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Found 323 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 17A1' AND taxid = 10116   
Target
(Institution)
LigandTarget
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
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50409041
PNG
(CHEMBL2111947)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2[C@H]1CN1
Show InChI InChI=1S/C21H33NO/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19-12-22-19)21(16,2)10-8-17(15)20/h3,14-19,22-23H,4-12H2,1-2H3/t14-,15-,16-,17-,18+,19+,20-,21-/m0/s1
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3n/an/an/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Binding affinity for Cytochrome P450 17 from rat testicular microsomes


J Med Chem 43: 4437-45 (2000)

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


(Rattus norvegicus (Rat))
BDBM50409039
PNG
(CHEMBL2111951)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)C1=CC[C@@H]2[C@H]1CN1
Show InChI InChI=1S/C21H31NO/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19-12-22-19)21(16,2)10-8-17(15)20/h3,5,14-15,17-19,22-23H,4,6-12H2,1-2H3/t14-,15-,17-,18+,19+,20-,21-/m0/s1
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7n/an/an/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Binding affinity for Cytochrome P450 17 from rat testicular microsomes


J Med Chem 43: 4437-45 (2000)

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


(Rattus norvegicus (Rat))
BDBM50094191
PNG
(17-Aziridin-2-ylmethyl-10,13-dimethyl-2,3,4,7,8,9,...)
Show SMILES CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2CC1CN1
Show InChI InChI=1S/C22H35NO/c1-21-9-7-17(24)12-15(21)3-5-18-19-6-4-14(11-16-13-23-16)22(19,2)10-8-20(18)21/h3,14,16-20,23-24H,4-13H2,1-2H3
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9n/an/an/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Binding affinity for Cytochrome P450 17 from rat testicular microsomes


J Med Chem 43: 4437-45 (2000)

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


(Rattus norvegicus (Rat))
BDBM158429
PNG
(US9029399, 2A)
Show SMILES FC(F)(F)c1cc(ccn1)N1CCN(C1=O)c1cnccc1C1CC1
Show InChI InChI=1S/C17H15F3N4O/c18-17(19,20)15-9-12(3-6-22-15)23-7-8-24(16(23)25)14-10-21-5-4-13(14)11-1-2-11/h3-6,9-11H,1-2,7-8H2
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n/an/a 1.10n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...


US Patent US9029399 (2015)

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


(Rattus norvegicus (Rat))
BDBM132137
PNG
(USRE45173, 70A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C16H14F3N3O/c1-11-5-6-20-10-14(11)22-8-7-21(15(22)23)13-4-2-3-12(9-13)16(17,18)19/h2-6,9-10H,7-8H2,1H3
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n/an/a 2n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)

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


(Rattus norvegicus (Rat))
BDBM132104
PNG
(USRE45173, 14A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C19H17N3O/c1-14-8-9-20-13-18(14)22-11-10-21(19(22)23)17-7-6-15-4-2-3-5-16(15)12-17/h2-9,12-13H,10-11H2,1H3
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Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)

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


(Rattus norvegicus (Rat))
BDBM158428
PNG
(US9029399, 1A)
Show SMILES Clc1cc(ccn1)N1CCN(C1=O)c1cnccc1C1CC1
Show InChI InChI=1S/C16H15ClN4O/c17-15-9-12(3-6-19-15)20-7-8-21(16(20)22)14-10-18-5-4-13(14)11-1-2-11/h3-6,9-11H,1-2,7-8H2
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n/an/a 2.70n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...


US Patent US9029399 (2015)

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


(Rattus norvegicus (Rat))
BDBM158460
PNG
(US9029399, 32A-II)
Show SMILES FC(F)(F)c1cc(ccn1)N1[C@H]2C[C@H]2N(C1=O)c1cnccc1C1CC1
Show InChI InChI=1S/C18H15F3N4O/c19-18(20,21)16-7-11(3-6-23-16)24-13-8-14(13)25(17(24)26)15-9-22-5-4-12(15)10-1-2-10/h3-7,9-10,13-14H,1-2,8H2/t13-,14+/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...


