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Compile Data Set for Download or QSAR

Found 54 hits of ph data with Target = 'Cytochrome P450 17A1'   
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
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM8933
PNG
((2E)-2-(1H-imidazol-5-ylmethylidene)-6-methoxy-1,2...)
Show SMILES COc1ccc2C(=O)C(CCc2c1)=Cc1cnc[nH]1
Show InChI InChI=1S/C15H14N2O2/c1-19-13-4-5-14-10(7-13)2-3-11(15(14)18)6-12-8-16-9-17-12/h4-9H,2-3H2,1H3,(H,16,17)
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n/an/an/an/an/an/an/a7.437



Saarland University



Assay Description
The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...


J Enzyme Inhib Med Chem 19: 17-32 (2004)


Article DOI: 10.1080/14756360310001640913
BindingDB Entry DOI: 10.7270/Q2CF9N9T
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 72n/an/an/an/a7.437



Saarland University



Assay Description
The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...


J Med Chem 51: 5009-18 (2008)


Article DOI: 10.1021/jm800355c
BindingDB Entry DOI: 10.7270/Q2TB156N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM8935
PNG
(5-[(6-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)...)
Show SMILES COc1ccc2C(C)=C(Cc3cnc[nH]3)CCc2c1
Show InChI InChI=1S/C16H18N2O/c1-11-12(7-14-9-17-10-18-14)3-4-13-8-15(19-2)5-6-16(11)13/h5-6,8-10H,3-4,7H2,1-2H3,(H,17,18)
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n/an/a 110n/an/an/an/a7.437



Saarland University



Assay Description
The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...


J Enzyme Inhib Med Chem 19: 17-32 (2004)


Article DOI: 10.1080/14756360310001640913
BindingDB Entry DOI: 10.7270/Q2CF9N9T
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM8936
PNG
(6-(1H-imidazol-5-ylmethyl)-5-methyl-7,8-dihydronap...)
Show SMILES CC1=C(Cc2cnc[nH]2)CCc2cc(O)ccc12
Show InChI InChI=1S/C15H16N2O/c1-10-11(6-13-8-16-9-17-13)2-3-12-7-14(18)4-5-15(10)12/h4-5,7-9,18H,2-3,6H2,1H3,(H,16,17)
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n/an/an/an/an/an/an/a7.437



Saarland University



Assay Description
The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...


J Enzyme Inhib Med Chem 19: 17-32 (2004)


Article DOI: 10.1080/14756360310001640913
BindingDB Entry DOI: 10.7270/Q2CF9N9T
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM8937
PNG
(7-(1H-imidazol-5-ylmethyl)-3-methoxy-8-methyl-5,6-...)
Show SMILES COc1cc2CCC(Cc3cnc[nH]3)=C(C)c2cc1O
Show InChI InChI=1S/C16H18N2O2/c1-10-11(5-13-8-17-9-18-13)3-4-12-6-16(20-2)15(19)7-14(10)12/h6-9,19H,3-5H2,1-2H3,(H,17,18)
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n/an/a 1.10E+3n/an/an/an/a7.437



Saarland University



Assay Description
The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...


J Enzyme Inhib Med Chem 19: 17-32 (2004)


Article DOI: 10.1080/14756360310001640913
BindingDB Entry DOI: 10.7270/Q2CF9N9T
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM8938
PNG
(7-(1H-Imidazol-5-ylmethyl)-8-methyl-5,6-dihydro-na...)
Show SMILES CC1=C(Cc2cnc[nH]2)CCc2cc(O)c(O)cc12
Show InChI InChI=1S/C15H16N2O2/c1-9-10(4-12-7-16-8-17-12)2-3-11-5-14(18)15(19)6-13(9)11/h5-8,18-19H,2-4H2,1H3,(H,16,17)
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n/an/an/an/an/an/an/a7.437



Saarland University



Assay Description
The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...


