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Compile Data Set for Download or QSAR

Found 32 hits of Enz. Inhib. data with enzyme = 'Cytochrome P450 17A1' and Substrate = 'to-be-curated'   
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
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM314731
PNG
(US9611270, Example 21)
Show SMILES CC(=O)N1CC[C@H]2[C@@H]3CC=C(c4cccnc4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@H](O)C[C@H]12
Show InChI InChI=1S/C26H36N2O2/c1-17(29)28-14-10-20-22-7-6-21(18-5-4-13-27-16-18)25(22,2)12-9-23(20)26(3)11-8-19(30)15-24(26)28/h4-6,13,16,19-20,22-24,30H,7-12,14-15H2,1-3H3/t19-,20-,22-,23-,24-,25+,26+/m0/s1
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n/an/a 1n/an/an/an/an/an/a



UNIVERSITY OF KANSAS

US Patent


Assay Description
Complementary assays were utilized for the quantitative comparison of compound activity data for CYP17A1 and CYP21A2. Progesterone is a substrate for...


US Patent US9611270 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM144614
PNG
(US8969586, 1 | US9598436, 1)
Show SMILES Cc1ccncc1-c1cccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C19H14N2O/c1-13-10-11-20-12-17(13)15-8-5-9-16-18(21-22-19(15)16)14-6-3-2-4-7-14/h2-12H,1H3
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n/an/a 1.10n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well optiplates. The final assay volume was 15 μl prepared from 7.5 μl additions of microsomes (p...


US Patent US9598436 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM314735
PNG
(US9611270, Example 32)
Show SMILES CN[C@H]1C[C@H]2[C@@H]3CC=C(c4cccnc4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@H](O)CC12
Show InChI InChI=1S/C25H36N2O/c1-24-11-9-21-18(20(24)7-6-19(24)16-5-4-12-27-15-16)14-23(26-3)22-13-17(28)8-10-25(21,22)2/h4-6,12,15,17-18,20-23,26,28H,7-11,13-14H2,1-3H3/t17-,18-,20-,21-,22?,23-,24+,25+/m0/s1
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UNIVERSITY OF KANSAS

US Patent


Assay Description
Complementary assays were utilized for the quantitative comparison of compound activity data for CYP17A1 and CYP21A2. Progesterone is a substrate for...


US Patent US9611270 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM144616
PNG
(US8969586, 6 | US9598436, 6)
Show SMILES Cc1ccncc1-c1cccc2c(noc12)-c1ccc(F)cc1
Show InChI InChI=1S/C19H13FN2O/c1-12-9-10-21-11-17(12)15-3-2-4-16-18(22-23-19(15)16)13-5-7-14(20)8-6-13/h2-11H,1H3
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well optiplates. The final assay volume was 15 μl prepared from 7.5 μl additions of microsomes (p...


US Patent US9598436 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM144623
PNG
(US8969586, 86 | US9598436, 86)
Show SMILES Cc1ccncc1-c1ccnc2c(noc12)-c1ccc(F)cc1
Show InChI InChI=1S/C18H12FN3O/c1-11-6-8-20-10-15(11)14-7-9-21-17-16(22-23-18(14)17)12-2-4-13(19)5-3-12/h2-10H,1H3
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well optiplates. The final assay volume was 15 μl prepared from 7.5 μl additions of microsomes (p...


US Patent US9598436 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM144626
PNG
(US8969586, 99 | US9598436, 99)
Show SMILES Fc1ccc(cc1)-c1csc2c(ccnc12)-c1cncnc1C1CC1
Show InChI InChI=1S/C20H14FN3S/c21-14-5-3-12(4-6-14)17-10-25-20-15(7-8-23-19(17)20)16-9-22-11-24-18(16)13-1-2-13/h3-11,13H,1-2H2
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well optiplates. The final assay volume was 15 μl prepared from 7.5 μl additions of microsomes (p...


