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PubMed code 11087568

Compile data set for download or QSAR
Found 55 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
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)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
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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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 human testicular microsomes


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
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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6n/an/an/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


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


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
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)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
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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8n/an/an/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


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


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
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)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50093602
PNG
(17-(1H-Imidazol-4-yl)-10,13-dimethyl-2,3,4,7,8,9,1...)
Show SMILES CC12CCC3C(CC=C4CC(O)CCC34C)C1CC=C2c1cnc[nH]1
Show InChI InChI=1S/C22H30N2O/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/h3,6,12-13,15-18,25H,4-5,7-11H2,1-2H3,(H,23,24)
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n/an/a 40n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Inhibition of Cytochrome P450 17 from rat testicular microsomes


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50006551
PNG
((+)3-(4-Amino-phenyl)-3-cyclohexyl-piperidine-2,6-...)
Show SMILES Nc1ccc(cc1)C1(CCC(=O)NC1=O)C1CCCCC1
Show InChI InChI=1S/C17H22N2O2/c18-14-8-6-13(7-9-14)17(12-4-2-1-3-5-12)11-10-15(20)19-16(17)21/h6-9,12H,1-5,10-11,18H2,(H,19,20,21)
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n/an/a 150n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Inhibition of thromboxane synthase P450 TXA2


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50094190
PNG
(10,13-Dimethyl-17-(2H-pyrazol-3-yl)-2,3,4,7,8,9,10...)
Show SMILES CC12CCC3C(CC=C4CC(O)CCC34C)C1CC=C2c1ccn[nH]1
Show InChI InChI=1S/C22H30N2O/c1-21-10-7-15(25)13-14(21)3-4-16-17-5-6-19(20-9-12-23-24-20)22(17,2)11-8-18(16)21/h3,6,9,12,15-18,25H,4-5,7-8,10-11,13H2,1-2H3,(H,23,24)
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n/an/a 180n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Inhibition of Cytochrome P450 17 from rat testicular microsomes


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
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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n/an/a 210n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Inhibition of Cytochrome P450 17 from rat testicular microsomes


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
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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n/an/a 290n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Cytochrome P450 17 from human testicular microsomes


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
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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n/an/a 400n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Cytochrome P450 17 from human testicular microsomes


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50409040
PNG
(CHEMBL2111948)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4CC(=O)CC[C@]34C)[C@@H]1CC[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/h3,15-19,22H,4-12H2,1-2H3/t15-,16-,17-,18+,19+,20-,21-/m0/s1
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n/an/a 420n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Cytochrome P450 17 from rat testicular microsomes


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
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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n/an/a 430n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Cytochrome P450 17 from rat testicular microsomes


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
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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n/an/a 530n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Cytochrome P450 17 from rat testicular microsomes


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
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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n/an/a 540n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Cytochrome P450 17 from human testicular microsomes


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM31768
PNG
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1
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n/an/a 740n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Cytochrome P450 17 from human testicular microsomes


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50409046
PNG
(CHEMBL2112782)
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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n/an/a 970n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Cytochrome P450 17 from human testicular microsomes


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Cytochrome P450 11A1 (CYP11A1)


(Bos taurus (Bovine))
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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n/an/a 1.00E+3n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Inhibition of P450 scc


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM7962
PNG
(4-(2-Imidazol-1-yl-ethoxy)-benzoic acid; hydrochlo...)
Show SMILES OC(=O)c1ccc(OCCn2ccnc2)cc1
Show InChI InChI=1S/C12H12N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Inhibition of thromboxane synthase P450 TXA2


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50409042
PNG
(CHEMBL2112781)
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]1CO1
Show InChI InChI=1S/C21H32O2/c1-20-9-7-14(22)11-13(20)3-4-15-16-5-6-18(19-12-23-19)21(16,2)10-8-17(15)20/h3,14-19,22H,4-12H2,1-2H3/t14-,15-,16-,17-,18+,19+,20-,21-/m0/s1
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n/an/a 1.25E+3n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Cytochrome P450 17 from human testicular microsomes