J Enzyme Inhib Med Chem 19: 17-32 (2004)


Article DOI: 10.1080/14756360310001640913
BindingDB Entry DOI: 10.7270/Q2CF9N9T
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM8939
PNG
(4-(5-Methoxy-7b-methyl-3,7b-dihydro-2H-1-oxa-cyclo...)
Show SMILES COc1ccc2c(CCC3(Cc4cnc[nH]4)OC23C)c1
Show InChI InChI=1S/C16H18N2O2/c1-15-14-4-3-13(19-2)7-11(14)5-6-16(15,20-15)8-12-9-17-10-18-12/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,17,18)
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n/an/an/an/an/an/an/a7.437



Saarland University



Assay Description
The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...


J Enzyme Inhib Med Chem 19: 17-32 (2004)


Article DOI: 10.1080/14756360310001640913
BindingDB Entry DOI: 10.7270/Q2CF9N9T
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM8940
PNG
(6-(1H-imidazol-5-ylmethyl)-5-methylnaphthalen-2-ol...)
Show SMILES Cc1c(Cc2cnc[nH]2)ccc2cc(O)ccc12
Show InChI InChI=1S/C15H14N2O/c1-10-11(6-13-8-16-9-17-13)2-3-12-7-14(18)4-5-15(10)12/h2-5,7-9,18H,6H2,1H3,(H,16,17)
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n/an/an/an/an/an/an/a7.437



Saarland University



Assay Description
The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...


J Enzyme Inhib Med Chem 19: 17-32 (2004)


Article DOI: 10.1080/14756360310001640913
BindingDB Entry DOI: 10.7270/Q2CF9N9T
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM8941
PNG
((2E)-6-hydroxy-2-(1H-imidazol-5-ylmethylidene)-1,2...)
Show SMILES Oc1ccc2C(=O)C(CCc2c1)=Cc1cnc[nH]1
Show InChI InChI=1S/C14H12N2O2/c17-12-3-4-13-9(6-12)1-2-10(14(13)18)5-11-7-15-8-16-11/h3-8,17H,1-2H2,(H,15,16)
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n/an/an/an/an/an/an/a7.437



Saarland University



Assay Description
The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...


J Enzyme Inhib Med Chem 19: 17-32 (2004)


Article DOI: 10.1080/14756360310001640913
BindingDB Entry DOI: 10.7270/Q2CF9N9T
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM8942
PNG
((2E)-2-(1H-imidazol-5-ylmethylidene)-6,7-dimethoxy...)
Show SMILES COc1cc2CCC(=Cc3cnc[nH]3)C(=O)c2cc1OC
Show InChI InChI=1S/C16H16N2O3/c1-20-14-6-10-3-4-11(5-12-8-17-9-18-12)16(19)13(10)7-15(14)21-2/h5-9H,3-4H2,1-2H3,(H,17,18)
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n/an/an/an/an/an/an/a7.437



Saarland University



Assay Description
The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...


J Enzyme Inhib Med Chem 19: 17-32 (2004)


Article DOI: 10.1080/14756360310001640913
BindingDB Entry DOI: 10.7270/Q2CF9N9T
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM8943
PNG
((2E)-7-hydroxy-2-(1H-imidazol-5-ylmethylidene)-6-m...)
Show SMILES COc1cc2CCC(=Cc3cnc[nH]3)C(=O)c2cc1O
Show InChI InChI=1S/C15H14N2O3/c1-20-14-5-9-2-3-10(4-11-7-16-8-17-11)15(19)12(9)6-13(14)18/h4-8,18H,2-3H2,1H3,(H,16,17)
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n/an/an/an/an/an/an/a7.437



Saarland University



Assay Description
The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...