US Patent US9598436 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM144627
PNG
(US8969586, 103 | US9598436, 103)
Show SMILES Nc1ncncc1-c1ccnc2c(csc12)-c1ccc(F)cc1Cl
Show InChI InChI=1S/C17H10ClFN4S/c18-14-5-9(19)1-2-10(14)13-7-24-16-11(3-4-22-15(13)16)12-6-21-8-23-17(12)20/h1-8H,(H2,20,21,23)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well optiplates. The final assay volume was 15 μl prepared from 7.5 μl additions of microsomes (p...


US Patent US9598436 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50358201
PNG
(CHEMBL1921976 | US9611270, orteronel)
Show SMILES CNC(=O)c1ccc2cc(ccc2c1)[C@@]1(O)CCn2cncc12
Show InChI InChI=1S/C18H17N3O2/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21/h2-5,8-11,23H,6-7H2,1H3,(H,19,22)/t18-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



UNIVERSITY OF KANSAS

US Patent


Assay Description
Complementary assays were utilized for the quantitative comparison of compound activity data for CYP17A1 and CYP21A2. Progesterone is a substrate for...


US Patent US9611270 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM314733
PNG
(US9611270, Example 30)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC(=O)N[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2c1cccnc1
Show InChI InChI=1S/C24H32N2O2/c1-23-10-8-20-17(19(23)6-5-18(23)15-4-3-11-25-14-15)13-22(28)26-21-12-16(27)7-9-24(20,21)2/h3-5,11,14,16-17,19-21,27H,6-10,12-13H2,1-2H3,(H,26,28)/t16-,17-,19-,20-,21-,23+,24+/m0/s1
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UNIVERSITY OF KANSAS

US Patent


Assay Description
Complementary assays were utilized for the quantitative comparison of compound activity data for CYP17A1 and CYP21A2. Progesterone is a substrate for...


US Patent US9611270 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM144625
PNG
(US8969586, 98 | US9598436, 98)
Show SMILES Cc1ncncc1-c1ccnc2c(csc12)-c1ccc(F)cc1
Show InChI InChI=1S/C18H12FN3S/c1-11-15(8-20-10-22-11)14-6-7-21-17-16(9-23-18(14)17)12-2-4-13(19)5-3-12/h2-10H,1H3
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n/an/a 8n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well optiplates. The final assay volume was 15 μl prepared from 7.5 μl additions of microsomes (p...


US Patent US9598436 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM144620
PNG
(US8969586, 52 | US9598436, 52)
Show SMILES Clc1ccccc1-c1noc2c(cccc12)-c1cncnc1-n1cncn1
Show InChI InChI=1S/C19H11ClN6O/c20-16-7-2-1-4-13(16)17-14-6-3-5-12(18(14)27-25-17)15-8-21-9-23-19(15)26-11-22-10-24-26/h1-11H
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n/an/a 42n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well optiplates. The final assay volume was 15 μl prepared from 7.5 μl additions of microsomes (p...


US Patent US9598436 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM144619
PNG
(US8969586, 30 | US9598436, 30)
Show SMILES Clc1ccncc1-c1cccc2c(noc12)C1CC1
Show InChI InChI=1S/C15H11ClN2O/c16-13-6-7-17-8-12(13)10-2-1-3-11-14(9-4-5-9)18-19-15(10)11/h1-3,6-9H,4-5H2
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n/an/a 48n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well optiplates. The final assay volume was 15 μl prepared from 7.5 μl additions of microsomes (p...


US Patent US9598436 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM144628
PNG
(US8969586, 109 | US9598436, 109)
Show SMILES Fc1ccc(cc1)-c1csc2c(cccc12)-c1cncc2ccccc12
Show InChI InChI=1S/C23H14FNS/c24-17-10-8-15(9-11-17)22-14-26-23-19(6-3-7-20(22)23)21-13-25-12-16-4-1-2-5-18(16)21/h1-14H
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well optiplates. The final assay volume was 15 μl prepared from 7.5 μl additions of microsomes (p...


