.jmedchem.0c00424
Homo sapiens Dopamine D3 receptor EC50 55.0 nM 10.1021/acs.jmedchem.0c00424
Homo sapiens Dopamine D3 receptor EC50 820.0 nM 10.1021/acs.jmedchem.0c00424
Homo sapiens Dopamine D3 receptor EC50 nan None 10.1021/acs.jmedchem.9b01835
Homo sapiens Dopamine D3 receptor Emax 88.0 % 10.1021/acs.jmedchem.1c00611
Homo sapiens Dopamine D3 receptor Emax 97.0 % 10.1021/jm5004039
Homo sapiens Dopamine D3 receptor Emax 100.0 % 10.1016/j.bmc.2010.06.025
Homo sapiens Dopamine D3 receptor Emax 100.0 % 10.1016/j.bmc.2013.03.059
Homo sapiens Dopamine D3 receptor Emax 100.0 % 10.1016/j.bmc.2022.117131
Homo sapiens Dopamine D3 receptor Emax 100.0 % 10.1021/jm301258w
Homo sapiens Dopamine D3 receptor Emax 100.0 % 10.1021/jm401883v
Homo sapiens Dopamine D3 receptor Emax nan None 10.1021/acs.jmedchem.9b01835
Homo sapiens Dopamine D3 receptor Ki 2.97 nM 10.1021/acs.jmedchem.6b01875
Homo sapiens Dopamine D3 receptor Ki 7.58 nM 10.1021/acs.jmedchem.5b01612
Homo sapiens Dopamine D3 receptor Ki 13.2 nM 10.1021/jm960350p
Homo sapiens Dopamine D3 receptor Ki 15.0 nM 10.1016/j.bmc.2013.05.014
Homo sapiens Dopamine D3 receptor Ki 15.0 nM 10.1016/j.ejmech.2012.07.025
Homo sapiens Dopamine D3 receptor Ki 20.0 nM 10.1021/jm301258w
Homo sapiens Dopamine D3 receptor Ki 21.0 nM 10.1016/j.bmc.2013.01.065
Homo sapiens Dopamine D3 receptor Ki 50.0 nM 10.1021/jm991098z
Homo sapiens Dopamine D3 receptor Ki 52.0 nM 10.1021/jm991098z
Homo sapiens Dopamine D3 receptor Ki 72.0 nM 10.1021/jm800895v
Homo sapiens Dopamine D3 receptor Ki 240.0 nM 10.1021/jm800895v
Homo sapiens Dopamine D3 receptor Ki 290.0 nM 10.1021/jm991098z
Homo sapiens Dopamine D3 receptor Ki 293.0 nM 10.1021/acs.jmedchem.5b01612
Homo sapiens Dopamine D3 receptor Ki 1100.0 nM 10.1021/jm800895v
Homo sapiens Dopamine D3 receptor Ki 1600.0 nM 10.1021/jm991098z
Homo sapiens Dopamine D3 receptor Ki 80000.0 nM 10.1021/jm800895v
Homo sapiens Dopamine D3 receptor %max 100.0 % 10.1021/acs.jmedchem.5b01612
Homo sapiens Dopamine D3 receptor %max 106.0 % 10.1021/acs.jmedchem.5b01612
Homo sapiens Dopamine D3 receptor nH 0.68 None 10.1021/jm960350p
Homo sapiens Dopamine D3 receptor Ratio 31.3 None 10.1021/acs.jmedchem.5b01031
Homo sapiens Dopamine D4 receptor EC50 1.8 nM 10.1021/acsmedchemlett.9b00050
Homo sapiens Dopamine D4 receptor EC50 2.2 nM 10.1021/jm030505a
Homo sapiens Dopamine D4 receptor EC50 2.2 nM 10.1021/jm060662k
Homo sapiens Dopamine D4 receptor EC50 10.0 nM 10.1021/jm0604979
Homo sapiens Dopamine D4 receptor EC50 12.3 nM 10.1021/acs.jmedchem.8b00265
Homo sapiens Dopamine D4 receptor EC50 14.79 nM 10.1021/acs.jmedchem.2c00840
Homo sapiens Dopamine D4 receptor EC50 20.89 nM 10.1021/acs.jmedchem.2c00840
Homo sapiens Dopamine D4 receptor EC50 91.2 nM 10.1021/acs.jmedchem.8b00265
Homo sapiens Dopamine D4 receptor EC50 269.15 nM 10.1021/acs.jmedchem.2c00840
Homo sapiens Dopamine D4 receptor Efficacy 100.0 % 10.1021/jm030505a
Homo sapiens Dopamine D4 receptor Emax 100.0 % 10.1021/acs.jmedchem.2c00840
Homo sapiens Dopamine D4 receptor Intrinsic activity 100.0 nM 10.1021/jm0604979
Homo sapiens Dopamine D4 receptor Ki 1.2 nM 10.1021/jm991098z
Homo sapiens Dopamine D4 receptor Ki 6.2 nM 10.1021/jm800895v
Homo sapiens Dopamine D4 receptor Ki 8.9 nM 10.1016/j.bmc.2013.01.065
Homo sapiens Dopamine D4 receptor Ki 57.0 nM 10.1021/jm991098z
Homo sapiens Dopamine D4 receptor Ki 62.0 nM 10.1021/jm991098z
Homo sapiens Dopamine D4 receptor Ki 97.0 nM 10.1021/jm991098z
Homo sapiens Dopamine D5 receptor EC50 2.0 nM 10.1021/acsmedchemlett.9b00050
Homo sapiens Dopamine D5 receptor Ki 2440.0 nM 10.1021/jm040889k
Homo sapiens Dopamine receptor IC50 15.0 nM 10.1021/jm00372a019
Homo sapiens Dopamine receptor Total binding inhibited 50.0 % 10.1021/jm00372a019
Homo sapiens Dopamine receptors; D2 & D4 Ratio 9.0 None 10.1016/s0960-894x(00)00633-8
Homo sapiens Dopamine transporter AC50 772.6 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine transporter Activity 10000.0 % 10.1016/j.bmc.2009.11.032
Homo sapiens Dopamine transporter IC50 460.0 nM 10.1016/j.bmcl.2003.07.014
Homo sapiens Dopamine transporter Ki 6400.0 nM 10.1016/j.bmcl.2003.07.014
Homo sapiens Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 501.2 nM None
Homo sapiens Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 15848.9 nM None
Homo sapiens Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 31622.8 nM None
Homo sapiens Estrogen receptor alpha AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Flap endonuclease 1 Potency 843.7 nM None
Homo sapiens Flap endonuclease 1 Potency 89125.1 nM None
Homo sapiens Galactocerebrosidase Potency 4466.8 nM 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 Glutaminase kidney isoform, mitochondrial Potency 22387.2 nM None
Homo sapiens HEK-293T Activity nan None 10.1021/acs.jmedchem.6b01857
Homo sapiens HERG AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histone deacetylase 6 Inhibition -41.31 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition -3.48 % 10.6019/CHEMBL4808148
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 8912.5 nM None
Homo sapiens Homo sapiens DILI_Concern nan None 10.1016/j.drudis.2016.02.015
Homo sapiens Homo sapiens DILI_severity_class 0.0 None 10.1016/j.drudis.2016.02.015
Homo sapiens Hypoxia-inducible factor 1 alpha Potency 10000.0 nM None
Homo sapiens Lysine-specific demethylase 4D-like IC50 3000.0 nM 10.1039/C1MD00199J