J Enzyme Inhib Med Chem 19: 17-32 (2004)


Article DOI: 10.1080/14756360310001640913
BindingDB Entry DOI: 10.7270/Q2CF9N9T
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM8944
PNG
(2-(1H-Imidazol-5-ylmethyl)-6,7-dimethoxy-3,4-dihyd...)
Show SMILES COc1cc2CCC(Cc3cnc[nH]3)C(=O)c2cc1OC
Show InChI InChI=1S/C16H18N2O3/c1-20-14-6-10-3-4-11(5-12-8-17-9-18-12)16(19)13(10)7-15(14)21-2/h6-9,11H,3-5H2,1-2H3,(H,17,18)
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n/an/an/an/an/an/an/a7.437



Saarland University



Assay Description
The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...


J Enzyme Inhib Med Chem 19: 17-32 (2004)


Article DOI: 10.1080/14756360310001640913
BindingDB Entry DOI: 10.7270/Q2CF9N9T
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM8945
PNG
(7-Hydroxy-2-(1H-imidazol-5-ylmethyl)-6-methoxy-3,4...)
Show SMILES COc1cc2CCC(Cc3cnc[nH]3)C(=O)c2cc1O
Show InChI InChI=1S/C15H16N2O3/c1-20-14-5-9-2-3-10(4-11-7-16-8-17-11)15(19)12(9)6-13(14)18/h5-8,10,18H,2-4H2,1H3,(H,16,17)
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n/an/an/an/an/an/an/a7.437



Saarland University



Assay Description
The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...


J Enzyme Inhib Med Chem 19: 17-32 (2004)


Article DOI: 10.1080/14756360310001640913
BindingDB Entry DOI: 10.7270/Q2CF9N9T
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM8946
PNG
(3,4-Dihydro-2-(5-imidazolyl)-6,7-dimethoxy-1-methy...)
Show SMILES COc1cc2CCC(Cc3cnc[nH]3)=C(C)c2cc1OC
Show InChI InChI=1S/C17H20N2O2/c1-11-12(6-14-9-18-10-19-14)4-5-13-7-16(20-2)17(21-3)8-15(11)13/h7-10H,4-6H2,1-3H3,(H,18,19)
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n/an/a 490n/an/an/an/a7.437



Saarland University



Assay Description
The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...


J Enzyme Inhib Med Chem 19: 17-32 (2004)


Article DOI: 10.1080/14756360310001640913
BindingDB Entry DOI: 10.7270/Q2CF9N9T
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM8947
PNG
(6,7-Dihydroxy-2-(1H-imidazol-5-ylmethyl)-3,4-dihyd...)
Show SMILES Oc1cc2CCC(Cc3cnc[nH]3)C(=O)c2cc1O
Show InChI InChI=1S/C14H14N2O3/c17-12-4-8-1-2-9(3-10-6-15-7-16-10)14(19)11(8)5-13(12)18/h4-7,9,17-18H,1-3H2,(H,15,16)
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n/an/an/an/an/an/an/a7.437



Saarland University



Assay Description
The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...


J Enzyme Inhib Med Chem 19: 17-32 (2004)


Article DOI: 10.1080/14756360310001640913
BindingDB Entry DOI: 10.7270/Q2CF9N9T
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM8948
PNG
(1-{[4-(3-methoxyphenyl)phenyl]methyl}-1H-imidazole...)
Show SMILES COc1cccc(c1)-c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C17H16N2O/c1-20-17-4-2-3-16(11-17)15-7-5-14(6-8-15)12-19-10-9-18-13-19/h2-11,13H,12H2,1H3
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n/an/an/an/an/an/an/a7.437



Saarland University



Assay Description
The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...


J Enzyme Inhib Med Chem 19: 17-32 (2004)


Article DOI: 10.1080/14756360310001640913
BindingDB Entry DOI: 10.7270/Q2CF9N9T
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM8949
PNG
(3-[4-(1H-imidazol-1-ylmethyl)phenyl]phenol | BW95 ...)
Show SMILES Oc1cccc(c1)-c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C16H14N2O/c19-16-3-1-2-15(10-16)14-6-4-13(5-7-14)11-18-9-8-17-12-18/h1-10,12,19H,11H2
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n/an/an/an/an/an/an/a7.437



Saarland University



Assay Description
The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...


