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63 similar compounds to monomer 18161

Compile data set for download or QSAR
Wt: 290.4
BDBM17639
Purchase
Wt: 402.6
BDBM50451152
Wt: 372.5
BDBM50451143
Wt: 332.5
BDBM50451144
Wt: 374.5
BDBM50451146
Wt: 386.6
BDBM50451147
Wt: 346.5
BDBM50451150
Wt: 400.6
BDBM50451151
Wt: 304.4
BDBM87506
Wt: 304.4
BDBM91715
Wt: 318.4
BDBM50045050
Purchase
Wt: 318.4
BDBM50055912
Purchase
Wt: 374.5
BDBM50093901
Wt: 400.6
BDBM50093903
Wt: 346.5
BDBM50093906
Displayed 1 to 15 (of 63 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 26 hits for monomerid = 17639,50451152,50451143,50451144,50451146,50451147,50451150,50451151,87506,91715,50045050,50055912,50093901,50093903,50093906   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM50045050
PNG
(1-(3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopen...)
Show SMILES CC(=O)C1CCC2C3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16?,17?,18?,19?,20-,21+/m0/s1
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17.5n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 337-45 (2000)


BindingDB Entry DOI: 10.7270/Q2251GQJ
More data for this
Ligand-Target Pair
GABA A receptor alpha-3/beta-2/gamma-2


(RAT)
BDBM50045050
PNG
(1-(3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopen...)
Show SMILES CC(=O)C1CCC2C3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16?,17?,18?,19?,20-,21+/m0/s1
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20n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 337-45 (2000)


BindingDB Entry DOI: 10.7270/Q2251GQJ
More data for this
Ligand-Target Pair
GABA A receptor alpha-5/beta-3/gamma-2


(RAT)
BDBM50045050
PNG
(1-(3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopen...)
Show SMILES CC(=O)C1CCC2C3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16?,17?,18?,19?,20-,21+/m0/s1
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21n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 337-45 (2000)


BindingDB Entry DOI: 10.7270/Q2251GQJ
More data for this
Ligand-Target Pair
GABA(A) receptor subunit alpha-2


(Rattus norvegicus (Rat))
BDBM50045050
PNG
(1-(3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopen...)
Show SMILES CC(=O)C1CCC2C3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16?,17?,18?,19?,20-,21+/m0/s1
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41n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 337-45 (2000)


BindingDB Entry DOI: 10.7270/Q2251GQJ
More data for this
Ligand-Target Pair
GABA A receptor alpha-6/beta-2/gamma-2


(RAT)
BDBM50045050
PNG
(1-(3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopen...)
Show SMILES CC(=O)C1CCC2C3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16?,17?,18?,19?,20-,21+/m0/s1
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51n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 337-45 (2000)


BindingDB Entry DOI: 10.7270/Q2251GQJ
More data for this
Ligand-Target Pair
GABA A receptor alpha-6/beta-2/gamma-2


(RAT)
BDBM50045050
PNG
(1-(3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopen...)
Show SMILES CC(=O)C1CCC2C3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16?,17?,18?,19?,20-,21+/m0/s1
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1.10E+3n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 337-45 (2000)


BindingDB Entry DOI: 10.7270/Q2251GQJ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM50045050
PNG
(1-(3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopen...)
Show SMILES CC(=O)C1CCC2C3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16?,17?,18?,19?,20-,21+/m0/s1
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1.90E+3n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 337-45 (2000)


BindingDB Entry DOI: 10.7270/Q2251GQJ
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 1A1


(Rattus norvegicus)
BDBM17639
PNG
((1S,2S,5R,7S,10R,11S,15S)-5-hydroxy-2,15-dimethylt...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CCC2=O
Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,18-,19-/m0/s1
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1.06E+4n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of E217betaG uptake in Oatp1-expressing HeLa cells


Am J Physiol 270: 326-31 (1996)


Article DOI: 10.1152/ajprenal.1996.270.2.F326
BindingDB Entry DOI: 10.7270/Q20K29V5
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50451146
PNG
(CHEMBL3137856)
Show SMILES CCCCCC[C@@]1(O)CC[C@@]2(C)C(CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]23)C1
Show InChI InChI=1S/C25H42O2/c1-4-5-6-7-13-25(27)16-15-23(2)18(17-25)8-9-19-20-10-11-22(26)24(20,3)14-12-21(19)23/h18-21,27H,4-17H2,1-3H3/t18?,19-,20-,21-,23-,24-,25+/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Laval University Medical Center (CHUL) and Laval University