Homo sapiens Lysine-specific demethylase 4D-like Potency 15848.9 nM None
Homo sapiens MAP kinase ERK2 Potency 28183.8 nM None
Homo sapiens Melatonin receptor 1A Ki 7100.0 nM 10.1016/S0960-894X(97)00444-7
Homo sapiens Melatonin receptor 1B Ki 9100.0 nM 10.1016/S0960-894X(97)00444-7
Homo sapiens Microtubule-associated protein tau Potency 1584.9 nM None
Homo sapiens Microtubule-associated protein tau Potency 5011.9 nM None
Homo sapiens Monoamine oxidase A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens M-phase phosphoprotein 8 Potency 1062.1 nM None
Homo sapiens Mu opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M1 AC50 30000.0 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 Norepinephrine transporter AC50 8905.5 nM 10.1038/s41467-023-40064-9
Homo sapiens Norepinephrine transporter IC50 6.63 nM 10.1016/j.bmcl.2003.07.014
Homo sapiens Norepinephrine transporter Ki 28000.0 nM 10.1016/j.bmcl.2003.07.014
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 Plasma fCmax 0.077 uM 10.1124/dmd.111.040758
Homo sapiens Progesterone receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serine/threonine-protein kinase mTOR Potency 23280.9 nM None
Homo sapiens Serine/threonine-protein kinase mTOR Potency 26121.6 nM None
Homo sapiens Serotonin 1a (5-HT1a) receptor AC50 4993.6 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2a (5-HT2a) receptor Activity 75.0 % None
Homo sapiens Serotonin 2a (5-HT2a) receptor pEC50 nan None None
Homo sapiens Serotonin 2b (5-HT2b) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2c (5-HT2c) receptor Activity 75.0 % None
Homo sapiens Serotonin 2c (5-HT2c) receptor EC50 nan None 10.1021/acs.jmedchem.9b01835
Homo sapiens Serotonin 2c (5-HT2c) receptor Emax nan None 10.1021/acs.jmedchem.9b01835
Homo sapiens Serotonin 2c (5-HT2c) receptor IC50 nan None 10.1021/acs.jmedchem.9b01835
Homo sapiens Serotonin 2c (5-HT2c) receptor pEC50 nan None None
Homo sapiens Serotonin transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin transporter IC50 30000.0 nM 10.1016/j.bmcl.2003.07.014
Homo sapiens Serotonin transporter Ki 1100000.0 nM 10.1016/j.bmcl.2003.07.014
Homo sapiens SH-SY5Y Activity nan None 10.1021/acs.jmedchem.1c00252
Homo sapiens SH-SY5Y Potency 31622.8 nM None
Homo sapiens Solute carrier family 22 member 1 Activity 487.0 uM 10.1124/mol.63.3.489
Homo sapiens Solute carrier family 22 member 1 Activity nan None None
Homo sapiens Solute carrier family 22 member 1 Inhibition 11.8 % 10.1021/jm8003152
Homo sapiens Solute carrier family 22 member 2 Activity nan None 10.1097/01.asn.0000019413.78751.46
Homo sapiens Solute carrier family 22 member 2 Km 330000.0 nM 10.1124/mol.54.2.342
Homo sapiens Solute carrier family 22 member 2 Km 390000.0 nM 10.1124/mol.54.2.342
Homo sapiens Solute carrier family 22 member 2 Km 520000.0 nM 10.1124/mol.54.2.342
Homo sapiens Sulfotransferase 1A1 Activity nan None None
Homo sapiens Sulfotransferase 1A3/1A4 Activity nan None None
Homo sapiens Sulfotransferase family cytosolic 1B member 1 Activity nan None None
Homo sapiens Thrombin AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Thrombopoietin Potency 3162.3 nM None
Homo sapiens Thromboxane A2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Trace amine-associated receptor 1 EC50 1710.0 nM 10.1021/acsmedchemlett.1c00527
Homo sapiens Trace amine-associated receptor 1 Emax 97.0 % 10.1021/acsmedchemlett.1c00527
Homo sapiens Type-1 angiotensin II receptor AC50 100000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Tyrosinase Inhibition 10.0 % 10.1016/j.bmcl.2006.01.022
Homo sapiens Tyrosine-protein kinase FYN IC50 100000.0 nM 10.1016/S0960-894X(96)00589-6
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 446.7 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 1258.9 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 4109.5 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 5173.5 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 18837.5 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 29855.4 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 31622.8 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 35481.3 nM None
Homo sapiens UDP-glucuronosyltransferase 1-1 Activity 0.0 pm/min/mg 10.1146/annurev.pharmtox.40.1.581
Homo sapiens UDP-glucuronosyltransferase 1-10 Activity 0.0 pm/min/mg 10.1146/annurev.pharmtox.40.1.581
Homo sapiens UDP-glucuronosyltransferase 1-7 Activity 0.0 pm/min/mg 10.1146/annurev.pharmtox.40.1.581
Homo sapiens UDP-glucuronosyltransferase 1A4 Activity 0.0 pm/min/mg 10.1146/annurev.pharmtox.40.1.581
Homo sapiens UDP-glucuronosyltransferase 2B15 Activity 0.0 pm/min/mg 10.1146/annurev.pharmtox.40.1.581
Homo sapiens UDP-glucuronosyltransferase 2B7 Activity 0.0 pm/min/mg 10.1146/annurev.pharmtox.40.1.581
Homo sapiens Vascular endothelial growth factor receptor 2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens YT-NU Inhibition 40.0 % 10.1021/jm00138a006
Leishmania amazonensis Leishmania amazonensis IC50 nan None 10.1016/j.bmc.2010.01.068
Leishmania donovani Leishmania donovani IC50 nan None 10.1016/j.bmc.2010.01.068
Leishmania infantum Leishmania infantum IC50 nan None 10.1016/j.bmc.2010.01.068
Leishmania major 2,3-bisphosphoglycerate-independent phosphoglycerate mutase Potency 23934.1 nM None
Leishmania major Leishmania major IC50 nan None 10.1016/j.bmc.2010.01.068
