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Compile Data Set for Download or QSAR

Found 121 hits with Last Name = 'spires' and Initial = 'te'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50179960
PNG
(1-[8-(2-acetyl-phenyl)-2-chloro-11,12-dihydro-6H-d...)
Show SMILES CC(=O)N1Cc2cc(ccc2CCc2cc(Cl)ccc12)-c1ccccc1C(C)=O
Show InChI InChI=1S/C25H22ClNO2/c1-16(28)23-5-3-4-6-24(23)19-9-7-18-8-10-20-14-22(26)11-12-25(20)27(17(2)29)15-21(18)13-19/h3-7,9,11-14H,8,10,15H2,1-2H3
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n/an/a 0.0200n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3


Bioorg Med Chem Lett 16: 1532-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.039
BindingDB Entry DOI: 10.7270/Q2CV4HBV
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50179969
PNG
(2-(5-acetyl-2-chloro-5,6,11,12-tetrahydro-dibenzo[...)
Show SMILES COC(=O)c1ccccc1-c1ccc2CCc3cc(Cl)ccc3N(Cc2c1)C(C)=O
Show InChI InChI=1S/C25H22ClNO3/c1-16(28)27-15-20-13-18(22-5-3-4-6-23(22)25(29)30-2)9-7-17(20)8-10-19-14-21(26)11-12-24(19)27/h3-7,9,11-14H,8,10,15H2,1-2H3
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n/an/a 0.0200n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3


Bioorg Med Chem Lett 16: 1532-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.039
BindingDB Entry DOI: 10.7270/Q2CV4HBV
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50179935
PNG
(1-(8-Phenyl-11,12-dihydro-6H-dibenzo[b,f]azocin-5-...)
Show SMILES CC(=O)N1Cc2cc(ccc2CCc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C23H21NO/c1-17(25)24-16-22-15-21(18-7-3-2-4-8-18)14-12-19(22)11-13-20-9-5-6-10-23(20)24/h2-10,12,14-15H,11,13,16H2,1H3
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n/an/a 0.0200n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3


Bioorg Med Chem Lett 16: 1532-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.039
BindingDB Entry DOI: 10.7270/Q2CV4HBV
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50179960
PNG
(1-[8-(2-acetyl-phenyl)-2-chloro-11,12-dihydro-6H-d...)
Show SMILES CC(=O)N1Cc2cc(ccc2CCc2cc(Cl)ccc12)-c1ccccc1C(C)=O
Show InChI InChI=1S/C25H22ClNO2/c1-16(28)23-5-3-4-6-24(23)19-9-7-18-8-10-20-14-22(26)11-12-25(20)27(17(2)29)15-21(18)13-19/h3-7,9,11-14H,8,10,15H2,1-2H3
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n/an/a 0.5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3 by SEAP assay


Bioorg Med Chem Lett 16: 1532-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.039
BindingDB Entry DOI: 10.7270/Q2CV4HBV
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50179969
PNG
(2-(5-acetyl-2-chloro-5,6,11,12-tetrahydro-dibenzo[...)
Show SMILES COC(=O)c1ccccc1-c1ccc2CCc3cc(Cl)ccc3N(Cc2c1)C(C)=O
Show InChI InChI=1S/C25H22ClNO3/c1-16(28)27-15-20-13-18(22-5-3-4-6-23(22)25(29)30-2)9-7-17(20)8-10-19-14-21(26)11-12-24(19)27/h3-7,9,11-14H,8,10,15H2,1-2H3
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3 by SEAP assay


Bioorg Med Chem Lett 16: 1532-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.039
BindingDB Entry DOI: 10.7270/Q2CV4HBV
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50179940
PNG
(2-(5-acetyl-2-bromo-5,6,11,12-tetrahydro-dibenzo[b...)
Show SMILES COC(=O)c1ccccc1-c1ccc2CCc3cc(Br)ccc3N(Cc2c1)C(C)=O
Show InChI InChI=1S/C25H22BrNO3/c1-16(28)27-15-20-13-18(22-5-3-4-6-23(22)25(29)30-2)9-7-17(20)8-10-19-14-21(26)11-12-24(19)27/h3-7,9,11-14H,8,10,15H2,1-2H3
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n/an/a 0.700n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3