J Enzyme Inhib Med Chem 19: 17-32 (2004)


Article DOI: 10.1080/14756360310001640913
BindingDB Entry DOI: 10.7270/Q2CF9N9T
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM8950
PNG
(2-[4-(1H-imidazol-1-ylmethyl)phenyl]benzene-1,4-di...)
Show SMILES Oc1ccc(O)c(c1)-c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C16H14N2O2/c19-14-5-6-16(20)15(9-14)13-3-1-12(2-4-13)10-18-8-7-17-11-18/h1-9,11,19-20H,10H2
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n/an/an/an/an/an/an/a7.437



Saarland University



Assay Description
The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...


J Enzyme Inhib Med Chem 19: 17-32 (2004)


Article DOI: 10.1080/14756360310001640913
BindingDB Entry DOI: 10.7270/Q2CF9N9T
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM8951
PNG
(4-Imidazol-1-ylmethyl-biphenyl-3,4-diol | 4-[4-(1H...)
Show SMILES Oc1ccc(cc1O)-c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C16H14N2O2/c19-15-6-5-14(9-16(15)20)13-3-1-12(2-4-13)10-18-8-7-17-11-18/h1-9,11,19-20H,10H2
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n/an/a 120n/an/an/an/a7.437



Saarland University



Assay Description
The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...


J Enzyme Inhib Med Chem 19: 17-32 (2004)


Article DOI: 10.1080/14756360310001640913
BindingDB Entry DOI: 10.7270/Q2CF9N9T
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM8952
PNG
(4-Imidazol-1-ylmethyl-biphenyl-2,3,4-triol | 4-[4-...)
Show SMILES Oc1ccc(c(O)c1O)-c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C16H14N2O3/c19-14-6-5-13(15(20)16(14)21)12-3-1-11(2-4-12)9-18-8-7-17-10-18/h1-8,10,19-21H,9H2
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n/an/an/an/an/an/an/a7.437



Saarland University



Assay Description
The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...


J Enzyme Inhib Med Chem 19: 17-32 (2004)


Article DOI: 10.1080/14756360310001640913
BindingDB Entry DOI: 10.7270/Q2CF9N9T
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM8953
PNG
(4-Imidazol-1-ylmethyl-biphenyl-3,4,5-triol | 5-[4-...)
Show SMILES Oc1cc(cc(O)c1O)-c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C16H14N2O3/c19-14-7-13(8-15(20)16(14)21)12-3-1-11(2-4-12)9-18-6-5-17-10-18/h1-8,10,19-21H,9H2
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n/an/an/an/an/an/an/a7.437



Saarland University



Assay Description
The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...


J Enzyme Inhib Med Chem 19: 17-32 (2004)


Article DOI: 10.1080/14756360310001640913
BindingDB Entry DOI: 10.7270/Q2CF9N9T
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM8954
PNG
(1-[(2,5-dimethoxy-1,1-biphenyl-4-yl)methyl]-1H-imi...)
Show SMILES COc1ccc(OC)c(c1)-c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C18H18N2O2/c1-21-16-7-8-18(22-2)17(11-16)15-5-3-14(4-6-15)12-20-10-9-19-13-20/h3-11,13H,12H2,1-2H3
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n/an/an/an/an/an/an/a7.437



Saarland University



Assay Description
The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...


J Enzyme Inhib Med Chem 19: 17-32 (2004)


Article DOI: 10.1080/14756360310001640913
BindingDB Entry DOI: 10.7270/Q2CF9N9T
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM8955
PNG
(1-[(3,4-dimethoxy-1,1-biphenyl-4-yl)methyl]-1H-imi...)
Show SMILES COc1ccc(cc1OC)-c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C18H18N2O2/c1-21-17-8-7-16(11-18(17)22-2)15-5-3-14(4-6-15)12-20-10-9-19-13-20/h3-11,13H,12H2,1-2H3
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n/an/an/an/an/an/an/a7.437



Saarland University



Assay Description
The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...