US Patent US9029399 (2015)

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


(Rattus norvegicus (Rat))
BDBM132121
PNG
(USRE45173, 41A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc(Cl)s1
Show InChI InChI=1S/C13H12ClN3OS/c1-9-4-5-15-8-10(9)16-6-7-17(13(16)18)12-3-2-11(14)19-12/h2-5,8H,6-7H2,1H3
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n/an/a 3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)

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


(Rattus norvegicus (Rat))
BDBM158436
PNG
(US9029399, 9A)
Show SMILES COc1cc(ccn1)N1CCN(C1=O)c1cnccc1C1CC1
Show InChI InChI=1S/C17H18N4O2/c1-23-16-10-13(4-7-19-16)20-8-9-21(17(20)22)15-11-18-6-5-14(15)12-2-3-12/h4-7,10-12H,2-3,8-9H2,1H3
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n/an/a 4.60n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...


US Patent US9029399 (2015)

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


(Rattus norvegicus (Rat))
BDBM132127
PNG
(USRE45173, 52A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc2ncccc2c1
Show InChI InChI=1S/C18H16N4O/c1-13-6-8-19-12-17(13)22-10-9-21(18(22)23)15-4-5-16-14(11-15)3-2-7-20-16/h2-8,11-12H,9-10H2,1H3
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n/an/a 5n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)

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


(Rattus norvegicus (Rat))
BDBM132106
PNG
(USRE45173, 16A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc2ncsc2c1
Show InChI InChI=1S/C16H14N4OS/c1-11-4-5-17-9-14(11)20-7-6-19(16(20)21)12-2-3-13-15(8-12)22-10-18-13/h2-5,8-10H,6-7H2,1H3
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n/an/a 5n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)

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


(Rattus norvegicus (Rat))
BDBM132163
PNG
(USRE45173, 102A)
Show SMILES Cc1n[nH]c2cc(ccc12)N1CCN(C1=O)c1cnccc1C
Show InChI InChI=1S/C17H17N5O/c1-11-5-6-18-10-16(11)22-8-7-21(17(22)23)13-3-4-14-12(2)19-20-15(14)9-13/h3-6,9-10H,7-8H2,1-2H3,(H,19,20)
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n/an/a 5n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)

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


(Rattus norvegicus (Rat))
BDBM132111
PNG
(USRE45173, 21A | USRE45173, 22A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc2nc(Cl)cc(C)c2c1
Show InChI InChI=1S/C19H17ClN4O/c1-12-5-6-21-11-17(12)24-8-7-23(19(24)25)14-3-4-16-15(10-14)13(2)9-18(20)22-16/h3-6,9-11H,7-8H2,1-2H3
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n/an/a 5n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)

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


(Rattus norvegicus (Rat))
BDBM50338363
PNG
(CHEMBL1682893 | rac-6-[1-Hydroxy-1-(1H-imidazol-4-...)
Show SMILES CNC(=O)c1ccc2cc(ccc2c1)C(O)(C(C)C)c1cnc[nH]1
Show InChI InChI=1S/C19H21N3O2/c1-12(2)19(24,17-10-21-11-22-17)16-7-6-13-8-15(18(23)20-3)5-4-14(13)9-16/h4-12,24H,1-3H3,(H,20,23)(H,21,22)
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n/an/a 6n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of 17,20 lyase activity in Sprague-Dawley rat testicular microsomes


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


(Rattus norvegicus (Rat))
BDBM50338363
PNG
(CHEMBL1682893 | rac-6-[1-Hydroxy-1-(1H-imidazol-4-...)
Show SMILES CNC(=O)c1ccc2cc(ccc2c1)C(O)(C(C)C)c1cnc[nH]1
Show InChI InChI=1S/C19H21N3O2/c1-12(2)19(24,17-10-21-11-22-17)16-7-6-13-8-15(18(23)20-3)5-4-14(13)9-16/h4-12,24H,1-3H3,(H,20,23)(H,21,22)
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n/an/a 6.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of 17,20-lyase activity of Sprague-Dawley rat testicular microsomal CYP17A1 using [1,2-3H]-17a-hydroxyprogesterone as substrate after 15 m...