US Patent US9598436 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM144618
PNG
(US8969586, 26 | US9598436, 26)
Show SMILES FC(F)(F)COc1ncncc1-c1cccc2c(noc12)-c1cnccn1
Show InChI InChI=1S/C17H10F3N5O2/c18-17(19,20)8-26-16-12(6-22-9-24-16)10-2-1-3-11-14(25-27-15(10)11)13-7-21-4-5-23-13/h1-7,9H,8H2
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n/an/a 65n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well optiplates. The final assay volume was 15 μl prepared from 7.5 μl additions of microsomes (p...


US Patent US9598436 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM144624
PNG
(US8969586, 94 | US9598436, 94)
Show SMILES Cc1ccncc1-c1ccnc2c(csc12)-c1nccs1
Show InChI InChI=1S/C16H11N3S2/c1-10-2-4-17-8-12(10)11-3-5-18-14-13(9-21-15(11)14)16-19-6-7-20-16/h2-9H,1H3
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n/an/a 76n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well optiplates. The final assay volume was 15 μl prepared from 7.5 μl additions of microsomes (p...


US Patent US9598436 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM144631
PNG
(US8969586, 129 | US9598436, 129)
Show SMILES COc1ccc(COc2noc3c(cccc23)-c2cnccc2C)cc1
Show InChI InChI=1S/C21H18N2O3/c1-14-10-11-22-12-19(14)17-4-3-5-18-20(17)26-23-21(18)25-13-15-6-8-16(24-2)9-7-15/h3-12H,13H2,1-2H3
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n/an/a 79n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well optiplates. The final assay volume was 15 μl prepared from 7.5 μl additions of microsomes (p...


US Patent US9598436 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM314740
PNG
(US9611270, Example 42)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC(C(N)=O)=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2c1cccnc1
Show InChI InChI=1S/C25H32N2O2/c1-24-10-8-21-17(20(24)6-5-19(24)15-4-3-11-27-14-15)13-18(23(26)29)22-12-16(28)7-9-25(21,22)2/h3-5,11,14,16-17,20-21,28H,6-10,12-13H2,1-2H3,(H2,26,29)/t16-,17-,20-,21-,24+,25+/m0/s1
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UNIVERSITY OF KANSAS

US Patent


Assay Description
Complementary assays were utilized for the quantitative comparison of compound activity data for CYP17A1 and CYP21A2. Progesterone is a substrate for...


US Patent US9611270 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM25458
PNG
((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2c1cccnc1
Show InChI InChI=1S/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+/m0/s1
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n/an/a 130n/an/an/an/an/an/a



UNIVERSITY OF KANSAS

US Patent


Assay Description
Complementary assays were utilized for the quantitative comparison of compound activity data for CYP17A1 and CYP21A2. Progesterone is a substrate for...


US Patent US9611270 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM314736
PNG
(US9611270, Example 33)
Show SMILES C[C@]12CC[C@H]3[C@@H](C\C(=N/O)[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2c1cccnc1
Show InChI InChI=1S/C24H32N2O2/c1-23-10-8-20-17(19(23)6-5-18(23)15-4-3-11-25-14-15)13-22(26-28)21-12-16(27)7-9-24(20,21)2/h3-5,11,14,16-17,19-21,27-28H,6-10,12-13H2,1-2H3/b26-22+/t16-,17-,19-,20-,21+,23+,24+/m0/s1
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n/an/a 150n/an/an/an/an/an/a



UNIVERSITY OF KANSAS

US Patent


Assay Description
Complementary assays were utilized for the quantitative comparison of compound activity data for CYP17A1 and CYP21A2. Progesterone is a substrate for...


US Patent US9611270 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM314738
PNG
(US9611270, Example 38)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC(C#N)=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2c1cccnc1
Show InChI InChI=1S/C25H30N2O/c1-24-10-8-22-19(21(24)6-5-20(24)16-4-3-11-27-15-16)12-17(14-26)23-13-18(28)7-9-25(22,23)2/h3-5,11,15,18-19,21-22,28H,6-10,12-13H2,1-2H3/t18-,19-,21-,22-,24+,25+/m0/s1
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n/an/a 174n/an/an/an/an/an/a



UNIVERSITY OF KANSAS

US Patent


Assay Description
Complementary assays were utilized for the quantitative comparison of compound activity data for CYP17A1 and CYP21A2. Progesterone is a substrate for...