J Enzyme Inhib Med Chem 19: 17-32 (2004)


Article DOI: 10.1080/14756360310001640913
BindingDB Entry DOI: 10.7270/Q2CF9N9T
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM8956
PNG
(1-[(2,3,4-trimethoxy-1,1-biphenyl-4-yl)methyl]-1H-...)
Show SMILES COc1ccc(c(OC)c1OC)-c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C19H20N2O3/c1-22-17-9-8-16(18(23-2)19(17)24-3)15-6-4-14(5-7-15)12-21-11-10-20-13-21/h4-11,13H,12H2,1-3H3
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n/an/an/an/an/an/an/a7.437



Saarland University



Assay Description
The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...


J Enzyme Inhib Med Chem 19: 17-32 (2004)


Article DOI: 10.1080/14756360310001640913
BindingDB Entry DOI: 10.7270/Q2CF9N9T
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM8957
PNG
(1-[(3,4,5-trimethoxy-1,1-biphenyl-4-yl)methyl]-1H-...)
Show SMILES COc1cc(cc(OC)c1OC)-c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C19H20N2O3/c1-22-17-10-16(11-18(23-2)19(17)24-3)15-6-4-14(5-7-15)12-21-9-8-20-13-21/h4-11,13H,12H2,1-3H3
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n/an/an/an/an/an/an/a7.437



Saarland University



Assay Description
The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...


J Enzyme Inhib Med Chem 19: 17-32 (2004)


Article DOI: 10.1080/14756360310001640913
BindingDB Entry DOI: 10.7270/Q2CF9N9T
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM9914
PNG
(3-[(R)-1H-imidazol-1-yl(4-nitrophenyl)methyl]-4H-c...)
Show SMILES O=c1c(coc2ccccc12)[C@@H](c1ccc(cc1)N(=O)=O)n1ccnc1
Show InChI InChI=1S/C19H13N3O4/c23-19-15-3-1-2-4-17(15)26-11-16(19)18(21-10-9-20-12-21)13-5-7-14(8-6-13)22(24)25/h1-12,18H/t18-/m1/s1
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n/an/an/an/an/an/an/a7.437



University of Bologna



Assay Description
The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...


J Med Chem 48: 7282-9 (2005)


Article DOI: 10.1021/jm058042r
BindingDB Entry DOI: 10.7270/Q2JS9NN9
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM9915
PNG
(3-[(S)-1H-imidazol-1-yl(4-nitrophenyl)methyl]-4H-c...)
Show SMILES O=c1c(coc2ccccc12)[C@H](c1ccc(cc1)N(=O)=O)n1ccnc1
Show InChI InChI=1S/C19H13N3O4/c23-19-15-3-1-2-4-17(15)26-11-16(19)18(21-10-9-20-12-21)13-5-7-14(8-6-13)22(24)25/h1-12,18H/t18-/m0/s1
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n/an/an/an/an/an/an/a7.437



University of Bologna



Assay Description
The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...


J Med Chem 48: 7282-9 (2005)


Article DOI: 10.1021/jm058042r
BindingDB Entry DOI: 10.7270/Q2JS9NN9
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM9916
PNG
(3-[(R)-(4-bromophenyl)(1H-imidazol-1-yl)methyl]-4H...)
Show SMILES Brc1ccc(cc1)[C@H](c1coc2ccccc2c1=O)n1ccnc1
Show InChI InChI=1S/C19H13BrN2O2/c20-14-7-5-13(6-8-14)18(22-10-9-21-12-22)16-11-24-17-4-2-1-3-15(17)19(16)23/h1-12,18H/t18-/m1/s1
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n/an/an/an/an/an/an/a7.437



University of Bologna



Assay Description
The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...