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50094189
PNG
(17-Aziridin-2-ylmethyl-10,13-dimethyl-1,2,4,7,8,9,...)
Show SMILES CC12CCC3C(CC=C4CC(=O)CCC34C)C1CCC2CC1CN1
Show InChI InChI=1S/C22H33NO/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/h3,14,16,18-20,23H,4-13H2,1-2H3
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n/an/a 1.32E+3n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Cytochrome P450 17 from rat testicular microsomes


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50409040
PNG
(CHEMBL2111948)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4CC(=O)CC[C@]34C)[C@@H]1CC[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/h3,15-19,22H,4-12H2,1-2H3/t15-,16-,17-,18+,19+,20-,21-/m0/s1
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n/an/a 1.52E+3n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Cytochrome P450 17 from human testicular microsomes


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50409048
PNG
(CHEMBL2112772)
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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n/an/a 1.52E+3n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Cytochrome P450 17 from human testicular microsomes


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50094189
PNG
(17-Aziridin-2-ylmethyl-10,13-dimethyl-1,2,4,7,8,9,...)
Show SMILES CC12CCC3C(CC=C4CC(=O)CCC34C)C1CCC2CC1CN1
Show InChI InChI=1S/C22H33NO/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/h3,14,16,18-20,23H,4-13H2,1-2H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Inhibition of steroid 5-alpha-reductase type I isozyme


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50094193
PNG
((R)-10,13-Dimethyl-17-thiiranyl-2,3,4,7,8,9,10,11,...)
Show SMILES CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2C1CS1
Show InChI InChI=1S/C21H32OS/c1-20-9-7-14(22)11-13(20)3-4-15-16-5-6-18(19-12-23-19)21(16,2)10-8-17(15)20/h3,14-19,22H,4-12H2,1-2H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Cytochrome P450 17 from human testicular microsomes


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50094189
PNG
(17-Aziridin-2-ylmethyl-10,13-dimethyl-1,2,4,7,8,9,...)
Show SMILES CC12CCC3C(CC=C4CC(=O)CCC34C)C1CCC2CC1CN1
Show InChI InChI=1S/C22H33NO/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/h3,14,16,18-20,23H,4-13H2,1-2H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Cytochrome P450 17 from human testicular microsomes


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50094193
PNG
((R)-10,13-Dimethyl-17-thiiranyl-2,3,4,7,8,9,10,11,...)
Show SMILES CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2C1CS1
Show InChI InChI=1S/C21H32OS/c1-20-9-7-14(22)11-13(20)3-4-15-16-5-6-18(19-12-23-19)21(16,2)10-8-17(15)20/h3,14-19,22H,4-12H2,1-2H3
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n/an/a>2.50E+3n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Cytochrome P450 17 from rat testicular microsomes


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50409045
PNG
(CHEMBL2112777)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4CC(=O)CC[C@]34C)[C@@H]1CC[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/h3,15-19,22H,4-12H2,1-2H3/t15-,16-,17-,18+,19-,20-,21-/m0/s1
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n/an/a>2.50E+3n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Cytochrome P450 17 from human testicular microsomes


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50094201
PNG
(10,13-Dimethyl-17-(3-methyl-3H-diazirin-3-yl)-2,3,...)
Show SMILES CC1(N=N1)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
Show InChI InChI=1S/C21H32N2O/c1-19-10-8-14(24)12-13(19)4-5-15-16-6-7-18(21(3)22-23-21)20(16,2)11-9-17(15)19/h4,14-18,24H,5-12H2,1-3H3
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n/an/a>2.50E+3n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Cytochrome P450 17 from human testicular microsomes


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50409044
PNG
(CHEMBL2111950)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@]2(O)[C@@H]1CN1
Show InChI InChI=1S/C21H33NO2/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,24)18-12-22-18/h3,14-18,22-24H,4-12H2,1-2H3/t14-,15+,16-,17-,18-,19-,20-,21-/m0/s1
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n/an/a>2.50E+3n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Cytochrome P450 17 from human testicular microsomes