Bioorg Med Chem Lett 16: 1532-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.039
BindingDB Entry DOI: 10.7270/Q2CV4HBV
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50179964
PNG
(1-[2-chloro-8-(2-hydroxymethyl-phenyl)-11,12-dihyd...)
Show SMILES CC(=O)N1Cc2cc(ccc2CCc2cc(Cl)ccc12)-c1ccccc1CO
Show InChI InChI=1S/C24H22ClNO2/c1-16(28)26-14-21-12-18(23-5-3-2-4-20(23)15-27)8-6-17(21)7-9-19-13-22(25)10-11-24(19)26/h2-6,8,10-13,27H,7,9,14-15H2,1H3
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n/an/a 0.900n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3


Bioorg Med Chem Lett 16: 1532-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.039
BindingDB Entry DOI: 10.7270/Q2CV4HBV
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50179940
PNG
(2-(5-acetyl-2-bromo-5,6,11,12-tetrahydro-dibenzo[b...)
Show SMILES COC(=O)c1ccccc1-c1ccc2CCc3cc(Br)ccc3N(Cc2c1)C(C)=O
Show InChI InChI=1S/C25H22BrNO3/c1-16(28)27-15-20-13-18(22-5-3-4-6-23(22)25(29)30-2)9-7-17(20)8-10-19-14-21(26)11-12-24(19)27/h3-7,9,11-14H,8,10,15H2,1-2H3
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3 by SEAP assay


Bioorg Med Chem Lett 16: 1532-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.039
BindingDB Entry DOI: 10.7270/Q2CV4HBV
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50179967
PNG
(3-(5-acetyl-2-chloro-5,6,11,12-tetrahydro-dibenzo[...)
Show SMILES COC(=O)c1cccc(c1)-c1ccc2CCc3cc(Cl)ccc3N(Cc2c1)C(C)=O
Show InChI InChI=1S/C25H22ClNO3/c1-16(28)27-15-22-13-19(18-4-3-5-21(12-18)25(29)30-2)8-6-17(22)7-9-20-14-23(26)10-11-24(20)27/h3-6,8,10-14H,7,9,15H2,1-2H3
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n/an/a 1.40n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3


Bioorg Med Chem Lett 16: 1532-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.039
BindingDB Entry DOI: 10.7270/Q2CV4HBV
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50156232
PNG
(CHEMBL3782020)
Show SMILES Cc1ccncc1-c1cccc2n(ncc12)-c1ccccn1
Show InChI InChI=1S/C18H14N4/c1-13-8-10-19-11-15(13)14-5-4-6-17-16(14)12-21-22(17)18-7-2-3-9-20-18/h2-12H,1H3
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CYP17A1 expressed in HEK293 cell microsomes using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity...


ACS Med Chem Lett 7: 40-5 (2016)


BindingDB Entry DOI: 10.7270/Q2TH8PK5
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Macaca fascicularis)
BDBM50391846
PNG
(CHEMBL2147041 | US9133160, 31)
Show SMILES Cc1ccncc1-c1cccc2n(CC(F)(F)F)cnc12
Show InChI InChI=1S/C15H12F3N3/c1-10-5-6-19-7-12(10)11-3-2-4-13-14(11)20-9-21(13)8-15(16,17)18/h2-7,9H,8H2,1H3
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP17A1 in cynomolgus monkey adrenal microsomes using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity a...


ACS Med Chem Lett 7: 40-5 (2016)


BindingDB Entry DOI: 10.7270/Q2TH8PK5
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50179932
PNG
(1-[2-chloro-8-(2-methoxy-phenyl)-11,12-dihydro-6H-...)
Show SMILES COc1ccccc1-c1ccc2CCc3cc(Cl)ccc3N(Cc2c1)C(C)=O
Show InChI InChI=1S/C24H22ClNO2/c1-16(27)26-15-20-13-18(22-5-3-4-6-24(22)28-2)9-7-17(20)8-10-19-14-21(25)11-12-23(19)26/h3-7,9,11-14H,8,10,15H2,1-2H3
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3