Leishmania mexicana Leishmania mexicana IC50 nan None 10.1016/j.bmc.2010.01.068
Methanobacterium thermoautotrophicum Carbonic anhydrase Ka 51.0 uM 10.1016/j.bmcl.2010.01.054
Methanosarcina thermophila Carbonic anhydrase KA 54.0 uM 10.1016/j.bmcl.2016.11.027
Mus musculus Amine oxidase, copper containing Activity 0.0 % 10.1021/jm051076e
Mus musculus Carbonic anhydrase 15 KA 7.1 uM 10.1016/j.bmcl.2009.05.026
Mus musculus Carbonic anhydrase XIII KA 27.0 uM 10.1016/j.bmcl.2006.05.023
Mus musculus Monoamine oxidase A Activity nan None 10.1021/jm800656v
Mus musculus Monoamine oxidase B Activity nan None 10.1021/jm800656v
Mus musculus Mus musculus IC50 10000.0 nM 10.1021/jm00371a021
Mus musculus Mus musculus Permeability nan None 10.1021/jm990968+
Mus musculus RAW264.7 EC50 18000.0 nM 10.1021/acs.jnatprod.7b00762
Mus musculus RAW264.7 Inhibition nan % 10.1021/acs.jnatprod.7b00762
Mus musculus Solute carrier family 22 member 5 Activity 70.9 % 10.1124/mol.59.2.358
Oryctolagus cuniculus Oryctolagus cuniculus EC50 38.0 nM 10.1021/jm00155a024
Oryctolagus cuniculus Oryctolagus cuniculus EC50 73.0 nM 10.1021/jm00156a010
Oryctolagus cuniculus Oryctolagus cuniculus EC50 76.0 nM 10.1021/jm00390a009
Oryctolagus cuniculus Oryctolagus cuniculus ED50 37.0 nM 10.1021/jm00150a010
Oryctolagus cuniculus Oryctolagus cuniculus ED50 37.0 uM 10.1021/jm00159a010
Plasmodium falciparum Plasmodium falciparum IC50 nan None 10.1016/j.bmc.2010.01.068
Plasmodium falciparum Plasmodium falciparum Potency 16944.1 nM None
Pneumocystis carinii Pneumocystis carinii IC50 nan None 10.1016/j.bmc.2010.01.068
Rattus norvegicus Adenosine A2b receptor Ki 977.24 nM 10.1016/0960-894X(95)00413-N
Rattus norvegicus Adenylate cyclase Activity 150.0 % 10.1021/jm00202a017
Rattus norvegicus Adenylate cyclase Cyclase stimulation 58.0 % 10.1021/jm00350a021
Rattus norvegicus Adenylate cyclase EC50 3500.0 nM 10.1021/jm00348a017
Rattus norvegicus Adrenergic receptor alpha-1 IC50 90000.0 nM 10.1021/jm00152a004
Rattus norvegicus Adrenergic receptor alpha-1 Ki 14000.0 nM 10.1021/jm990599h
Rattus norvegicus Adrenergic receptor alpha-2 Ki 58.0 nM 10.1021/jm990599h
Rattus norvegicus Adrenergic receptor alpha-2 Ki nan None 10.1016/j.bmc.2010.08.005
Rattus norvegicus Beta-1 adrenergic receptor Ki 10000.0 nM 10.1021/jm990599h
Rattus norvegicus Bile salt export pump IC50 1000000.0 nM 10.1124/dmd.111.040758
Rattus norvegicus cyclic AMP phosphoprotein EC50 3500.0 nM 10.1021/jm00367a006
Rattus norvegicus Dopamine D1 receptor Activity 60.0 % 10.1021/acs.jmedchem.8b01622
Rattus norvegicus Dopamine D1 receptor EC50 3.5 None 10.1021/jm00150a010
Rattus norvegicus Dopamine D1 receptor EC50 3500.0 nM 10.1021/jm00390a009
Rattus norvegicus Dopamine D1 receptor EC50 5000.0 nM 10.1021/jm9502100
Rattus norvegicus Dopamine D1 receptor ED50 3.5 uM 10.1021/jm00159a010
Rattus norvegicus Dopamine D1 receptor IC50 800.0 nM 10.1021/jm00168a034
Rattus norvegicus Dopamine D1 receptor IC50 3000.0 nM 10.1021/jm00171a014
Rattus norvegicus Dopamine D1 receptor IC50 3700.0 nM 10.1021/jm00101a018
Rattus norvegicus Dopamine D1 receptor Inhibition 104.0 % 10.1021/jm00101a018
Rattus norvegicus Dopamine D1 receptor Inhibition 110.0 % 10.1021/jm00101a018
Rattus norvegicus Dopamine D1 receptor Inhibition 113.0 % 10.1021/jm00101a018
Rattus norvegicus Dopamine D1 receptor Inhibition 151.0 % 10.1021/jm00101a018
Rattus norvegicus Dopamine D1 receptor Inhibition nan % 10.1021/jm00150a010
Rattus norvegicus Dopamine D1 receptor K0.5 267.0 nM 10.1021/jm9502100
Rattus norvegicus Dopamine D1 receptor K bind 0.15 uM 10.1021/jm00391a007
Rattus norvegicus Dopamine D1 receptor K bind 150.0 nM 10.1021/jm00390a009
Rattus norvegicus Dopamine D1 receptor K Bind 0.15 uM 10.1021/jm00159a010
Rattus norvegicus Dopamine D1 receptor Ki 150.0 nM 10.1021/jm00160a018
Rattus norvegicus Dopamine D1 receptor Ki 309.03 nM 10.1016/0960-894X(95)00413-N
Rattus norvegicus Dopamine D1 receptor Ki 416.87 nM 10.1021/jm991034o
Rattus norvegicus Dopamine D1 receptor Ki 1000.0 nM 10.1021/jm960318v
Rattus norvegicus Dopamine D1 receptor Ki 4400.0 nM 10.1021/jm00160a016
Rattus norvegicus Dopamine D1 receptor KL 580.0 nM 10.1021/jm950447w
Rattus norvegicus Dopamine D1 receptor Ratio 1.06 None 10.1021/jm00101a018
Rattus norvegicus Dopamine D2 receptor EC50 1.1 nM 10.1021/jm030505a
Rattus norvegicus Dopamine D2 receptor EC50 1.1 nM 10.1021/jm060662k
Rattus norvegicus Dopamine D2 receptor EC50 5.0 nM 10.1021/jm0604979
Rattus norvegicus Dopamine D2 receptor EC50 8.0 nM 10.1021/jm030505a
Rattus norvegicus Dopamine D2 receptor EC50 1425.0 nM 10.1016/j.bmc.2009.04.047
Rattus norvegicus Dopamine D2 receptor Efficacy 100.0 % 10.1021/jm030505a
Rattus norvegicus Dopamine D2 receptor IC50 1200.0 nM 10.1021/jm00152a004
Rattus norvegicus Dopamine D2 receptor IC50 1500.0 nM 10.1021/jm00168a034
Rattus norvegicus Dopamine D2 receptor IC50 1700.0 nM 10.1021/jm00118a031
Rattus norvegicus Dopamine D2 receptor IC50 1860.0 nM 10.1021/jm00118a031
Rattus norvegicus Dopamine D2 receptor IC50 2200.0 nM 10.1021/jm00171a014
Rattus norvegicus Dopamine D2 receptor IC50 3045.0 nM 10.1021/jm00105a029
Rattus norvegicus Dopamine D2 receptor IC50 3140.0 nM 10.1007/s00044-004-0006-x
Rattus norvegicus Dopamine D2 receptor IC50 3260.0 nM 10.1007/s00044-004-0006-x
Rattus norvegicus Dopamine D2 receptor IC50 3500.0 nM 10.1021/jm00101a018