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50409043
PNG
(CHEMBL2112775)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@]2(O)[C@H]1CN1
Show InChI InChI=1S/C21H33NO2/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,24)18-12-22-18/h3,14-18,22-24H,4-12H2,1-2H3/t14-,15+,16-,17-,18+,19-,20-,21-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Cytochrome P450 17 from human testicular microsomes


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
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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n/an/a 4.00E+3n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Inhibition of thromboxane synthase P450 TXA2


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
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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n/an/a 7.10E+3n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Inhibition of Cytochrome P450 19A1


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50094189
PNG
(17-Aziridin-2-ylmethyl-10,13-dimethyl-1,2,4,7,8,9,...)
Show SMILES CC12CCC3C(CC=C4CC(=O)CCC34C)C1CCC2CC1CN1
Show InChI InChI=1S/C22H33NO/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/h3,14,16,18-20,23H,4-13H2,1-2H3
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n/an/a 9.00E+3n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Inhibition of steroid 5-alpha-reductase type II isozyme


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50409046
PNG
(CHEMBL2112782)
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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n/an/a 9.67E+3n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Cytochrome P450 17 from rat testicular microsomes


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
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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n/an/a 1.00E+4n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Inhibition of Steroid 5-alpha-reductase type 2 isozyme


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50409040
PNG
(CHEMBL2111948)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4CC(=O)CC[C@]34C)[C@@H]1CC[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/h3,15-19,22H,4-12H2,1-2H3/t15-,16-,17-,18+,19+,20-,21-/m0/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Inhibition of steroid 5-alpha-reductase type II isozyme


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50094192
PNG
(10,13-Dimethyl-17-(3-methyl-diaziridin-3-yl)-2,3,4...)
Show SMILES CC1(NN1)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
Show InChI InChI=1S/C21H34N2O/c1-19-10-8-14(24)12-13(19)4-5-15-16-6-7-18(21(3)22-23-21)20(16,2)11-9-17(15)19/h4,14-18,22-24H,5-12H2,1-3H3
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n/an/a 1.60E+4n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Cytochrome P450 17 from rat testicular microsomes


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Cytochrome P450 11A1 (CYP11A1)


(Bos taurus (Bovine))
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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n/an/a>2.50E+4n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Inhibition of P450 scc


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50094202
PNG
((R)-10,13-Dimethyl-17-oxiranyl-1,2,4,7,8,9,10,11,1...)
Show SMILES CC12CCC3C(CC=C4CC(=O)CCC34C)C1CCC2C1CO1
Show InChI InChI=1S/C21H30O2/c1-20-9-7-14(22)11-13(20)3-4-15-16-5-6-18(19-12-23-19)21(16,2)10-8-17(15)20/h3,15-19H,4-12H2,1-2H3
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Cytochrome P450 17 from rat testicular microsomes


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50094192
PNG
(10,13-Dimethyl-17-(3-methyl-diaziridin-3-yl)-2,3,4...)
Show SMILES CC1(NN1)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
Show InChI InChI=1S/C21H34N2O/c1-19-10-8-14(24)12-13(19)4-5-15-16-6-7-18(21(3)22-23-21)20(16,2)11-9-17(15)19/h4,14-18,22-24H,5-12H2,1-3H3
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Cytochrome P450 17 from human testicular microsomes


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50409047
PNG
(CHEMBL2111949)
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]1CO1
Show InChI InChI=1S/C21H32O2/c1-20-9-7-14(22)11-13(20)3-4-15-16-5-6-18(19-12-23-19)21(16,2)10-8-17(15)20/h3,14-19,22H,4-12H2,1-2H3/t14-,15-,16-,17-,18+,19-,20-,21-/m0/s1
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Cytochrome P450 17 from rat testicular microsomes