Bioorg Med Chem Lett 16: 1532-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.039
BindingDB Entry DOI: 10.7270/Q2CV4HBV
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50179936
PNG
(CHEMBL382563 | N-[2-(5-acetyl-2-chloro-5,6,11,12-t...)
Show SMILES CC(=O)N1Cc2cc(ccc2CCc2cc(Cl)ccc12)-c1ccccc1NS(C)(=O)=O
Show InChI InChI=1S/C24H23ClN2O3S/c1-16(28)27-15-20-13-18(22-5-3-4-6-23(22)26-31(2,29)30)9-7-17(20)8-10-19-14-21(25)11-12-24(19)27/h3-7,9,11-14,26H,8,10,15H2,1-2H3
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3


Bioorg Med Chem Lett 16: 1532-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.039
BindingDB Entry DOI: 10.7270/Q2CV4HBV
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50179967
PNG
(3-(5-acetyl-2-chloro-5,6,11,12-tetrahydro-dibenzo[...)
Show SMILES COC(=O)c1cccc(c1)-c1ccc2CCc3cc(Cl)ccc3N(Cc2c1)C(C)=O
Show InChI InChI=1S/C25H22ClNO3/c1-16(28)27-15-22-13-19(18-4-3-5-21(12-18)25(29)30-2)8-6-17(22)7-9-20-14-23(26)10-11-24(20)27/h3-6,8,10-14H,7,9,15H2,1-2H3
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3 by SEAP assay


Bioorg Med Chem Lett 16: 1532-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.039
BindingDB Entry DOI: 10.7270/Q2CV4HBV
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50179964
PNG
(1-[2-chloro-8-(2-hydroxymethyl-phenyl)-11,12-dihyd...)
Show SMILES CC(=O)N1Cc2cc(ccc2CCc2cc(Cl)ccc12)-c1ccccc1CO
Show InChI InChI=1S/C24H22ClNO2/c1-16(28)26-14-21-12-18(23-5-3-2-4-20(23)15-27)8-6-17(21)7-9-19-13-22(25)10-11-24(19)26/h2-6,8,10-13,27H,7,9,14-15H2,1H3
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3 by SEAP assay


Bioorg Med Chem Lett 16: 1532-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.039
BindingDB Entry DOI: 10.7270/Q2CV4HBV
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Macaca fascicularis)
BDBM50156282
PNG
(CHEMBL3780847)
Show SMILES [H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)C1CC[C@@]1(C)C2CC=C1c1cccnc1 |r,c:22,t:3|
Show InChI InChI=1/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22,26H,6,8-12,14H2,1-2H3/t18-,19-,21?,22?,23-,24+/s2
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP17A1 in cynomolgus monkey using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity assay in presence of...


ACS Med Chem Lett 7: 40-5 (2016)


BindingDB Entry DOI: 10.7270/Q2TH8PK5
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50179934
PNG
(4-(5-acetyl-2-chloro-5,6,11,12-tetrahydro-dibenzo[...)
Show SMILES CC(=O)N1Cc2cc(ccc2CCc2cc(Cl)ccc12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H19ClN2O/c1-16(28)27-15-22-12-20(18-4-2-17(14-26)3-5-18)8-6-19(22)7-9-21-13-23(25)10-11-24(21)27/h2-6,8,10-13H,7,9,15H2,1H3
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3


Bioorg Med Chem Lett 16: 1532-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.039
BindingDB Entry DOI: 10.7270/Q2CV4HBV
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50179970
PNG
(1-[2-chloro-8-(4-methoxy-phenyl)-11,12-dihydro-6H-...)
Show SMILES COc1ccc(cc1)-c1ccc2CCc3cc(Cl)ccc3N(Cc2c1)C(C)=O
Show InChI InChI=1S/C24H22ClNO2/c1-16(27)26-15-21-13-19(17-7-10-23(28-2)11-8-17)5-3-18(21)4-6-20-14-22(25)9-12-24(20)26/h3,5,7-14H,4,6,15H2,1-2H3
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3


Bioorg Med Chem Lett 16: 1532-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.039
BindingDB Entry DOI: 10.7270/Q2CV4HBV
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Macaca fascicularis)
BDBM50156282
PNG
(CHEMBL3780847)
Show SMILES [H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)C1CC[C@@]1(C)C2CC=C1c1cccnc1 |r,c:22,t:3|
Show InChI InChI=1/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22,26H,6,8-12,14H2,1-2H3/t18-,19-,21?,22?,23-,24+/s2
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP17A1 in cynomolgus monkey adrenal microsomes using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity a...