Rattus norvegicus Dopamine D2 receptor IC50 5340.0 nM 10.1021/jm00367a006
Rattus norvegicus Dopamine D2 receptor Inhibition 83.0 % 10.1021/jm00101a018
Rattus norvegicus Dopamine D2 receptor Inhibition 87.0 % 10.1021/jm00101a018
Rattus norvegicus Dopamine D2 receptor Inhibition 92.0 % 10.1021/jm00101a018
Rattus norvegicus Dopamine D2 receptor Inhibition 95.0 % 10.1021/jm00101a018
Rattus norvegicus Dopamine D2 receptor Intrinsic activity 100.0 nM 10.1021/jm0604979
Rattus norvegicus Dopamine D2 receptor K0.5 36.0 nM 10.1021/jm9502100
Rattus norvegicus Dopamine D2 receptor Kd 6200.0 nM 10.1021/jm990526y
Rattus norvegicus Dopamine D2 receptor Kd 17000.0 nM 10.1021/jm950447w
Rattus norvegicus Dopamine D2 receptor Kd 37000.0 nM 10.1021/jm990526y
Rattus norvegicus Dopamine D2 receptor Kd 49000.0 nM 10.1021/jm990526y
Rattus norvegicus Dopamine D2 receptor Kd 267000.0 nM 10.1021/jm990526y
Rattus norvegicus Dopamine D2 receptor Ki 15.0 nM 10.1021/jm00160a016
Rattus norvegicus Dopamine D2 receptor Ki 104.71 nM 10.1016/0960-894X(95)00413-N
Rattus norvegicus Dopamine D2 receptor Ki 197.0 nM 10.1016/j.bmc.2009.04.047
Rattus norvegicus Dopamine D2 receptor Ki 296.0 nM 10.1021/jm00400a027
Rattus norvegicus Dopamine D2 receptor Ki 724.44 nM 10.1021/jm991034o
Rattus norvegicus Dopamine D2 receptor Ki 843.0 nM 10.1021/jm00163a029
Rattus norvegicus Dopamine D2 receptor Ki 990.0 nM 10.1016/j.bmc.2016.08.021
Rattus norvegicus Dopamine D2 receptor Ki 990.0 nM 10.1021/acs.jmedchem.5b01031
Rattus norvegicus Dopamine D2 receptor Ki 1000.0 nM 10.1021/jm960318v
Rattus norvegicus Dopamine D2 receptor KL 4300.0 nM 10.1021/jm950447w
Rattus norvegicus Dopamine D3 receptor IC50 111.0 nM 10.1007/s00044-004-0006-x
Rattus norvegicus Dopamine D3 receptor IC50 124.0 nM 10.1007/s00044-004-0006-x
Rattus norvegicus Dopamine D3 receptor Ki 11.0 nM 10.1021/jm9706832
Rattus norvegicus Dopamine D3 receptor Ki 49.3 nM 10.1021/jm00062a025
Rattus norvegicus Dopamine D3 receptor Ki 101.0 nM 10.1016/j.bmc.2016.08.021
Rattus norvegicus Dopamine D3 receptor Ki 101.0 nM 10.1021/acs.jmedchem.5b01031
Rattus norvegicus Dopamine D4 receptor EC50 2.4 nM 10.1021/jm030505a
Rattus norvegicus Dopamine D4 receptor EC50 2.4 nM 10.1021/jm060662k
Rattus norvegicus Dopamine D4 receptor EC50 2.7 nM 10.1021/jm030505a
Rattus norvegicus Dopamine D4 receptor Efficacy 100.0 % 10.1021/jm030505a
Rattus norvegicus Dopamine receptor IC50 2.0 nM 10.1021/jm00346a007
Rattus norvegicus Dopamine receptor IC50 2.1 nM 10.1021/jm00346a007
Rattus norvegicus Dopamine receptor IC50 5340.0 nM 10.1021/jm00348a017
Rattus norvegicus Dopamine receptor D2 and D3 IC50 483.0 nM 10.1007/s00044-004-0006-x
Rattus norvegicus Dopamine receptor D2 and D3 IC50 582.0 nM 10.1007/s00044-004-0006-x
Rattus norvegicus Dopamine transporter DA release 17.0 % 10.1021/jm00170a029
Rattus norvegicus Dopamine transporter IC50 200.0 nM 10.1021/np50124a001
Rattus norvegicus Dopamine transporter Ki 5000.0 nM 10.1021/jm00036a020
Rattus norvegicus GABA receptor alpha-1 subunit AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Opioid receptor IC50 3045.0 nM 10.1021/jm00393a037
Rattus norvegicus Peripheral myelin protein 22 Potency 8087.5 nM None
Rattus norvegicus Rattus norvegicus Activity 2.7 10'-6mg/kg 10.1021/jm00204a009
Rattus norvegicus Rattus norvegicus Activity 2.9 ug 10.1021/jm00197a008
Rattus norvegicus Rattus norvegicus Activity 167.0 % 10.1021/jm00345a004
Rattus norvegicus Rattus norvegicus Activity 210.0 % 10.1021/jm00345a004
Rattus norvegicus Rattus norvegicus Activity nan None 10.1007/s00044-007-9074-z
Rattus norvegicus Rattus norvegicus Activity nan None 10.1021/jm00190a002
Rattus norvegicus Rattus norvegicus Activity nan None 10.1021/jm00194a003
Rattus norvegicus Rattus norvegicus Activity nan None 10.1021/jm00212a002
Rattus norvegicus Rattus norvegicus cAMP content 85.62 pmol/mg protein 10.1021/jm040889k
Rattus norvegicus Rattus norvegicus cAMP content 89.85 pmol/mg protein 10.1021/jm040889k
Rattus norvegicus Rattus norvegicus cAMP content 95.13 pmol/mg protein 10.1021/jm040889k
Rattus norvegicus Rattus norvegicus cAMP production 5.39 N 10.1021/jm00358a011
Rattus norvegicus Rattus norvegicus cGMP content 4.02 pmol/mg protein 10.1021/jm040889k
Rattus norvegicus Rattus norvegicus cGMP content 6.15 pmol/mg protein 10.1021/jm040889k
Rattus norvegicus Rattus norvegicus cGMP content 11.7 pmol/mg protein 10.1021/jm040889k
Rattus norvegicus Rattus norvegicus Change 4.0 % 10.1021/jm00183a002
Rattus norvegicus Rattus norvegicus Change 8.0 % 10.1021/jm00183a002
Rattus norvegicus Rattus norvegicus Control 40.0 % 10.1021/jm00384a038
Rattus norvegicus Rattus norvegicus Control 41.0 % 10.1021/jm00384a038
Rattus norvegicus Rattus norvegicus Control 44.0 % 10.1021/jm00384a038
Rattus norvegicus Rattus norvegicus Control 57.0 % 10.1021/jm00384a038
Rattus norvegicus Rattus norvegicus Control 70.0 % 10.1021/jm00384a038
Rattus norvegicus Rattus norvegicus Control 97.0 % 10.1021/jm00384a038
Rattus norvegicus Rattus norvegicus Control 217.0 % 10.1021/jm00358a011
Rattus norvegicus Rattus norvegicus Cumulative urine volume 4.0 None 10.1016/0960-894X(95)00413-N
Rattus norvegicus Rattus norvegicus Decrease 57.0 % 10.1021/jm00358a013
Rattus norvegicus Rattus norvegicus Decrease in blood pressure 9.4 None 10.1016/0960-894X(95)00413-N
Rattus norvegicus Rattus norvegicus EC50 3500.0 nM 10.1021/jm00161a029