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50409044
PNG
(CHEMBL2111950)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@]2(O)[C@@H]1CN1
Show InChI InChI=1S/C21H33NO2/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,24)18-12-22-18/h3,14-18,22-24H,4-12H2,1-2H3/t14-,15+,16-,17-,18-,19-,20-,21-/m0/s1
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n/an/a 3.20E+4n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Cytochrome P450 17 from rat testicular microsomes


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50409048
PNG
(CHEMBL2112772)
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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n/an/a 3.40E+4n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Cytochrome P450 17 from rat testicular microsomes


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
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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n/an/a 3.50E+4n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Inhibition of thromboxane synthase P450 TXA2


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
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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n/an/a>5.00E+4n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Inhibition of Cytochrome P450 19A1


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM31768
PNG
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1
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n/an/a 6.70E+4n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Cytochrome P450 17 from rat testicular microsomes


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50409042
PNG
(CHEMBL2112781)
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]1CO1
Show InChI InChI=1S/C21H32O2/c1-20-9-7-14(22)11-13(20)3-4-15-16-5-6-18(19-12-23-19)21(16,2)10-8-17(15)20/h3,14-19,22H,4-12H2,1-2H3/t14-,15-,16-,17-,18+,19+,20-,21-/m0/s1
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n/an/a 7.00E+4n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Cytochrome P450 17 from rat testicular microsomes


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50094201
PNG
(10,13-Dimethyl-17-(3-methyl-3H-diazirin-3-yl)-2,3,...)
Show SMILES CC1(N=N1)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
Show InChI InChI=1S/C21H32N2O/c1-19-10-8-14(24)12-13(19)4-5-15-16-6-7-18(21(3)22-23-21)20(16,2)11-9-17(15)19/h4,14-18,24H,5-12H2,1-3H3
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n/an/a>1.25E+5n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Cytochrome P450 17 from rat testicular microsomes


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50409043
PNG
(CHEMBL2112775)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@]2(O)[C@H]1CN1
Show InChI InChI=1S/C21H33NO2/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,24)18-12-22-18/h3,14-18,22-24H,4-12H2,1-2H3/t14-,15+,16-,17-,18+,19-,20-,21-/m0/s1
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n/an/a>1.25E+5n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Cytochrome P450 17 from rat testicular microsomes


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50094196
PNG
(17-Azetidin-2-yl-10,13-dimethyl-2,3,4,7,8,9,10,11,...)
Show SMILES CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2C1CCN1
Show InChI InChI=1S/C22H35NO/c1-21-10-7-15(24)13-14(21)3-4-16-17-5-6-19(20-9-12-23-20)22(17,2)11-8-18(16)21/h3,15-20,23-24H,4-13H2,1-2H3
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n/an/a>1.25E+5n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Inhibition of Cytochrome P450 17 from rat testicular microsomes


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50094193
PNG
((R)-10,13-Dimethyl-17-thiiranyl-2,3,4,7,8,9,10,11,...)
Show SMILES CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2C1CS1
Show InChI InChI=1S/C21H32OS/c1-20-9-7-14(22)11-13(20)3-4-15-16-5-6-18(19-12-23-19)21(16,2)10-8-17(15)20/h3,14-19,22H,4-12H2,1-2H3
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n/an/a>1.25E+5n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Cytochrome P450 17 from rat testicular microsomes


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50094194
PNG
((R)-2-(3-Methoxy-10,13-dimethyl-2,3,4,7,8,9,10,11,...)
Show SMILES COC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C1CO1
Show InChI InChI=1S/C22H34O2/c1-21-10-8-15(23-3)12-14(21)4-5-16-17-6-7-19(20-13-24-20)22(17,2)11-9-18(16)21/h4,15-20H,5-13H2,1-3H3
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n/an/a>1.25E+5n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Cytochrome P450 17 from rat testicular microsomes


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50409045
PNG
(CHEMBL2112777)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4CC(=O)CC[C@]34C)[C@@H]1CC[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/h3,15-19,22H,4-12H2,1-2H3/t15-,16-,17-,18+,19-,20-,21-/m0/s1
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n/an/a 3.40E+7n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Cytochrome P450 17 from rat testicular microsomes


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%