ACS Med Chem Lett 7: 40-5 (2016)


BindingDB Entry DOI: 10.7270/Q2TH8PK5
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50179939
PNG
(3-(5-acetyl-2-chloro-5,6,11,12-tetrahydro-dibenzo[...)
Show SMILES CC(=O)N1Cc2cc(ccc2CCc2cc(Cl)ccc12)-c1cccc(c1)C#N
Show InChI InChI=1S/C24H19ClN2O/c1-16(28)27-15-22-12-20(19-4-2-3-17(11-19)14-26)7-5-18(22)6-8-21-13-23(25)9-10-24(21)27/h2-5,7,9-13H,6,8,15H2,1H3
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3


Bioorg Med Chem Lett 16: 1532-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.039
BindingDB Entry DOI: 10.7270/Q2CV4HBV
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50156233
PNG
(CHEMBL3780658)
Show SMILES Cc1ccncc1-c1cccc2n(ncc12)-c1cccnn1
Show InChI InChI=1S/C17H13N5/c1-12-7-9-18-10-14(12)13-4-2-5-16-15(13)11-20-22(16)17-6-3-8-19-21-17/h2-11H,1H3
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CYP17A1 expressed in HEK293 cell microsomes using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity...


ACS Med Chem Lett 7: 40-5 (2016)


BindingDB Entry DOI: 10.7270/Q2TH8PK5
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50156235
PNG
(CHEMBL3780266)
Show SMILES Cc1ccncc1-c1cccc2n(ncc12)-c1nccs1
Show InChI InChI=1S/C16H12N4S/c1-11-5-6-17-9-13(11)12-3-2-4-15-14(12)10-19-20(15)16-18-7-8-21-16/h2-10H,1H3
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n/an/a 4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CYP17A1 expressed in HEK293 cell microsomes using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity...


ACS Med Chem Lett 7: 40-5 (2016)


BindingDB Entry DOI: 10.7270/Q2TH8PK5
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50156281
PNG
(CHEMBL3780743)
Show SMILES Cc1ccncc1-c1cccc2n(ncc12)-c1ccccc1
Show InChI InChI=1S/C19H15N3/c1-14-10-11-20-12-17(14)16-8-5-9-19-18(16)13-21-22(19)15-6-3-2-4-7-15/h2-13H,1H3
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n/an/a 4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CYP17A1 expressed in HEK293 cell microsomes using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity...


ACS Med Chem Lett 7: 40-5 (2016)


BindingDB Entry DOI: 10.7270/Q2TH8PK5
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Macaca fascicularis)
BDBM50391846
PNG
(CHEMBL2147041 | US9133160, 31)
Show SMILES Cc1ccncc1-c1cccc2n(CC(F)(F)F)cnc12
Show InChI InChI=1S/C15H12F3N3/c1-10-5-6-19-7-12(10)11-3-2-4-13-14(11)20-9-21(13)8-15(16,17)18/h2-7,9H,8H2,1H3
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP17A1 in cynomolgus monkey using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity assay in presence of...