Curated by ChEMBL


Assay Description
Inhibitory concentration against type-3 17-beta-HSD expressed in HEK293 cells


Bioorg Med Chem Lett 10: 2533-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00517-5
BindingDB Entry DOI: 10.7270/Q2GH9JGF
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50451151
PNG
(CHEMBL3138113)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4C[C@@](O)(CCC5CCCCC5)CC[C@]34C)[C@@H]1CCC2=O
Show InChI InChI=1S/C27H44O2/c1-25-16-17-27(29,15-12-19-6-4-3-5-7-19)18-20(25)8-9-21-22-10-11-24(28)26(22,2)14-13-23(21)25/h19-23,29H,3-18H2,1-2H3/t20?,21-,22-,23-,25-,26-,27+/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Laval University Medical Center (CHUL) and Laval University

Curated by ChEMBL


Assay Description
Inhibitory concentration against type-3 17-beta-HSD expressed in HEK293 cells


Bioorg Med Chem Lett 10: 2533-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00517-5
BindingDB Entry DOI: 10.7270/Q2GH9JGF
More data for this
Ligand-Target Pair
Testosterone 17-beta-dehydrogenase 3


(Rattus norvegicus)
BDBM17639
PNG
((1S,2S,5R,7S,10R,11S,15S)-5-hydroxy-2,15-dimethylt...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CCC2=O
Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,18-,19-/m0/s1
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n/an/a 90n/an/an/an/an/an/a



CHU de Qu£bec-Research Center (CHUL)

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3 in rat testes microsomes using [14C]-4-androstene-3,17-dione as substrate after 2 hrs


Bioorg Med Chem 23: 5433-51 (2015)


Article DOI: 10.1016/j.bmc.2015.07.049
BindingDB Entry DOI: 10.7270/Q20C4XHT
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50093901
PNG
((3R,10S,13S)-3-Hexyl-3-hydroxy-10,13-dimethyl-hexa...)
Show SMILES CCCCCC[C@@]1(O)CC[C@@]2(C)C(CCC3C4CCC(=O)[C@@]4(C)CCC23)C1
Show InChI InChI=1S/C25H42O2/c1-4-5-6-7-13-25(27)16-15-23(2)18(17-25)8-9-19-20-10-11-22(26)24(20,3)14-12-21(19)23/h18-21,27H,4-17H2,1-3H3/t18?,19?,20?,21?,23-,24-,25+/m0/s1
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n/an/a 100n/an/an/an/an/an/a



CHUQ-Pavillon CHUL and Universit£ Laval

Curated by ChEMBL


Assay Description
Inhibition of type-3 17 beta-hydroxysteroid dehydrogenase expressed in HEK293 cells at 37 degree C pH7.4


J Med Chem 48: 5257-68 (2005)


Article DOI: 10.1021/jm058179h
BindingDB Entry DOI: 10.7270/Q21C1XNS
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50093906
PNG
((3R,10S,13S)-3-sec-Butyl-3-hydroxy-10,13-dimethyl-...)
Show SMILES CCC(C)[C@@]1(O)CC[C@@]2(C)C(CCC3C4CCC(=O)[C@@]4(C)CCC23)C1
Show InChI InChI=1S/C23H38O2/c1-5-15(2)23(25)13-12-21(3)16(14-23)6-7-17-18-8-9-20(24)22(18,4)11-10-19(17)21/h15-19,25H,5-14H2,1-4H3/t15?,16?,17?,18?,19?,21-,22-,23+/m0/s1
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n/an/a 73n/an/an/an/an/an/a



CHUQ-Pavillon CHUL and Universit£ Laval

Curated by ChEMBL


Assay Description
Inhibition of type-3 17 beta-hydroxysteroid dehydrogenase expressed in HEK293 cells at 37 degree C pH7.4


J Med Chem 48: 5257-68 (2005)