Rattus norvegicus Rattus norvegicus EC50 3500.0 nM 10.1021/jm00183a001
Rattus norvegicus Rattus norvegicus EC50 3500.0 nM 10.1021/jm00346a005
Rattus norvegicus Rattus norvegicus IC50 29.0 nM 10.1021/jm00138a008
Rattus norvegicus Rattus norvegicus Increase 100.0 % 10.1021/jm00002a013
Rattus norvegicus Rattus norvegicus Inhibition 13.0 % 10.1016/j.bmc.2010.10.012
Rattus norvegicus Rattus norvegicus Inhibition 13.0 % 10.1016/j.bmc.2015.10.022
Rattus norvegicus Rattus norvegicus Inhibition 32.0 % 10.1021/jm00138a008
Rattus norvegicus Rattus norvegicus Ki 1437.0 nM 10.1021/jm00054a005
Rattus norvegicus Rattus norvegicus Ki 3000.0 nM 10.1021/jm00107a002
Rattus norvegicus Rattus norvegicus Ki 5268.0 nM 10.1021/jm00054a005
Rattus norvegicus Rattus norvegicus Max response 100.0 % 10.1021/jm00348a017
Rattus norvegicus Rattus norvegicus Production 164.0 pM (mg of protein)-1 10.1021/jm00160a016
Rattus norvegicus Rattus norvegicus Prolactin release 121.0 ng mg-1 hr-1 10.1021/jm00358a013
Rattus norvegicus Rattus norvegicus Prolactin release rate 355.0 ng mg-1 hr-1 10.1021/jm00358a013
Rattus norvegicus Rattus norvegicus Rate of rotation 8.25 None 10.1021/jm00138a008
Rattus norvegicus Rattus norvegicus Rate of rotation 19.5 None 10.1021/jm00138a008
Rattus norvegicus Rattus norvegicus Rate of rotation 39.75 None 10.1021/jm00138a008
Rattus norvegicus Rattus norvegicus RD500 0.1 mg kg-1 10.1021/jm00183a001
Rattus norvegicus Rattus norvegicus RD500 0.1 ug rat-1 10.1021/jm00161a029
Rattus norvegicus Rattus norvegicus RD500 0.1 ug rat-1 10.1021/jm00346a005
Rattus norvegicus Rattus norvegicus Stimulation 25.7 % 10.1021/jm00391a029
Rattus norvegicus Rattus norvegicus Stimulation 31.4 % 10.1021/jm00393a039
Rattus norvegicus Rattus norvegicus Stimulation 100.0 % 10.1021/jm9502100
Rattus norvegicus Rattus norvegicus Stimulation 106.4 % 10.1021/jm00393a039
Rattus norvegicus Rattus norvegicus Stimulation 116.2 % 10.1021/jm00391a029
Rattus norvegicus Rattus norvegicus Stimulation 205.4 % 10.1021/jm00393a039
Rattus norvegicus Rattus norvegicus Stimulation 209.8 % 10.1021/jm00391a029
Rattus norvegicus Rattus norvegicus Stimulation 295.3 % 10.1021/jm00391a029
Rattus norvegicus Rattus norvegicus TIME 0.008889 hr 10.1021/jm00204a009
Rattus norvegicus Rattus norvegicus Total binding 72.0 % 10.1021/jm00138a008
Rattus norvegicus Rattus norvegicus Weight change of AP-S 4.6 mg 10.1021/jm00358a013
Rattus norvegicus Serotonin 1a (5-HT1a) receptor Ki 10000.0 nM 10.1021/jm00073a016
Rattus norvegicus Serotonin 2c (5-HT2c) receptor Activity nan None 10.1021/jm301656h
Rattus norvegicus Solute carrier family 22 member 1 Activity nan None 10.1038/sj.bjp.0702065
Rattus norvegicus Solute carrier family 22 member 1 Ki 603000.0 nM 10.1023/a:1013070128668
Rattus norvegicus Solute carrier family 22 member 1 Km 19400.0 nM 10.1016/0014-5793(96)01030-7
Rattus norvegicus Solute carrier family 22 member 1 Km 51000.0 nM 10.1016/0014-5793(96)01030-7
Rattus norvegicus Solute carrier family 22 member 2 IC50 2300000.0 nM 10.1074/jbc.273.49.32776
Rattus norvegicus Solute carrier family 22 member 2 Ki 347000.0 nM 10.1023/a:1013070128668
Rattus norvegicus Solute carrier family 22 member 2 Km 650000.0 nM 10.1124/dmd.110.035402
Rattus norvegicus Solute carrier family 22 member 2 Km 2100000.0 nM 10.1074/jbc.273.47.30915
Rattus norvegicus Solute carrier family 22 member 2 Km 2300000.0 nM 10.1006/geno.1998.5639
Rattus norvegicus Solute carrier family 22 member 3 Activity nan None 10.1074/jbc.273.49.32776
Rattus norvegicus Solute carrier family 22 member 3 IC50 62000.0 nM 10.1074/jbc.273.49.32776
Rattus norvegicus Solute carrier family 22 member 3 IC50 384000.0 nM 10.1074/jbc.273.49.32776
Rattus norvegicus Solute carrier family 22 member 5 Inhibition nan % None
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 14125.4 nM None
Saccharomyces cerevisiae S288c Carbonic anhydrase Ka 13.1 uM 10.1016/j.bmcl.2009.01.105
Saccharomyces cerevisiae S288c Carbonic anhydrase Ka 13.1 uM 10.1016/j.bmcl.2010.01.054
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition -7.49 % 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 -0.21 % 10.6019/CHEMBL4495565
Staphylococcus aureus Staphylococcus aureus Activity 79.0 % 10.1016/j.bmcl.2021.128259
Staphylococcus aureus Staphylococcus aureus Activity 98.0 % 10.1016/j.bmcl.2021.128259
Sus scrofa Dopamine D1 receptor Ki nan None 10.1021/jm0604979
Toxoplasma gondii Toxoplasma gondii IC50 nan None 10.1016/j.bmc.2010.01.068
Trichomonas vaginalis Trichomonas vaginalis IC50 nan None 10.1016/j.bmc.2010.01.068
Trypanosoma brucei 6-phospho-1-fructokinase Potency 30131.3 nM None
Trypanosoma brucei Trypanosoma brucei IC50 nan None 10.1016/j.bmc.2010.01.068
Trypanosoma brucei brucei Trypanosoma brucei brucei IC50 nan None 10.1016/j.bmc.2010.01.068
Trypanosoma brucei brucei Trypanosoma brucei brucei Ratio IC50 5.0 None 10.1016/j.ejmech.2016.04.047
Trypanosoma brucei rhodesiense Trypanosoma brucei rhodesiense IC50 nan None 10.1016/j.bmc.2010.01.068
Trypanosoma cruzi Trypanosoma cruzi IC50 nan None 10.1016/j.bmc.2010.01.068
Trypanosoma cruzi (strain CL Brener) Carbonic anhydrase-like protein, putative KA 100.0 uM 10.1016/j.bmc.2018.07.011
None ADMET Activity 66.36 % 10.1021/acs.jmedchem.1c00252
None ADMET Activity 96.88 % 10.1021/acs.jmedchem.1c00252
None ADMET Binding energy 11.8 kCal mol-1 10.1021/jm00378a021