ACS Med Chem Lett 7: 40-5 (2016)


BindingDB Entry DOI: 10.7270/Q2TH8PK5
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50179956
PNG
(1-(2-chloro-8-phenyl-11,12-dihydro-6H-dibenzo[b,f]...)
Show SMILES CC(=O)N1Cc2cc(ccc2CCc2cc(Cl)ccc12)-c1ccccc1
Show InChI InChI=1S/C23H20ClNO/c1-16(26)25-15-21-13-19(17-5-3-2-4-6-17)9-7-18(21)8-10-20-14-22(24)11-12-23(20)25/h2-7,9,11-14H,8,10,15H2,1H3
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n/an/a 4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3


Bioorg Med Chem Lett 16: 1532-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.039
BindingDB Entry DOI: 10.7270/Q2CV4HBV
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50179958
PNG
(1-(9-benzylamino-11,12-dihydro-6H-dibenzo[b,f]azoc...)
Show SMILES CC(=O)N1Cc2ccc(NCc3ccccc3)cc2CCc2ccccc12
Show InChI InChI=1S/C24H24N2O/c1-18(27)26-17-22-13-14-23(25-16-19-7-3-2-4-8-19)15-21(22)12-11-20-9-5-6-10-24(20)26/h2-10,13-15,25H,11-12,16-17H2,1H3
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n/an/a 4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3 by SEAP assay


Bioorg Med Chem Lett 16: 1532-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.039
BindingDB Entry DOI: 10.7270/Q2CV4HBV
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50179935
PNG
(1-(8-Phenyl-11,12-dihydro-6H-dibenzo[b,f]azocin-5-...)
Show SMILES CC(=O)N1Cc2cc(ccc2CCc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C23H21NO/c1-17(25)24-16-22-15-21(18-7-3-2-4-8-18)14-12-19(22)11-13-20-9-5-6-10-23(20)24/h2-10,12,14-15H,11,13,16H2,1H3
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n/an/a 4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3 by SEAP assay


Bioorg Med Chem Lett 16: 1532-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.039
BindingDB Entry DOI: 10.7270/Q2CV4HBV
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50179966
PNG
(2-(5-acetyl-2-chloro-5,6,11,12-tetrahydro-dibenzo[...)
Show SMILES CC(=O)N1Cc2cc(ccc2CCc2cc(Cl)ccc12)-c1ccccc1C#N
Show InChI InChI=1S/C24H19ClN2O/c1-16(28)27-15-21-12-18(23-5-3-2-4-20(23)14-26)8-6-17(21)7-9-19-13-22(25)10-11-24(19)27/h2-6,8,10-13H,7,9,15H2,1H3
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n/an/a 5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3


Bioorg Med Chem Lett 16: 1532-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.039
BindingDB Entry DOI: 10.7270/Q2CV4HBV
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50156236
PNG
(CHEMBL3780048)
Show SMILES Cc1ccncc1-c1cccc2n(ncc12)-c1cscn1
Show InChI InChI=1S/C16H12N4S/c1-11-5-6-17-7-13(11)12-3-2-4-15-14(12)8-19-20(15)16-9-21-10-18-16/h2-10H,1H3
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CYP17A1 expressed in HEK293 cell microsomes using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity...


ACS Med Chem Lett 7: 40-5 (2016)


BindingDB Entry DOI: 10.7270/Q2TH8PK5
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50156234
PNG
(CHEMBL3780226)
Show SMILES Cc1ccncc1-c1cccc2n(ncc12)-c1cnccn1
Show InChI InChI=1S/C17H13N5/c1-12-5-6-18-9-14(12)13-3-2-4-16-15(13)10-21-22(16)17-11-19-7-8-20-17/h2-11H,1H3
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CYP17A1 expressed in HEK293 cell microsomes using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity...


ACS Med Chem Lett 7: 40-5 (2016)


BindingDB Entry DOI: 10.7270/Q2TH8PK5
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50156231
PNG
(CHEMBL3781112)
Show SMILES Cc1ccncc1-c1cccc2n(ncc12)-c1ccc(F)cc1
Show InChI InChI=1S/C19H14FN3/c1-13-9-10-21-11-17(13)16-3-2-4-19-18(16)12-22-23(19)15-7-5-14(20)6-8-15/h2-12H,1H3
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CYP17A1 expressed in HEK293 cell microsomes using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity...