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


(Rattus norvegicus (Rat))
BDBM132130
PNG
(USRE45173, 55A)
Show SMILES Cc1cccc(c1)N1CCN(C1=O)c1cnccc1C
Show InChI InChI=1S/C16H17N3O/c1-12-4-3-5-14(10-12)18-8-9-19(16(18)20)15-11-17-7-6-13(15)2/h3-7,10-11H,8-9H2,1-2H3
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n/an/a 7n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)

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


(Rattus norvegicus (Rat))
BDBM50063475
PNG
((10R,13S)-17-Imidazol-1-yl-10,13-dimethyl-1,2,6,7,...)
Show SMILES C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC=C2n1ccnc1
Show InChI InChI=1S/C22H28N2O/c1-21-9-7-16(25)13-15(21)3-4-17-18-5-6-20(24-12-11-23-14-24)22(18,2)10-8-19(17)21/h6,11-14,17-19H,3-5,7-10H2,1-2H3/t17?,18?,19?,21-,22-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of rat Cytochrome P450 17A1


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


(Rattus norvegicus (Rat))
BDBM50342169
PNG
(CHEMBL1766170 | rac-1-(4'-Fluoro[1,1'-biphenyl]-3-...)
Show SMILES CC(C)C(O)(c1cnc[nH]1)c1cccc(c1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H19FN2O/c1-13(2)19(23,18-11-21-12-22-18)16-5-3-4-15(10-16)14-6-8-17(20)9-7-14/h3-13,23H,1-2H3,(H,21,22)
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n/an/a 8.30n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of 17,20 lyase activity in Sprague-Dawley rat testicular microsomes


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


(Rattus norvegicus (Rat))
BDBM50063479
PNG
((10R,13S)-10,13-Dimethyl-17-[1,2,3]triazol-1-yl-1,...)
Show SMILES C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC=C2n1ccnn1
Show InChI InChI=1S/C21H27N3O/c1-20-9-7-15(25)13-14(20)3-4-16-17-5-6-19(24-12-11-22-23-24)21(17,2)10-8-18(16)20/h6,11-13,16-18H,3-5,7-10H2,1-2H3/t16?,17?,18?,20-,21-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of rat cytochrome P450 17A1


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


(Rattus norvegicus (Rat))
BDBM50063477
PNG
((3S,10R,13S)-17-Imidazol-1-yl-10,13-dimethyl-2,3,4...)
Show SMILES C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CC=C2n1ccnc1
Show InChI InChI=1S/C22H30N2O/c1-21-9-7-16(25)13-15(21)3-4-17-18-5-6-20(24-12-11-23-14-24)22(18,2)10-8-19(17)21/h3,6,11-12,14,16-19,25H,4-5,7-10,13H2,1-2H3/t16-,17?,18?,19?,21-,22-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of rat Cytochrome P450 17A1


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


(Rattus norvegicus (Rat))
BDBM50063476
PNG
((3S,10R,13S)-10,13-Dimethyl-17-[1,2,3]triazol-1-yl...)
Show SMILES C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CC=C2n1ccnn1
Show InChI InChI=1S/C21H29N3O/c1-20-9-7-15(25)13-14(20)3-4-16-17-5-6-19(24-12-11-22-23-24)21(17,2)10-8-18(16)20/h3,6,11-12,15-18,25H,4-5,7-10,13H2,1-2H3/t15-,16?,17?,18?,20-,21-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of rat Cytochrome P450 17A1


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


(Rattus norvegicus (Rat))
BDBM50325328
PNG
(4-((1H-imidazol-1-yl)methyl)phenyl biphenyl-4-sulf...)
Show SMILES O=S(=O)(Oc1ccc(Cn2ccnc2)cc1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H18N2O3S/c25-28(26,22-12-8-20(9-13-22)19-4-2-1-3-5-19)27-21-10-6-18(7-11-21)16-24-15-14-23-17-24/h1-15,17H,16H2
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n/an/a 10n/an/an/an/an/an/a