None ADMET delta logD -0.9 None 10.1021/jm0000564
None ADMET F 20.0 % 10.1021/jm0000564
None ADMET Km 7800.0 nM 10.1021/jm00160a016
None ADMET Kpot A,B 1.0 None 10.1016/s0960-894x(99)00395-9
None ADMET Peff 0.12 10'-6 cm/s 10.1016/j.ejmech.2016.07.052
None ADMET Peff 0.13 10^-6 cm/s 10.1016/j.bmc.2022.116878
None ADMET Peff 0.15 ucm/s 10.1016/j.bmc.2014.08.035
None ADMET Peff 0.2 10'-6 cm/s 10.1016/j.ejmech.2016.07.052
None ADMET Peff 0.2 10'-6 cm/s 10.1039/C6MD00053C
None ADMET Peff 0.2 10^-6 cm/s 10.1016/j.bmc.2020.115940
None ADMET Peff 0.2 10^-6 cm/s 10.1016/j.bmc.2022.116878
None ADMET Peff 0.2 10^-6 cm/s 10.1016/j.ejmech.2020.112751
None ADMET Peff 0.24 10'-6 cm/s 10.1039/C6MD00053C
None ADMET Peff 0.83 10'-6 cm/s 10.1016/j.bmcl.2014.12.034
None ADMET permeability 0.0 % 10.1021/jm800156z
None ADMET permeability 0.0 10'6cm/s 10.1021/jm800156z
None ADMET permeability 0.1 10'-6 cm/s 10.1016/j.ejmech.2015.01.058
None ADMET permeability 0.12 10'-6 cm/s 10.1016/j.bmc.2016.07.025
None ADMET permeability 0.2 10'-6 cm/s 10.1016/j.ejmech.2015.03.040
None ADMET permeability 0.32 10^-6 cm/s 10.1021/acs.jmedchem.0c01504
None ADMET permeability 0.5 10'-6 cm/s 10.1016/j.ejmech.2015.03.040
None Hepatotoxicity Hepatotoxicity nan None 10.1021/tx1000865
None Hepatotoxicity Hepatotoxicity nan None 10.1021/tx900326k
None Hepatotoxicity Hepatotoxicity nan None 10.1124/dmd.110.035113
None Hepatotoxicity HepSE_bilirubinemia 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cholecystitis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cholelithiasis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cirrhosis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_Combined Scores 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_elevated liver function tests 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatic failure 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatic necrosis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatitis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatomegaly 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_jaundice 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver disease 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver fatty 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver function tests abnormal 0.0 None 10.1371/journal.pcbi.1002310
None NON-PROTEIN TARGET Activity 86.0 % 10.1016/j.bmc.2010.10.012
None NON-PROTEIN TARGET IC50 10000.0 nM 10.1016/j.ejmech.2016.04.047
None NON-PROTEIN TARGET IC50 68900.0 nM 10.1016/j.ejmech.2016.04.047
None NON-PROTEIN TARGET IC50 nan None 10.1016/j.bmc.2010.01.068
None NON-PROTEIN TARGET Potency 118.8 nM None
None NON-PROTEIN TARGET Potency 16774.4 nM None
None No relevant target Activity 86.0 % 10.1016/j.bmc.2015.10.022
None No relevant target Activity nan None 10.1016/j.bmc.2015.10.022
None No relevant target Inhibition 43.0 % 10.1016/j.bmc.2010.10.012
None No relevant target Inhibition 43.0 % 10.1016/j.bmc.2015.10.022
None No relevant target LogD -3.37 None 10.1021/jm0000564
None No relevant target log K -2.38 None 10.1016/j.bmcl.2011.10.007
None No relevant target LogP 0.82 None 10.1016/s0960-894x(99)00395-9
None No relevant target Peff 0.11 10'-6 cm/s 10.1016/j.ejmech.2017.07.055
None No relevant target Peff 0.12 ucm/s 10.1021/acs.jmedchem.7b01356
None No relevant target Peff 0.125 10'-6 cm/s 10.1021/acs.jmedchem.9b01573
None No relevant target Peff 0.18 10'-6 cm/s 10.1016/j.bmc.2019.07.001
None No relevant target Peff 0.18 10'-6 cm/s 10.1016/j.ejmech.2018.11.049
None No relevant target Peff 0.2 10'-6 cm/s 10.1016/j.ejmech.2017.07.055
None No relevant target Peff 0.2 10'-6 cm/s 10.1016/j.ejmech.2018.11.049
None No relevant target Peff 0.2 10'-6 cm/s 10.1021/acs.jmedchem.9b01573
None No relevant target Peff 0.2 ucm/s 10.1021/acs.jmedchem.7b01356
None No relevant target Peff 0.45 10'-6 cm/s 10.1016/j.ejmech.2017.07.077
None No relevant target Peff 0.8 10'-6 cm/s 10.1016/j.bmc.2017.05.027
None No relevant target Peff 3.3 10'-6 cm/s 10.1021/acs.jmedchem.0c01129
None No relevant target permeability 0.17 10'-6 cm/s 10.1016/j.ejmech.2018.02.078
None No relevant target permeability 0.2 10'-6 cm/s 10.1039/C8MD00399H
None No relevant target permeability 0.2 ucm/s 10.1039/C8MD00196K
None No relevant target permeability 0.21 10'-6 cm/s 10.1039/C8MD00399H
None No relevant target permeability 0.22 ucm/s 10.1039/C8MD00196K
None No relevant target permeability 1.32 10'-6 cm/s 10.1016/j.bmc.2017.05.027
None No relevant target pKa 8.66 None 10.1016/j.bmcl.2023.129286
None No relevant target pKa 8.9 None 10.1021/jm0000564
None No relevant target pKa 9.84 None 10.1021/jm00348a018
None No relevant target pKa 10.0 None 10.1021/jm00204a009
None No relevant target Stability nan % 10.1016/j.bmcl.2023.129286
None Unchecked Ac50 39.81 uM None
None Unchecked AC50 39810.7 nM None
None Unchecked Activity nan None 10.1016/j.bmcl.2009.07.082
None Unchecked Activity nan None 10.1038/nchembio801
None Unchecked DA stim 100.0 % 10.1021/jm00391a007
None Unchecked EC50 2.7 nM 10.1021/jm060662k
None Unchecked EC50 309.03 nM 10.1021/jm5004039
None Unchecked EC50 310.0 nM 10.1021/jm5004039
None Unchecked EC50 4800.0 nM 10.1016/j.bmc.2010.08.005
None Unchecked ED50 3.5 uM 10.1021/jm00391a007
None Unchecked Hill coefficient 0.85 None 10.1021/jm00062a025