US Patent US9611270 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM314739
PNG
(US9611270, Example 39 | US9611270, Example 41)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC(=C4C[C@@H](O)CC[C@]34C)[N+]([O-])=O)[C@@H]1CC=C2c1cccnc1
Show InChI InChI=1S/C24H30N2O3/c1-23-10-8-20-17(19(23)6-5-18(23)15-4-3-11-25-14-15)13-22(26(28)29)21-12-16(27)7-9-24(20,21)2/h3-5,11,14,16-17,19-20,27H,6-10,12-13H2,1-2H3/t16-,17-,19-,20-,23+,24+/m0/s1
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UNIVERSITY OF KANSAS

US Patent


Assay Description
Complementary assays were utilized for the quantitative comparison of compound activity data for CYP17A1 and CYP21A2. Progesterone is a substrate for...


US Patent US9611270 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM144617
PNG
(US8969586, 14 | US9598436, 14)
Show SMILES Fc1ccc(cc1)-c1noc2c(cccc12)-c1cncn2cccc12
Show InChI InChI=1S/C20H12FN3O/c21-14-8-6-13(7-9-14)19-16-4-1-3-15(20(16)25-23-19)17-11-22-12-24-10-2-5-18(17)24/h1-12H
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n/an/a 192n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well optiplates. The final assay volume was 15 μl prepared from 7.5 μl additions of microsomes (p...


US Patent US9598436 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM314734
PNG
(US9611270, Example 31)
Show SMILES C[C@]12CC[C@H]3[C@@H](Cc4nnnn4[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2c1cccnc1
Show InChI InChI=1S/C24H31N5O/c1-23-10-8-20-17(19(23)6-5-18(23)15-4-3-11-25-14-15)13-22-26-27-28-29(22)21-12-16(30)7-9-24(20,21)2/h3-5,11,14,16-17,19-21,30H,6-10,12-13H2,1-2H3/t16-,17-,19-,20-,21-,23+,24+/m0/s1
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UNIVERSITY OF KANSAS

US Patent


Assay Description
Complementary assays were utilized for the quantitative comparison of compound activity data for CYP17A1 and CYP21A2. Progesterone is a substrate for...


US Patent US9611270 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM314732
PNG
(US9611270, Example 29)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC(=O)[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2c1cccnc1
Show InChI InChI=1S/C24H31NO2/c1-23-10-8-20-17(13-22(27)21-12-16(26)7-9-24(20,21)2)19(23)6-5-18(23)15-4-3-11-25-14-15/h3-5,11,14,16-17,19-21,26H,6-10,12-13H2,1-2H3/t16-,17-,19-,20-,21+,23+,24+/m0/s1
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UNIVERSITY OF KANSAS

US Patent


Assay Description
Complementary assays were utilized for the quantitative comparison of compound activity data for CYP17A1 and CYP21A2. Progesterone is a substrate for...


US Patent US9611270 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM314737
PNG
(US9611270, Example 37)
Show SMILES C[C@]12CC[C@H]3[C@@H](C=C(C#N)C4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2c1cccnc1
Show InChI InChI=1S/C25H30N2O/c1-24-10-8-22-19(21(24)6-5-20(24)16-4-3-11-27-15-16)12-17(14-26)23-13-18(28)7-9-25(22,23)2/h3-5,11-12,15,18-19,21-23,28H,6-10,13H2,1-2H3/t18-,19-,21-,22-,23?,24+,25+/m0/s1
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UNIVERSITY OF KANSAS

US Patent


Assay Description
Complementary assays were utilized for the quantitative comparison of compound activity data for CYP17A1 and CYP21A2. Progesterone is a substrate for...


US Patent US9611270 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM144630
PNG
(US8969586, 128 | US9598436, 128)
Show SMILES Cc1ccncc1-c1cccc2c(OCc3ccc(Cl)cc3)noc12
Show InChI InChI=1S/C20H15ClN2O2/c1-13-9-10-22-11-18(13)16-3-2-4-17-19(16)25-23-20(17)24-12-14-5-7-15(21)8-6-14/h2-11H,12H2,1H3
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n/an/a 251n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well optiplates. The final assay volume was 15 μl prepared from 7.5 μl additions of microsomes (p...