Article DOI: 10.1021/jm058179h
BindingDB Entry DOI: 10.7270/Q21C1XNS
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50093903
PNG
((3R,10S,13S)-3-(2-Cyclohexyl-ethyl)-3-hydroxy-10,1...)
Show SMILES C[C@]12CCC3C(CCC4C[C@@](O)(CCC5CCCCC5)CC[C@]34C)C1CCC2=O
Show InChI InChI=1S/C27H44O2/c1-25-16-17-27(29,15-12-19-6-4-3-5-7-19)18-20(25)8-9-21-22-10-11-24(28)26(22,2)14-13-23(21)25/h19-23,29H,3-18H2,1-2H3/t20?,21?,22?,23?,25-,26-,27+/m0/s1
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n/an/a 60n/an/an/an/an/an/a



CHUQ-Pavillon CHUL and Universit£ Laval

Curated by ChEMBL


Assay Description
Inhibition of type-3 17 beta-hydroxysteroid dehydrogenase expressed in HEK293 cells at 37 degree C pH7.4


J Med Chem 48: 5257-68 (2005)


Article DOI: 10.1021/jm058179h
BindingDB Entry DOI: 10.7270/Q21C1XNS
More data for this
Ligand-Target Pair
Testis-specific androgen-binding protein


(Homo sapiens)
BDBM17639
PNG
((1S,2S,5R,7S,10R,11S,15S)-5-hydroxy-2,15-dimethylt...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CCC2=O
Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,18-,19-/m0/s1
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n/an/an/a 71n/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin


J Med Chem 51: 2047-56 (2008)


Article DOI: 10.1021/jm7011485
BindingDB Entry DOI: 10.7270/Q2RX9DC2
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM17639
PNG
((1S,2S,5R,7S,10R,11S,15S)-5-hydroxy-2,15-dimethylt...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CCC2=O
Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,18-,19-/m0/s1
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n/an/an/an/a 6.22E+3n/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 expressed in CHO cells by luciferase assay


J Med Chem 51: 1831-41 (2008)


Article DOI: 10.1021/jm7015864
BindingDB Entry DOI: 10.7270/Q2222VNJ
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM17639
PNG
((1S,2S,5R,7S,10R,11S,15S)-5-hydroxy-2,15-dimethylt...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CCC2=O
Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,18-,19-/m0/s1
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n/an/a 4.07E+4n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)


J Med Chem 48: 5666-74 (2005)


Article DOI: 10.1021/jm050403f
BindingDB Entry DOI: 10.7270/Q2TM7CBZ
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50451147
PNG
(CHEMBL3137857)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4C[C@@](O)(CC5CCCCC5)CC[C@]34C)[C@@H]1CCC2=O
Show InChI InChI=1S/C26H42O2/c1-24-14-15-26(28,16-18-6-4-3-5-7-18)17-19(24)8-9-20-21-10-11-23(27)25(21,2)13-12-22(20)24/h18-22,28H,3-17H2,1-2H3/t19?,20-,21-,22-,24-,25-,26-/m0/s1
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n/an/a 87n/an/an/an/an/an/a



Laval University Medical Center (CHUL) and Laval University

Curated by ChEMBL


Assay Description
Inhibitory concentration against type-3 17-beta-HSD expressed in HEK293 cells


Bioorg Med Chem Lett 10: 2533-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00517-5
BindingDB Entry DOI: 10.7270/Q2GH9JGF
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50451144
PNG
(CHEMBL3137851)
Show SMILES CCC[C@@]1(O)CC[C@@]2(C)C(CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]23)C1
Show InChI InChI=1S/C22H36O2/c1-4-10-22(24)13-12-20(2)15(14-22)5-6-16-17-7-8-19(23)21(17,3)11-9-18(16)20/h15-18,24H,4-14H2,1-3H3/t15?,16-,17-,18-,20-,21-,22+/m0/s1
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n/an/a 67n/an/an/an/an/an/a



Laval University Medical Center (CHUL) and Laval University

Curated by ChEMBL


Assay Description
Inhibitory concentration against type-3 17-beta-HSD expressed in HEK293 cells


Bioorg Med Chem Lett 10: 2533-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00517-5
BindingDB Entry DOI: 10.7270/Q2GH9JGF
More data for this
Ligand-Target Pair
Glucose 6-phosphate dehydrogenase (G6PD)


(Homo sapiens (Human))
BDBM17639
PNG
((1S,2S,5R,7S,10R,11S,15S)-5-hydroxy-2,15-dimethylt...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CCC2=O
Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,18-,19-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His tagged G6PD expressed in Escherichia coli JM109 (DE3) cells assessed as production of NADPH after 30 m...