None Unchecked IC50 61.0 nM 10.1021/jm00367a006
None Unchecked IC50 5000.0 nM 10.1021/jm00168a034
None Unchecked IC50 100000.0 nM 10.1016/j.bmc.2010.10.012
None Unchecked IC50 100000.0 nM 10.1016/j.bmc.2015.10.022
None Unchecked Increase 13.0 % 10.1021/jm00139a013
None Unchecked Intrinsic activity 1.0 % 10.1016/j.bmc.2010.08.005
None Unchecked Ka 51.0 uM 10.1016/j.bmcl.2009.01.105
None Unchecked KA 0.011 uM 10.1016/j.bmcl.2012.12.009
None Unchecked KA 0.014 uM 10.1016/j.bmcl.2016.11.027
None Unchecked KA 0.037 uM 10.1016/j.bmcl.2012.08.088
None Unchecked KA 0.037 uM 10.1016/j.bmcl.2012.12.009
None Unchecked KA 0.81 uM 10.1016/j.bmc.2018.07.011
None Unchecked KA 9.43 uM 10.1016/j.bmcl.2016.01.078
None Unchecked KA 18.4 uM 10.1016/j.bmcl.2008.10.005
None Unchecked KA 51.0 uM 10.1016/j.bmcl.2008.10.005
None Unchecked KA 54.0 uM 10.1016/j.bmcl.2008.10.005
None Unchecked KA 89.0 uM 10.1016/j.bmc.2010.01.059
None Unchecked Kcat 3.13 10'6/s 10.1016/j.bmcl.2016.11.027
None Unchecked Kd 1.33 nM 10.1016/j.bmc.2010.08.005
None Unchecked Ki 15.0 nM 10.1016/s0960-894x(00)00633-8
None Unchecked Ki 130.0 nM 10.1016/s0960-894x(00)00633-8
None Unchecked Ki 145.55 nM 10.1016/j.ejmech.2016.06.009
None Unchecked Ki 549.54 nM 10.1016/j.ejmech.2016.06.009
None Unchecked Ki 550.0 nM 10.1016/j.ejmech.2016.06.009
None Unchecked Ki 560.0 nM 10.1016/j.ejmech.2016.06.009
None Unchecked Ki 3310.0 nM 10.1021/jm040889k
None Unchecked Ki 3900.0 nM 10.1016/j.bmc.2010.08.005
None Unchecked Ki 234900.0 nM 10.1038/nchembio801
None Unchecked Ki 251420.0 nM 10.1038/nchembio801
None Unchecked Ki nan None 10.1016/j.bmc.2010.08.005
None Unchecked Km 280000.0 nM 10.1016/j.bmc.2017.04.049
None Unchecked -Log KD -2.13 None 10.1021/jm00354a004
None Unchecked Max stimulation 100.0 None 10.1021/jm00168a034
None Unchecked pKb 3.7 None 10.1021/jm00207a015
None Unchecked Potency 6309.6 nM None
None Unchecked Potency 7943.3 nM None
None Unchecked Potency 18356.4 nM None
None Unchecked Potency 28070.2 nM None
None Unchecked Potency 35481.3 nM None
None Unchecked Potency 89125.1 nM None
None Unchecked Ratio 56.0 None 10.1021/jm00346a005
None Unchecked Ratio 113.0 None 10.1021/jm00346a005
None Unchecked Ratio 141.0 None 10.1021/jm00346a005
None Unchecked Ratio EC50 1.0 None 10.1016/j.bmc.2013.11.012
None Unchecked Ratio EC50 9.0 None 10.1021/acs.jmedchem.0c00424
None Unchecked Ratio EC50 14.0 None 10.1021/acs.jmedchem.0c00424
None Unchecked Ratio EC50 24.5 None 10.1016/j.bmc.2009.04.031
None Unchecked Ratio EC50 24.5 None 10.1021/jm070860r
None Unchecked Ratio EC50 24.5 None 10.1021/jm701524h
None Unchecked Ratio EC50 24.5 None 10.1021/jm901184n
None Unchecked Ratio EC50 26.5 None 10.1021/jm300268s
None Unchecked Ratio EC50 26.5 None 10.1021/jm401883v
None Unchecked Ratio EC50 26.6 None 10.1016/j.bmc.2013.03.059
None Unchecked Ratio EC50 32.69 None 10.1016/j.bmc.2022.117131
None Unchecked Ratio EC50 34.3 None 10.1021/acs.jmedchem.5b01031
None Unchecked Ratio EC50 42.0 None 10.1021/ml3002117
None Unchecked Ratio EC50 43.9 None 10.1016/j.bmc.2010.06.025
None Unchecked Ratio EC50 43.9 None 10.1021/jm901618d
None Unchecked Ratio EC50 51.79 None 10.1016/j.bmc.2016.08.021
None Unchecked Ratio EC50 215.0 None 10.1021/acs.jmedchem.0c00424
None Unchecked Ratio IC50 4.0 None 10.1021/np50124a001
None Unchecked Ratio IC50 4.8 None 10.1021/np50124a001
None Unchecked Ratio IC50 7.0 None 10.1016/j.ejmech.2016.04.047
None Unchecked Ratio Ki 0.08 None 10.1021/acs.jmedchem.5b01612
None Unchecked Ratio Ki 0.19 None 10.1021/acs.jmedchem.6b01875
None Unchecked Ratio Ki 0.6 None 10.1016/j.bmc.2009.04.047
None Unchecked Ratio Ki 0.87 None 10.1021/acs.jmedchem.5b01612
None Unchecked Ratio Ki 0.98 None 10.1016/j.ejmech.2016.06.009
None Unchecked Ratio Ki 5.7 None 10.1016/j.bmc.2013.05.014
None Unchecked Ratio Ki 5.7 None 10.1016/j.ejmech.2012.07.025
None Unchecked Ratio Ki 9.8 None 10.1021/acs.jmedchem.5b01031
None Unchecked Ratio Ki 10.0 None 10.1016/j.bmc.2016.08.021
None Unchecked Ratio Ki 15.0 None 10.1021/jm800895v
None Unchecked Ratio Ki 140.0 None 10.1016/j.bmc.2013.05.014
None Unchecked Ratio Ki 140.0 None 10.1016/j.ejmech.2012.07.025
None Unchecked Ratio Ki 710.0 None 10.1016/j.bmc.2016.04.028
None Unchecked Ratio Ki 800.0 None 10.1016/j.ejmech.2012.07.025
None Unchecked Ratio Ki 1100.0 None 10.1021/jm800895v
None Unchecked Selectivity ratio 56.0 None 10.1021/jm00183a001
None Unchecked Selectivity ratio 113.0 None 10.1021/jm00183a001
None Unchecked Selectivity ratio 141.0 None 10.1021/jm00183a001

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT001906 C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O.NCCc1ccc(O)c(O)c1>>C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1C[C@@H]1NCCc2cc(O)c(O)cc21 4.3.3.3-RXN
AKRT001907 C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O.NCCc1ccc(O)c(O)c1>>C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1C[C@H]1NCCc2cc(O)c(O)cc21 R05749
AKRT001961 C=O.NCCc1ccc(O)c(O)c1>>Oc1cc2c(cc1O)CNCC2 retrobiocat_965
AKRT002103 CC(=O)C(=O)O.NCCc1ccc(O)c(O)c1>>C[C@]1(C(=O)O)NCCc2cc(O)c(O)cc21 MNXR103574
AKRT004410 CC(=O)[32S].NCCc1ccc(O)c(O)c1>>CC(=O)NCCc1ccc(O)c(O)c1 None
AKRT004651 CC(=O)[CoA].NCCc1ccc(O)c(O)c1>>CC(=O)NCCc1ccc(O)c(O)c1 51388
AKRT004822 CC(C)(C)CC=O.NCCc1ccc(O)c(O)c1>>CC(C)(C)CC1NCCc2cc(O)c(O)cc21 retrobiocat_963
AKRT006435 CC(C=O)c1cccc2ccccc12.NCCc1ccc(O)c(O)c1>>CC(c1cccc2ccccc12)C1NCCc2cc(O)c(O)cc21 retrobiocat_967