ACS Med Chem Lett 7: 40-5 (2016)


BindingDB Entry DOI: 10.7270/Q2TH8PK5
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50179932
PNG
(1-[2-chloro-8-(2-methoxy-phenyl)-11,12-dihydro-6H-...)
Show SMILES COc1ccccc1-c1ccc2CCc3cc(Cl)ccc3N(Cc2c1)C(C)=O
Show InChI InChI=1S/C24H22ClNO2/c1-16(27)26-15-20-13-18(22-5-3-4-6-24(22)28-2)9-7-17(20)8-10-19-14-21(25)11-12-23(19)26/h3-7,9,11-14H,8,10,15H2,1-2H3
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n/an/a 5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3 by SEAP assay


Bioorg Med Chem Lett 16: 1532-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.039
BindingDB Entry DOI: 10.7270/Q2CV4HBV
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50391839
PNG
(CHEMBL2147034 | US9133160, 2)
Show SMILES Cc1ccncc1-c1cccc2n(cnc12)-c1ccccn1
Show InChI InChI=1S/C18H14N4/c1-13-8-10-19-11-15(13)14-5-4-6-16-18(14)21-12-22(16)17-7-2-3-9-20-17/h2-12H,1H3
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n/an/a 6n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CYP17A1 expressed in HEK293 cell microsomes using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity...


ACS Med Chem Lett 7: 40-5 (2016)


BindingDB Entry DOI: 10.7270/Q2TH8PK5
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50179933
PNG
(1-(9-bromo-11,12-dihydro-6H-dibenzo[b,f]azocin-5-y...)
Show SMILES CC(=O)N1Cc2ccc(Br)cc2CCc2ccccc12
Show InChI InChI=1S/C17H16BrNO/c1-12(20)19-11-15-8-9-16(18)10-14(15)7-6-13-4-2-3-5-17(13)19/h2-5,8-10H,6-7,11H2,1H3
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n/an/a 7n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3


Bioorg Med Chem Lett 16: 1532-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.039
BindingDB Entry DOI: 10.7270/Q2CV4HBV
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50156238
PNG
(CHEMBL3781910)
Show SMILES Cc1ccncc1-c1cccc2n(cnc12)-c1cscn1
Show InChI InChI=1S/C16H12N4S/c1-11-5-6-17-7-13(11)12-3-2-4-14-16(12)18-9-20(14)15-8-21-10-19-15/h2-10H,1H3
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CYP17A1 expressed in HEK293 cell microsomes using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity...


ACS Med Chem Lett 7: 40-5 (2016)


BindingDB Entry DOI: 10.7270/Q2TH8PK5
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50179958
PNG
(1-(9-benzylamino-11,12-dihydro-6H-dibenzo[b,f]azoc...)
Show SMILES CC(=O)N1Cc2ccc(NCc3ccccc3)cc2CCc2ccccc12
Show InChI InChI=1S/C24H24N2O/c1-18(27)26-17-22-13-14-23(25-16-19-7-3-2-4-8-19)15-21(22)12-11-20-9-5-6-10-24(20)26/h2-10,13-15,25H,11-12,16-17H2,1H3
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n/an/a 8n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3


Bioorg Med Chem Lett 16: 1532-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.039
BindingDB Entry DOI: 10.7270/Q2CV4HBV
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50179937
PNG
(1-[2-chloro-8-(3-methoxy-phenyl)-11,12-dihydro-6H-...)
Show SMILES COc1cccc(c1)-c1ccc2CCc3cc(Cl)ccc3N(Cc2c1)C(C)=O
Show InChI InChI=1S/C24H22ClNO2/c1-16(27)26-15-21-12-19(18-4-3-5-23(14-18)28-2)8-6-17(21)7-9-20-13-22(25)10-11-24(20)26/h3-6,8,10-14H,7,9,15H2,1-2H3
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3


Bioorg Med Chem Lett 16: 1532-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.039
BindingDB Entry DOI: 10.7270/Q2CV4HBV
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50156237
PNG
(CHEMBL3781487)
Show SMILES Cc1ccncc1-c1cccc2n(cnc12)-c1nccs1
Show InChI InChI=1S/C16H12N4S/c1-11-5-6-17-9-13(11)12-3-2-4-14-15(12)19-10-20(14)16-18-7-8-21-16/h2-10H,1H3
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CYP17A1 expressed in HEK293 cell microsomes using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity...