J Med Chem 55: 4431-45 (2012)


Article DOI: 10.1021/jm300317k
BindingDB Entry DOI: 10.7270/Q298883V
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50451143
PNG
(CHEMBL3138210)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4C[C@](O)(CC[C@]34C)C3CCCCC3)[C@@H]1CCC2=O
Show InChI InChI=1S/C25H40O2/c1-23-14-15-25(27,17-6-4-3-5-7-17)16-18(23)8-9-19-20-10-11-22(26)24(20,2)13-12-21(19)23/h17-21,27H,3-16H2,1-2H3/t18?,19-,20-,21-,23-,24-,25+/m0/s1
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n/an/a 97n/an/an/an/an/an/a



Laval University Medical Center (CHUL) and Laval University

Curated by ChEMBL


Assay Description
Inhibitory concentration against type-3 17-beta-HSD expressed in HEK293 cells


Bioorg Med Chem Lett 10: 2533-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00517-5
BindingDB Entry DOI: 10.7270/Q2GH9JGF
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50451150
PNG
(CHEMBL3138219)
Show SMILES CCC(C)[C@@]1(O)CC[C@@]2(C)C(CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]23)C1
Show InChI InChI=1S/C23H38O2/c1-5-15(2)23(25)13-12-21(3)16(14-23)6-7-17-18-8-9-20(24)22(18,4)11-10-19(17)21/h15-19,25H,5-14H2,1-4H3/t15?,16?,17-,18-,19-,21-,22-,23+/m0/s1
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n/an/a 73n/an/an/an/an/an/a



Laval University Medical Center (CHUL) and Laval University

Curated by ChEMBL


Assay Description
Inhibitory concentration against type-3 17-beta-HSD expressed in HEK293 cells


Bioorg Med Chem Lett 10: 2533-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00517-5
BindingDB Entry DOI: 10.7270/Q2GH9JGF
More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM50055912
PNG
((3alpha,5alpha)-3-hydroxypregnan-20-one) | 1-((3R,...)
Show SMILES CC(=O)[C@H]1CCC2C3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16?,17+,18?,19?,20-,21+/m0/s1
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n/an/a 12.6n/an/an/an/an/an/a



Research Triangle Institute; The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
[35S]TBPS binding assay.


US Patent US8575375 (2013)


BindingDB Entry DOI: 10.7270/Q2ST7NGT
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM91715
PNG
(17beta-Hydroxy-5alpha-androstan-3,6-dione, 4)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC(=O)C4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C19H28O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h12-15,17,22H,3-10H2,1-2H3/t12-,13-,14-,15?,17-,18+,19-/m0/s1
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n/an/a 9.59E+4n/an/an/an/an/an/a



University of Jordan



Assay Description
AChE and BChE inhibiting activities were measured in vitro by a modified spectrophotometric method previously developed by Ellman et. al.


J Enzyme Inhib Med Chem 24: 553-8 (2009)


Article DOI: 10.1080/14756360802236393
BindingDB Entry DOI: 10.7270/Q20K274X
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM87506
PNG
((3S,5R,10S,13S)-10,13-dimethyl-3-oxidanyl-2,3,4,5,...)
Show SMILES C[C@]12CCC3C(C1CCC2=O)C(=O)C[C@H]1C[C@@H](O)CC[C@]31C
Show InChI InChI=1S/C19H28O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h11-14,17,20H,3-10H2,1-2H3/t11-,12+,13?,14?,17?,18+,19+/m1/s1
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n/an/a 3.38E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2RB736G
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50451152
PNG
(CHEMBL3138209)
Show SMILES CCCCCCCC[C@@]1(O)CC[C@@]2(C)C(CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]23)C1
Show InChI InChI=1S/C27H46O2/c1-4-5-6-7-8-9-15-27(29)18-17-25(2)20(19-27)10-11-21-22-12-13-24(28)26(22,3)16-14-23(21)25/h20-23,29H,4-19H2,1-3H3/t20?,21-,22-,23-,25-,26-,27+/m0/s1
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n/an/a 147n/an/an/an/an/an/a



Laval University Medical Center (CHUL) and Laval University

Curated by ChEMBL


Assay Description
Inhibitory concentration against type-3 17-beta-HSD expressed in HEK293 cells


Bioorg Med Chem Lett 10: 2533-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00517-5
BindingDB Entry DOI: 10.7270/Q2GH9JGF
More data for this
Ligand-Target Pair