University of the West of Scotland

Curated by ChEMBL


Assay Description
Inhibition of 17,20-lyase activity of rat testicular microsomal P450-17alpha


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


(Rattus norvegicus (Rat))
BDBM50342168
PNG
(CHEMBL1765101 | rac-1-(1H-Imidazol-4-yl)-1-(4'-met...)
Show SMILES COc1ccc(cc1)-c1cccc(c1)C(O)(C(C)C)c1cnc[nH]1
Show InChI InChI=1S/C20H22N2O2/c1-14(2)20(23,19-12-21-13-22-19)17-6-4-5-16(11-17)15-7-9-18(24-3)10-8-15/h4-14,23H,1-3H3,(H,21,22)
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n/an/a 10n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of 17,20 lyase activity in Sprague-Dawley rat testicular microsomes


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


(Rattus norvegicus (Rat))
BDBM132138
PNG
(USRE45173, 72A)
Show SMILES COc1cc(ccn1)N1CCN(C1=O)c1cnccc1C
Show InChI InChI=1S/C15H16N4O2/c1-11-3-5-16-10-13(11)19-8-7-18(15(19)20)12-4-6-17-14(9-12)21-2/h3-6,9-10H,7-8H2,1-2H3
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n/an/a 10n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)

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


(Rattus norvegicus (Rat))
BDBM50338355
PNG
(CHEMBL1682894 | rac-N-Ethyl-6-[1-Hydroxy-1-(1H-imi...)
Show SMILES CCNC(=O)c1ccc2cc(ccc2c1)C(O)(C(C)C)c1cnc[nH]1
Show InChI InChI=1S/C20H23N3O2/c1-4-22-19(24)16-6-5-15-10-17(8-7-14(15)9-16)20(25,13(2)3)18-11-21-12-23-18/h5-13,25H,4H2,1-3H3,(H,21,23)(H,22,24)
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n/an/a 11n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of 17,20 lyase activity in Sprague-Dawley rat testicular microsomes


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


(Rattus norvegicus (Rat))
BDBM50338349
PNG
(CHEMBL1682890 | rac-N'-{6-[1-Hydroxy-1-(1H-imidazo...)
Show SMILES CNC(=O)Nc1ccc2cc(ccc2c1)C(O)(C(C)C)c1cnc[nH]1
Show InChI InChI=1S/C19H22N4O2/c1-12(2)19(25,17-10-21-11-22-17)15-6-4-14-9-16(23-18(24)20-3)7-5-13(14)8-15/h4-12,25H,1-3H3,(H,21,22)(H2,20,23,24)
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n/an/a 11n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of 17,20 lyase activity in Sprague-Dawley rat testicular microsomes


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


(Rattus norvegicus (Rat))
BDBM132109
PNG
(USRE45173, 19A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H19N3O/c1-16-11-12-22-15-20(16)24-14-13-23(21(24)25)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-12,15H,13-14H2,1H3
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n/an/a 11n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)

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


(Rattus norvegicus (Rat))
BDBM50063478
PNG
((10R,13S)-10,13-Dimethyl-17-[1,2,4]triazol-1-yl-1,...)
Show SMILES C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC=C2n1cncn1
Show InChI InChI=1S/C21H27N3O/c1-20-9-7-15(25)11-14(20)3-4-16-17-5-6-19(24-13-22-12-23-24)21(17,2)10-8-18(16)20/h6,11-13,16-18H,3-5,7-10H2,1-2H3/t16?,17?,18?,20-,21-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of rat Cytochrome P450 17A1


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


(Rattus norvegicus (Rat))
BDBM132185
PNG
(USRE45173, 124A)
Show SMILES COc1ccncc1N1CCN(C1=O)c1ccc2ncsc2c1
Show InChI InChI=1S/C16H14N4O2S/c1-22-14-4-5-17-9-13(14)20-7-6-19(16(20)21)11-2-3-12-15(8-11)23-10-18-12/h2-5,8-10H,6-7H2,1H3
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n/an/a 12n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)