ACS Med Chem Lett 7: 40-5 (2016)


BindingDB Entry DOI: 10.7270/Q2TH8PK5
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50179944
PNG
(1-(8-bromo-11,12-dihydro-6H-dibenzo[b,f]azocin-5-y...)
Show SMILES CC(=O)N1Cc2cc(Br)ccc2CCc2ccccc12
Show InChI InChI=1S/C17H16BrNO/c1-12(20)19-11-15-10-16(18)9-8-13(15)6-7-14-4-2-3-5-17(14)19/h2-5,8-10H,6-7,11H2,1H3
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3


Bioorg Med Chem Lett 16: 1532-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.039
BindingDB Entry DOI: 10.7270/Q2CV4HBV
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50179936
PNG
(CHEMBL382563 | N-[2-(5-acetyl-2-chloro-5,6,11,12-t...)
Show SMILES CC(=O)N1Cc2cc(ccc2CCc2cc(Cl)ccc12)-c1ccccc1NS(C)(=O)=O
Show InChI InChI=1S/C24H23ClN2O3S/c1-16(28)27-15-20-13-18(22-5-3-4-6-23(22)26-31(2,29)30)9-7-17(20)8-10-19-14-21(25)11-12-24(19)27/h3-7,9,11-14,26H,8,10,15H2,1-2H3
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3 by SEAP assay


Bioorg Med Chem Lett 16: 1532-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.039
BindingDB Entry DOI: 10.7270/Q2CV4HBV
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50179976
PNG
(1-(2,3-dichloro-6,11-dihydro-5-thia-12-aza-dibenzo...)
Show SMILES CC(=O)N1Cc2ccccc2CSc2cc(Cl)c(Cl)cc12
Show InChI InChI=1S/C16H13Cl2NOS/c1-10(20)19-8-11-4-2-3-5-12(11)9-21-16-7-14(18)13(17)6-15(16)19/h2-7H,8-9H2,1H3
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n/an/a 10n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3


Bioorg Med Chem Lett 16: 1532-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.039
BindingDB Entry DOI: 10.7270/Q2CV4HBV
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50179939
PNG
(3-(5-acetyl-2-chloro-5,6,11,12-tetrahydro-dibenzo[...)
Show SMILES CC(=O)N1Cc2cc(ccc2CCc2cc(Cl)ccc12)-c1cccc(c1)C#N
Show InChI InChI=1S/C24H19ClN2O/c1-16(28)27-15-22-12-20(19-4-2-3-17(11-19)14-26)7-5-18(22)6-8-21-13-23(25)9-10-24(21)27/h2-5,7,9-13H,6,8,15H2,1H3
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n/an/a 15n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3 by SEAP assay


Bioorg Med Chem Lett 16: 1532-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.039
BindingDB Entry DOI: 10.7270/Q2CV4HBV
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50179956
PNG
(1-(2-chloro-8-phenyl-11,12-dihydro-6H-dibenzo[b,f]...)
Show SMILES CC(=O)N1Cc2cc(ccc2CCc2cc(Cl)ccc12)-c1ccccc1
Show InChI InChI=1S/C23H20ClNO/c1-16(26)25-15-21-13-19(17-5-3-2-4-6-17)9-7-18(21)8-10-20-14-22(24)11-12-23(20)25/h2-7,9,11-14H,8,10,15H2,1H3
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n/an/a 18n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3 by SEAP assay


Bioorg Med Chem Lett 16: 1532-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.039
BindingDB Entry DOI: 10.7270/Q2CV4HBV
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50391846
PNG
(CHEMBL2147041 | US9133160, 31)
Show SMILES Cc1ccncc1-c1cccc2n(CC(F)(F)F)cnc12
Show InChI InChI=1S/C15H12F3N3/c1-10-5-6-19-7-12(10)11-3-2-4-13-14(11)20-9-21(13)8-15(16,17)18/h2-7,9H,8H2,1H3
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n/an/a 19n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CYP17A1 expressed in HEK293 cell microsomes using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity...