AKRT006843 CC1(C)COC(CC=O)OC1.NCCc1ccc(O)c(O)c1>>CC1(C)COC(CC2NCCc3cc(O)c(O)cc32)OC1 retrobiocat_962
AKRT007058 CC=O.NCCc1ccc(O)c(O)c1>>CC1NCCc2cc(O)c(O)cc21 retrobiocat_966
AKRT007327 CCC1CN2CCc3cc(OC)c(OC)cc3[C@@H]2CC1CC=O.NCCc1ccc(O)c(O)c1>>CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(O)c(O)cc21 RXN-13794
AKRT007421 CCCC(=O)[32S].NCCc1ccc(O)c(O)c1>>CCCC(=O)NCCc1ccc(O)c(O)c1 None
AKRT007438 CCCC(=O)[CoA].NCCc1ccc(O)c(O)c1>>CCCC(=O)NCCc1ccc(O)c(O)c1 enzymemap_32407
AKRT008391 CCCCCCCC/C=C\CCCCCCCC(=O)[CoA].NCCc1ccc(O)c(O)c1>>CCCCCCCC/C=C\CCCCCCCC(=O)NCCc1ccc(O)c(O)c1 51380
AKRT009070 CCCCCCCCCCCCCCCC(=O)[CoA].NCCc1ccc(O)c(O)c1>>CCCCCCCCCCCCCCCC(=O)NCCc1ccc(O)c(O)c1 51376
AKRT010231 CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1CC=O.NCCc1ccc(O)c(O)c1>>CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(O)c(O)cc21 R11684
AKRT010814 CN[C@@H](CCC(N)=O)C(C)=O.NCCc1ccc(O)c(O)c1>>CN[C@@H](CCC(=O)NCCc1ccc(O)c(O)c1)C(C)=O 66556
AKRT011509 COc1cc(/C=C/C(=O)[CoA])ccc1O.NCCc1ccc(O)c(O)c1>>COc1cc(/C=C/C(=O)NCCc2ccc(O)c(O)c2)ccc1O enzymemap_28451
AKRT011569 COc1cc(CCN)ccc1O>>NCCc1ccc(O)c(O)c1 enzymemap_27531
AKRT011779 COc1ccc(CC=O)cc1.NCCc1ccc(O)c(O)c1>>COc1ccc(CC2NCCc3cc(O)c(O)cc32)cc1 retrobiocat_956
AKRT011781 COc1ccc(CC=O)cc1OC.NCCc1ccc(O)c(O)c1>>COc1ccc(CC2NCCc3cc(O)c(O)cc32)cc1OC retrobiocat_957
AKRT013022 C[C@@H]1NCCc2cc(O)c(O)cc21>>NCCc1ccc(O)c(O)c1 MNXR103573
AKRT014659 C[SAH].NCCc1ccc(O)c(O)c1>>COc1cc(CCN)ccc1O RXN6666-7
AKRT015020 Cc1ccc(CC=O)cc1.NCCc1ccc(O)c(O)c1>>Cc1ccc(CC2NCCc3cc(O)c(O)cc32)cc1 retrobiocat_955
AKRT015046 Cc1cccc(CC=O)c1.NCCc1ccc(O)c(O)c1>>Cc1cccc(CC2NCCc3cc(O)c(O)cc32)c1 retrobiocat_954
AKRT015059 Cc1ccccc1CC=O.NCCc1ccc(O)c(O)c1>>Cc1ccccc1CC1NCCc2cc(O)c(O)cc21 retrobiocat_953
AKRT018386 NCCc1ccc(O)c(O)c1.O=C(O)[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O>>NCCc1ccc(O)c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c1 enzymemap_34926
AKRT018387 NCCc1ccc(O)c(O)c1.O=C(O)[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O>>NCCc1ccc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1 enzymemap_34813
AKRT018388 NCCc1ccc(O)c(O)c1.O=C/C=C1/C=C(C(=O)O)N[C@H](C(=O)O)C1>>O=C(O)C1=C/C(=C/C=N\CCc2ccc(O)c(O)c2)CC(C(=O)O)N1 R08835
AKRT018389 NCCc1ccc(O)c(O)c1.O=C/C=C1/C=C(C(=O)O)N[C@H](C(=O)O)C1>>O=C(O)C1=C/C(=C/C=N\CCc2ccc(O)c(O)c2)C[C@@H](C(=O)O)N1 RXN-8486
AKRT018390 NCCc1ccc(O)c(O)c1.O=C1O[C@H]([C@@H](O)CO)C(O)=C1O>>NC[C@H](O)c1ccc(O)c(O)c1.O=C1O[C@H]([C@@H](O)CO)C(=O)C1=O None
AKRT018391 NCCc1ccc(O)c(O)c1.O=CCc1ccc(O)c(O)c1>>Oc1ccc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc1O R04084
AKRT018392 NCCc1ccc(O)c(O)c1.O=CCc1ccc(O)cc1>>Oc1ccc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc1 S-NORLAUDANOSOLINE-SYNTHASE-RXN
AKRT018393 NCCc1ccc(O)c(O)c1>>NCCC1=CC(=O)C(=O)C=C1 RXN-8623
AKRT018394 NCCc1ccc(O)c(O)c1>>NCCc1ccc(O)c(OS(=O)(=O)O)c1 RXN6666-9
AKRT018395 NCCc1ccc(O)c(O)c1>>NCCc1ccc(OP(=O)(O)O)c(O)c1 enzymemap_46801
AKRT018396 NCCc1ccc(O)c(O)c1>>NCCc1ccc(OS(=O)(=O)O)c(O)c1 67884
AKRT018397 NCCc1ccc(O)c(O)c1>>NCCc1cccc(O)c1 RXN-21082
AKRT018398 NCCc1ccc(O)c(O)c1>>NC[C@H](O)c1ccc(O)c(O)c1 DOPAMINE-BETA-MONOOXYGENASE-RXN
AKRT018399 NCCc1ccc(O)c(O)c1>>O=CCc1ccc(O)c(O)c1 RXN6666-4
AKRT018400 NCCc1ccc(O)c(O)c1>>O=S(=O)(O)NCCc1ccc(O)c(O)c1 enzymemap_50510
AKRT018401 NCCc1ccc(O)c(OS(=O)(=O)O)c1>>NCCc1ccc(O)c(O)c1 enzymemap_49888
AKRT018403 NCCc1ccc(O)c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c1>>NCCc1ccc(O)c(O)c1 MNXR163197
AKRT018415 NCCc1ccc(O)cc1>>NCCc1ccc(O)c(O)c1 R02383
AKRT018423 NCCc1ccc(OS(=O)(=O)O)c(O)c1>>NCCc1ccc(O)c(O)c1 enzymemap_57883
AKRT018426 NCCc1ccc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1>>NCCc1ccc(O)c(O)c1 MNXR163198
AKRT019889 N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O>>NCCc1ccc(O)c(O)c1 RXN66-221
AKRT019890 N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O>>NCCc1ccc(O)c(O)c1.O=C=O None
AKRT020348 N[C@H](Cc1ccc(O)c(O)c1)C(=O)O>>NCCc1ccc(O)c(O)c1 enzymemap_81641
AKRT023681 O=CCN1CCNCC1.NCCc1ccc(O)c(O)c1>>Oc1cc2c(cc1O)[C@H](CN1CCNCC1)NCC2 retrobiocat_755
AKRT023682 O=CCN1CCOCC1.NCCc1ccc(O)c(O)c1>>Oc1cc2c(cc1O)[C@H](CN1CCOCC1)NCC2 retrobiocat_758
AKRT023693 O=CCc1c[nH]cn1.NCCc1ccc(O)c(O)c1>>Oc1cc2c(cc1O)[C@H](Cc1c[nH]cn1)NCC2 retrobiocat_752
AKRT023696 O=CCc1ccc(Cl)cc1.NCCc1ccc(O)c(O)c1>>Oc1cc2c(cc1O)[C@H](Cc1ccc(Cl)cc1)NCC2 retrobiocat_749
AKRT023697 O=CCc1ccc(F)cc1.NCCc1ccc(O)c(O)c1>>Oc1cc2c(cc1O)C(Cc1ccc(F)cc1)NCC2 retrobiocat_952
AKRT023699 O=CCc1ccc(O)cc1.NCCc1ccc(O)c(O)c1>>Oc1ccc(CC2NCCc3cc(O)c(O)cc32)cc1 retrobiocat_949
AKRT023702 O=CCc1ccc(OC(F)(F)F)cc1.NCCc1ccc(O)c(O)c1>>Oc1cc2c(cc1O)C(Cc1ccc(OC(F)(F)F)cc1)NCC2 retrobiocat_958
AKRT023703 O=CCc1cccc(F)c1.NCCc1ccc(O)c(O)c1>>Oc1cc2c(cc1O)C(Cc1cccc(F)c1)NCC2 retrobiocat_951
AKRT023704 O=CCc1cccc2ccccc12.NCCc1ccc(O)c(O)c1>>Oc1cc2c(cc1O)C(Cc1cccc3ccccc13)NCC2 retrobiocat_961
AKRT023705 O=CCc1ccccc1.NCCc1ccc(O)c(O)c1>>Oc1cc2c(cc1O)C(Cc1ccccc1)NCC2 retrobiocat_959
AKRT023708 O=CCc1ccccc1F.NCCc1ccc(O)c(O)c1>>Oc1cc2c(cc1O)C(Cc1ccccc1F)NCC2 retrobiocat_950
AKRT023709 O=CCc1ccsc1.NCCc1ccc(O)c(O)c1>>Oc1cc2c(cc1O)C(Cc1ccsc1)NCC2 retrobiocat_960
AKRT023777 O=Cc1ccccc1.NCCc1ccc(O)c(O)c1>>Oc1cc2c(cc1O)C(c1ccccc1)NCC2 retrobiocat_964
AKRT024872 Oc1cc2c(cc1O)CNCC2>>NCCc1ccc(O)c(O)c1 MNXR103617
AKRT024878 Oc1ccc(CC2NCCc3cc(O)c(O)cc32)cc1O>>NCCc1ccc(O)c(O)c1 MNXR103580