US Patent US9598436 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50435990
PNG
(GALETERONE | TOK-001 | US9611270, galaterone | VN/...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2n1cnc2ccccc12
Show InChI InChI=1S/C26H32N2O/c1-25-13-11-18(29)15-17(25)7-8-19-20-9-10-24(26(20,2)14-12-21(19)25)28-16-27-22-5-3-4-6-23(22)28/h3-7,10,16,18-21,29H,8-9,11-15H2,1-2H3/t18-,19-,20-,21-,25-,26-/m0/s1
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n/an/a 282n/an/an/an/an/an/a



UNIVERSITY OF KANSAS

US Patent


Assay Description
Complementary assays were utilized for the quantitative comparison of compound activity data for CYP17A1 and CYP21A2. Progesterone is a substrate for...


US Patent US9611270 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM144615
PNG
(US8969586, 4 | US9598436, 4)
Show SMILES Cc1ncncc1-c1cccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C18H13N3O/c1-12-16(10-19-11-20-12)14-8-5-9-15-17(21-22-18(14)15)13-6-3-2-4-7-13/h2-11H,1H3
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well optiplates. The final assay volume was 15 μl prepared from 7.5 μl additions of microsomes (p...


US Patent US9598436 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM314730
PNG
(US9611270, Example 8)
Show SMILES C[C@]12CC[C@H]3[C@@H](C[C@@H]4O[C@@]44C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2c1cccnc1
Show InChI InChI=1S/C24H31NO2/c1-22-9-8-20-17(19(22)6-5-18(22)15-4-3-11-25-14-15)12-21-24(27-21)13-16(26)7-10-23(20,24)2/h3-5,11,14,16-17,19-21,26H,6-10,12-13H2,1-2H3/t16-,17-,19-,20-,21-,22+,23+,24-/m0/s1
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UNIVERSITY OF KANSAS

US Patent


Assay Description
Complementary assays were utilized for the quantitative comparison of compound activity data for CYP17A1 and CYP21A2. Progesterone is a substrate for...


US Patent US9611270 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM302871
PNG
(3-(2-Methoxyethoxy)-7-(4-methylpyridin-3-yl)benzo[...)
Show SMILES CN(C)CCOc1noc2c(cccc12)-c1cnccc1C
Show InChI InChI=1S/C17H19N3O2/c1-12-7-8-18-11-15(12)13-5-4-6-14-16(13)22-19-17(14)21-10-9-20(2)3/h4-8,11H,9-10H2,1-3H3
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well optiplates. The final assay volume was 15 μl prepared from 7.5 μl additions of microsomes (p...


US Patent US9598436 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM144621
PNG
(US8969586, 57 | US9598436, 57)
Show SMILES Clc1ccccc1-c1noc2c(cccc12)-c1cncnc1-n1nccn1
Show InChI InChI=1S/C19H11ClN6O/c20-16-7-2-1-4-13(16)17-14-6-3-5-12(18(14)27-25-17)15-10-21-11-22-19(15)26-23-8-9-24-26/h1-11H
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well optiplates. The final assay volume was 15 μl prepared from 7.5 μl additions of microsomes (p...


US Patent US9598436 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM144629
PNG
(US8969586, 124 | US9598436, 124)
Show SMILES Cc1ccncc1-c1cccc2c(OCc3ccc4ccccc4c3)noc12
Show InChI InChI=1S/C24H18N2O2/c1-16-11-12-25-14-22(16)20-7-4-8-21-23(20)28-26-24(21)27-15-17-9-10-18-5-2-3-6-19(18)13-17/h2-14H,15H2,1H3
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n/an/a 611n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well optiplates. The final assay volume was 15 μl prepared from 7.5 μl additions of microsomes (p...


US Patent US9598436 (2017)

More data for this
Ligand-Target Pair