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


(Rattus norvegicus (Rat))
BDBM132108
PNG
(USRE45173, 18A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C15H14FN3O/c1-11-6-7-17-10-14(11)19-9-8-18(15(19)20)13-4-2-12(16)3-5-13/h2-7,10H,8-9H2,1H3
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n/an/a 12n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)

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


(Rattus norvegicus (Rat))
BDBM50338353
PNG
(CHEMBL1682899 | rac-6-[1-Hydroxy-1-(1H-imidazol-4-...)
Show SMILES CNC(=O)c1cc2ccc(cc2cc1C)C(O)(C(C)C)c1cnc[nH]1
Show InChI InChI=1S/C20H23N3O2/c1-12(2)20(25,18-10-22-11-23-18)16-6-5-14-9-17(19(24)21-4)13(3)7-15(14)8-16/h5-12,25H,1-4H3,(H,21,24)(H,22,23)
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n/an/a 12n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of 17,20 lyase activity in Sprague-Dawley rat testicular microsomes


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


(Rattus norvegicus (Rat))
BDBM50338358
PNG
(CHEMBL1682896 | rac-6-[1-Hydroxy-1-(1H-imidazol-4-...)
Show SMILES CC(C)NC(=O)c1ccc2cc(ccc2c1)C(O)(C(C)C)c1cnc[nH]1
Show InChI InChI=1S/C21H25N3O2/c1-13(2)21(26,19-11-22-12-23-19)18-8-7-15-9-17(6-5-16(15)10-18)20(25)24-14(3)4/h5-14,26H,1-4H3,(H,22,23)(H,24,25)
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n/an/a 12n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of 17,20 lyase activity in Sprague-Dawley rat testicular microsomes


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


(Rattus norvegicus (Rat))
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 13n/an/an/an/an/an/a



University of Szeged

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat testicular C17,20-lyase using [3H]17-hydroxyprogesterone as substrate preincubated for 20 mins


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


(Rattus norvegicus (Rat))
BDBM50338351
PNG
(CHEMBL1682895 | rac-6-[1-Hydroxy-1-(1H-imidazol-4-...)
Show SMILES CCCNC(=O)c1ccc2cc(ccc2c1)C(O)(C(C)C)c1cnc[nH]1
Show InChI InChI=1S/C21H25N3O2/c1-4-9-23-20(25)17-6-5-16-11-18(8-7-15(16)10-17)21(26,14(2)3)19-12-22-13-24-19/h5-8,10-14,26H,4,9H2,1-3H3,(H,22,24)(H,23,25)
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n/an/a 13n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of 17,20 lyase activity in Sprague-Dawley rat testicular microsomes


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


(Rattus norvegicus (Rat))
BDBM50061174
PNG
((10R,13S)-17-(1H-Imidazol-4-yl)-10,13-dimethyl-1,2...)
Show SMILES C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC=C2c1cnc[nH]1
Show InChI InChI=1S/C22H28N2O/c1-21-9-7-15(25)11-14(21)3-4-16-17-5-6-19(20-12-23-13-24-20)22(17,2)10-8-18(16)21/h6,11-13,16-18H,3-5,7-10H2,1-2H3,(H,23,24)/t16?,17?,18?,21-,22-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of rat testicular microsomal Cytochrome P450 17A1


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


(Rattus norvegicus (Rat))
BDBM50296971
PNG
(4-((1H-imidazol-1-yl)methyl)phenyl 4-fluorobenzene...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Oc1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C16H13FN2O3S/c17-14-3-7-16(8-4-14)23(20,21)22-15-5-1-13(2-6-15)11-19-10-9-18-12-19/h1-10,12H,11H2
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n/an/a 14n/an/an/an/an/an/a



University of the West of Scotland

Curated by ChEMBL


Assay Description
Inhibition of 17,20-lyase activity of rat testicular microsomal P450-17alpha