ACS Med Chem Lett 7: 40-5 (2016)


BindingDB Entry DOI: 10.7270/Q2TH8PK5
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50179934
PNG
(4-(5-acetyl-2-chloro-5,6,11,12-tetrahydro-dibenzo[...)
Show SMILES CC(=O)N1Cc2cc(ccc2CCc2cc(Cl)ccc12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H19ClN2O/c1-16(28)27-15-22-12-20(18-4-2-17(14-26)3-5-18)8-6-19(22)7-9-21-13-23(25)10-11-24(21)27/h2-6,8,10-13H,7,9,15H2,1H3
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n/an/a 19n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3 by SEAP assay


Bioorg Med Chem Lett 16: 1532-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.039
BindingDB Entry DOI: 10.7270/Q2CV4HBV
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50391846
PNG
(CHEMBL2147041 | US9133160, 31)
Show SMILES Cc1ccncc1-c1cccc2n(CC(F)(F)F)cnc12
Show InChI InChI=1S/C15H12F3N3/c1-10-5-6-19-7-12(10)11-3-2-4-13-14(11)20-9-21(13)8-15(16,17)18/h2-7,9H,8H2,1H3
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n/an/a 20n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP17A1 in human adrenal microsomes using [3H]-pregnenolone as substrate incubated for 90 mins by scintillation proximity assay in pres...


ACS Med Chem Lett 7: 40-5 (2016)


BindingDB Entry DOI: 10.7270/Q2TH8PK5
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50156282
PNG
(CHEMBL3780847)
Show SMILES [H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)C1CC[C@@]1(C)C2CC=C1c1cccnc1 |r,c:22,t:3|
Show InChI InChI=1/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22,26H,6,8-12,14H2,1-2H3/t18-,19-,21?,22?,23-,24+/s2
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n/an/a 21n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP17A1 in human adrenal microsomes using [3H]-pregnenolone as substrate incubated for 90 mins by scintillation proximity assay in pres...


ACS Med Chem Lett 7: 40-5 (2016)


BindingDB Entry DOI: 10.7270/Q2TH8PK5
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50179941
PNG
(2-(5-acetyl-2-chloro-5,6,11,12-tetrahydro-dibenzo[...)
Show SMILES CNC(=O)c1ccccc1-c1ccc2CCc3cc(Cl)ccc3N(Cc2c1)C(C)=O
Show InChI InChI=1S/C25H23ClN2O2/c1-16(29)28-15-20-13-18(22-5-3-4-6-23(22)25(30)27-2)9-7-17(20)8-10-19-14-21(26)11-12-24(19)28/h3-7,9,11-14H,8,10,15H2,1-2H3,(H,27,30)
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n/an/a 25n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3


Bioorg Med Chem Lett 16: 1532-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.039
BindingDB Entry DOI: 10.7270/Q2CV4HBV
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50179941
PNG
(2-(5-acetyl-2-chloro-5,6,11,12-tetrahydro-dibenzo[...)
Show SMILES CNC(=O)c1ccccc1-c1ccc2CCc3cc(Cl)ccc3N(Cc2c1)C(C)=O
Show InChI InChI=1S/C25H23ClN2O2/c1-16(29)28-15-20-13-18(22-5-3-4-6-23(22)25(30)27-2)9-7-17(20)8-10-19-14-21(26)11-12-24(19)28/h3-7,9,11-14H,8,10,15H2,1-2H3,(H,27,30)
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n/an/a 25n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3 by SEAP assay


Bioorg Med Chem Lett 16: 1532-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.039
BindingDB Entry DOI: 10.7270/Q2CV4HBV
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50179959
PNG
(1-(2-chloro-6,11-dihydro-5-thia-12-aza-dibenzo[a,e...)
Show SMILES CC(=O)N1Cc2ccccc2CSc2ccc(Cl)cc12
Show InChI InChI=1S/C16H14ClNOS/c1-11(19)18-9-12-4-2-3-5-13(12)10-20-16-7-6-14(17)8-15(16)18/h2-8H,9-10H2,1H3
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n/an/a 30n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3


Bioorg Med Chem Lett 16: 1532-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.039
BindingDB Entry DOI: 10.7270/Q2CV4HBV
More data for this
Ligand-Target Pair
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