J Med Chem 48: 7282-9 (2005)


Article DOI: 10.1021/jm058042r
BindingDB Entry DOI: 10.7270/Q2JS9NN9
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM9917
PNG
(3-[(S)-(4-bromophenyl)(1H-imidazol-1-yl)methyl]-4H...)
Show SMILES Brc1ccc(cc1)[C@@H](c1coc2ccccc2c1=O)n1ccnc1
Show InChI InChI=1S/C19H13BrN2O2/c20-14-7-5-13(6-8-14)18(22-10-9-21-12-22)16-11-24-17-4-2-1-3-15(17)19(16)23/h1-12,18H/t18-/m0/s1
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n/an/an/an/an/an/an/a7.437



University of Bologna



Assay Description
The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...


J Med Chem 48: 7282-9 (2005)


Article DOI: 10.1021/jm058042r
BindingDB Entry DOI: 10.7270/Q2JS9NN9
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM9918
PNG
(4-[(R)-1H-imidazol-1-yl(4-oxo-4H-chromen-3-yl)meth...)
Show SMILES O=c1c(coc2ccccc12)[C@@H](c1ccc(cc1)C#N)n1ccnc1
Show InChI InChI=1S/C20H13N3O2/c21-11-14-5-7-15(8-6-14)19(23-10-9-22-13-23)17-12-25-18-4-2-1-3-16(18)20(17)24/h1-10,12-13,19H/t19-/m1/s1
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n/an/an/an/an/an/an/a7.437



University of Bologna



Assay Description
The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...


J Med Chem 48: 7282-9 (2005)


Article DOI: 10.1021/jm058042r
BindingDB Entry DOI: 10.7270/Q2JS9NN9
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM9919
PNG
(4-[(S)-1H-imidazol-1-yl(4-oxo-4H-chromen-3-yl)meth...)
Show SMILES O=c1c(coc2ccccc12)[C@H](c1ccc(cc1)C#N)n1ccnc1
Show InChI InChI=1S/C20H13N3O2/c21-11-14-5-7-15(8-6-14)19(23-10-9-22-13-23)17-12-25-18-4-2-1-3-16(18)20(17)24/h1-10,12-13,19H/t19-/m0/s1
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n/an/an/an/an/an/an/a7.437



University of Bologna



Assay Description
The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...


J Med Chem 48: 7282-9 (2005)


Article DOI: 10.1021/jm058042r
BindingDB Entry DOI: 10.7270/Q2JS9NN9
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM9920
PNG
((S)Fadrozole | 4-[(5S)-5,6,7,8-tetrahydroimidazo[1...)
Show SMILES N#Cc1ccc(cc1)[C@@H]1CCCc2cncn12
Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2/t14-/m0/s1
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n/an/an/an/an/an/an/a7.437



University of Bologna



Assay Description
The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...


J Med Chem 48: 7282-9 (2005)


Article DOI: 10.1021/jm058042r
BindingDB Entry DOI: 10.7270/Q2JS9NN9
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM25438
PNG
(5-(4-fluorophenyl)-1-(pyridin-3-yl)-2,3-dihydro-1H...)
Show SMILES OC1(CCc2cc(ccc12)-c1ccc(F)cc1)c1cccnc1
Show InChI InChI=1S/C20H16FNO/c21-18-6-3-14(4-7-18)15-5-8-19-16(12-15)9-10-20(19,23)17-2-1-11-22-13-17/h1-8,11-13,23H,9-10H2
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n/an/a>2.00E+4n/an/an/an/a7.437



Saarland University



Assay Description
The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...