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


(Rattus norvegicus (Rat))
BDBM50338362
PNG
(CHEMBL1682888 | rac-1-{6-[1-Hydroxy-1-(1H-imidazol...)
Show SMILES CC(C)C(O)(c1cnc[nH]1)c1ccc2cc(ccc2c1)C(C)=O
Show InChI InChI=1S/C19H20N2O2/c1-12(2)19(23,18-10-20-11-21-18)17-7-6-15-8-14(13(3)22)4-5-16(15)9-17/h4-12,23H,1-3H3,(H,20,21)
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n/an/a 14n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of 17,20 lyase activity in Sprague-Dawley rat testicular microsomes


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


(Rattus norvegicus (Rat))
BDBM50342186
PNG
((S)-N-(4'-(1-hydroxy-1-(1H-imidazol-4-yl)-2-methyl...)
Show SMILES CC(C)[C@@](O)(c1cnc[nH]1)c1ccc(cc1)-c1cccc(NC(C)=O)c1
Show InChI InChI=1S/C21H23N3O2/c1-14(2)21(26,20-12-22-13-23-20)18-9-7-16(8-10-18)17-5-4-6-19(11-17)24-15(3)25/h4-14,26H,1-3H3,(H,22,23)(H,24,25)/t21-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of 17,20 lyase activity in Sprague-Dawley rat testicular microsomes


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


(Rattus norvegicus (Rat))
BDBM50342167
PNG
(CHEMBL1766169 | rac-1-[1,1'-biphenyl]-3-yl-1-(1H-i...)
Show SMILES CC(C)C(O)(c1cnc[nH]1)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C19H20N2O/c1-14(2)19(22,18-12-20-13-21-18)17-10-6-9-16(11-17)15-7-4-3-5-8-15/h3-14,22H,1-2H3,(H,20,21)
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n/an/a 15n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of 17,20 lyase activity in Sprague-Dawley rat testicular microsomes


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


(Rattus norvegicus (Rat))
BDBM50358195
PNG
(CHEMBL1921979)
Show SMILES CNC(=O)c1ccc2cc(ccc2c1)C1CCn2cncc12
Show InChI InChI=1S/C18H17N3O/c1-19-18(22)15-5-3-12-8-14(4-2-13(12)9-15)16-6-7-21-11-20-10-17(16)21/h2-5,8-11,16H,6-7H2,1H3,(H,19,22)
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n/an/a 15n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of 17,20-lyase activity of Sprague-Dawley rat testicular microsomal CYP17A1 using [1,2-3H]-17a-hydroxyprogesterone as substrate after 15 m...


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


(Rattus norvegicus (Rat))
BDBM50338360
PNG
((+)-(R)-7-(1-hydroxy-1-(1H-imidazol-4-yl)-2-methyl...)
Show SMILES CC(C)[C@](O)(c1cnc[nH]1)c1ccc2c3CN(C)C(=O)c3ccc2c1
Show InChI InChI=1S/C20H21N3O2/c1-12(2)20(25,18-9-21-11-22-18)14-5-7-15-13(8-14)4-6-16-17(15)10-23(3)19(16)24/h4-9,11-12,25H,10H2,1-3H3,(H,21,22)/t20-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of 17,20 lyase activity in Sprague-Dawley rat testicular microsomes


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


(Rattus norvegicus (Rat))
BDBM132102
PNG
(USRE45173, 7A)
Show SMILES O=C1N(CCN1c1ccc2sccc2c1)c1cccnc1
Show InChI InChI=1S/C16H13N3OS/c20-16-18(7-8-19(16)14-2-1-6-17-11-14)13-3-4-15-12(10-13)5-9-21-15/h1-6,9-11H,7-8H2
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n/an/a 16n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)

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


(Rattus norvegicus (Rat))
BDBM50342175
PNG
(CHEMBL1766176 | rac-N-{4-[1-Hydroxy-1-(1H-imidazol...)
Show SMILES CC(C)C(O)(c1cnc[nH]1)c1ccc(cc1)-c1cccc(NC(C)=O)c1
Show InChI InChI=1S/C21H23N3O2/c1-14(2)21(26,20-12-22-13-23-20)18-9-7-16(8-10-18)17-5-4-6-19(11-17)24-15(3)25/h4-14,26H,1-3H3,(H,22,23)(H,24,25)
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n/an/a 17n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of 17,20 lyase activity in Sprague-Dawley rat testicular microsomes


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


(Rattus norvegicus (Rat))
BDBM50342190
PNG
((S)-N-(4'-(1-hydroxy-1-(1H-imidazol-4-yl)propyl)bi...)
Show SMILES CC[C@@](O)(c1cnc[nH]1)c1ccc(cc1)-c1cccc(NC(C)=O)c1
Show InChI InChI=1S/C20H21N3O2/c1-3-20(25,19-12-21-13-22-19)17-9-7-15(8-10-17)16-5-4-6-18(11-16)23-14(2)24/h4-13,25H,3H2,1-2H3,(H,21,22)(H,23,24)/t20-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of 17,20 lyase activity in Sprague-Dawley rat testicular microsomes


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


(Rattus norvegicus (Rat))
BDBM50342170
PNG
(CHEMBL1766171 | rac-1-(4'-Chloro[1,1'-biphenyl]-3-...)
Show SMILES CC(C)C(O)(c1cnc[nH]1)c1cccc(c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H19ClN2O/c1-13(2)19(23,18-11-21-12-22-18)16-5-3-4-15(10-16)14-6-8-17(20)9-7-14/h3-13,23H,1-2H3,(H,21,22)
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n/an/a 19n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of 17,20 lyase activity in Sprague-Dawley rat testicular microsomes


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


(Rattus norvegicus (Rat))
BDBM132113
PNG
(USRE45173, 23A)
Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc2ccccc2n1
Show InChI InChI=1S/C18H16N4O/c1-13-8-9-19-12-16(13)21-10-11-22(18(21)23)17-7-6-14-4-2-3-5-15(14)20-17/h2-9,12H,10-11H2,1H3
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n/an/a 20n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)

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


(Rattus norvegicus (Rat))
BDBM50325329
PNG
(4-((1H-imidazol-1-yl)methyl)phenyl 4-ethylbenzenes...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)Oc1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C18H18N2O3S/c1-2-15-5-9-18(10-6-15)24(21,22)23-17-7-3-16(4-8-17)13-20-12-11-19-14-20/h3-12,14H,2,13H2,1H3
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n/an/a 20n/an/an/an/an/an/a



University of the West of Scotland

Curated by ChEMBL


Assay Description
Inhibition of 17,20-lyase activity of rat testicular microsomal P450-17alpha


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


(Rattus norvegicus (Rat))
BDBM50338366
PNG
((S)-1-(1H-imidazol-4-yl)-1-(6-methoxynaphthalen-2-...)
Show SMILES COc1ccc2cc(ccc2c1)[C@@](O)(C(C)C)c1cnc[nH]1
Show InChI InChI=1S/C18H20N2O2/c1-12(2)18(21,17-10-19-11-20-17)15-6-4-14-9-16(22-3)7-5-13(14)8-15/h4-12,21H,1-3H3,(H,19,20)/t18-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of 17,20 lyase activity in Sprague-Dawley rat testicular microsomes


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


(Rattus norvegicus (Rat))
BDBM132107
PNG
(USRE45173, 17A)
Show SMILES CCN1C(=O)CCc2cc(ccc12)N1CCN(C1=O)c1cnccc1C
Show InChI InChI=1S/C20H22N4O2/c1-3-22-17-6-5-16(12-15(17)4-7-19(22)25)23-10-11-24(20(23)26)18-13-21-9-8-14(18)2/h5-6,8-9,12-13H,3-4,7,10-11H2,1-2H3
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US Patent
n/an/a 21n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)

More data for this
Ligand-Target Pair
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