J Med Chem 51: 5009-18 (2008)


Article DOI: 10.1021/jm800355c
BindingDB Entry DOI: 10.7270/Q2TB156N
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM25439
PNG
(5-(4-fluorophenyl)-1-(pyridin-4-yl)-2,3-dihydro-1H...)
Show SMILES OC1(CCc2cc(ccc12)-c1ccc(F)cc1)c1ccncc1
Show InChI InChI=1S/C20H16FNO/c21-18-4-1-14(2-5-18)15-3-6-19-16(13-15)7-10-20(19,23)17-8-11-22-12-9-17/h1-6,8-9,11-13,23H,7,10H2
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n/an/a 333n/an/an/an/a7.437



Saarland University



Assay Description
The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...


J Med Chem 51: 5009-18 (2008)


Article DOI: 10.1021/jm800355c
BindingDB Entry DOI: 10.7270/Q2TB156N
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM25440
PNG
(5-(4-methoxyphenyl)-1-(pyridin-4-yl)-2,3-dihydro-1...)
Show SMILES COc1ccc(cc1)-c1ccc2c(CCC2(O)c2ccncc2)c1
Show InChI InChI=1S/C21H19NO2/c1-24-19-5-2-15(3-6-19)16-4-7-20-17(14-16)8-11-21(20,23)18-9-12-22-13-10-18/h2-7,9-10,12-14,23H,8,11H2,1H3
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n/an/a>2.00E+4n/an/an/an/a7.437



Saarland University



Assay Description
The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...


J Med Chem 51: 5009-18 (2008)


Article DOI: 10.1021/jm800355c
BindingDB Entry DOI: 10.7270/Q2TB156N
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM25441
PNG
(5-(3-fluoro-4-methoxyphenyl)-1-(pyridin-4-yl)-2,3-...)
Show SMILES COc1ccc(cc1F)-c1ccc2c(CCC2(O)c2ccncc2)c1
Show InChI InChI=1S/C21H18FNO2/c1-25-20-5-3-15(13-19(20)22)14-2-4-18-16(12-14)6-9-21(18,24)17-7-10-23-11-8-17/h2-5,7-8,10-13,24H,6,9H2,1H3
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n/an/a>1.00E+4n/an/an/an/a7.437



Saarland University



Assay Description
The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...


J Med Chem 51: 5009-18 (2008)


Article DOI: 10.1021/jm800355c
BindingDB Entry DOI: 10.7270/Q2TB156N
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM25442
PNG
(6-(4-fluorophenyl)-1-(pyridin-4-yl)-1,2,3,4-tetrah...)
Show SMILES OC1(CCCc2cc(ccc12)-c1ccc(F)cc1)c1ccncc1
Show InChI InChI=1S/C21H18FNO/c22-19-6-3-15(4-7-19)16-5-8-20-17(14-16)2-1-11-21(20,24)18-9-12-23-13-10-18/h3-10,12-14,24H,1-2,11H2
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n/an/a 587n/an/an/an/a7.437



Saarland University



Assay Description
The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...


J Med Chem 51: 5009-18 (2008)


Article DOI: 10.1021/jm800355c
BindingDB Entry DOI: 10.7270/Q2TB156N
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM25443
PNG
(6-(3,4-difluorophenyl)-1-(pyridin-4-yl)-1,2,3,4-te...)
Show SMILES OC1(CCCc2cc(ccc12)-c1ccc(F)c(F)c1)c1ccncc1
Show InChI InChI=1S/C21H17F2NO/c22-19-6-4-15(13-20(19)23)14-3-5-18-16(12-14)2-1-9-21(18,25)17-7-10-24-11-8-17/h3-8,10-13,25H,1-2,9H2
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n/an/a 423n/an/an/an/a7.437



Saarland University



Assay Description
The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...


J Med Chem 51: 5009-18 (2008)


Article DOI: 10.1021/jm800355c
BindingDB Entry DOI: 10.7270/Q2TB156N
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM25444
PNG
(6-(3-fluoro-4-methoxyphenyl)-1-(pyridin-4-yl)-1,2,...)
Show SMILES COc1ccc(cc1F)-c1ccc2c(CCCC2(O)c2ccncc2)c1
Show InChI InChI=1S/C22H20FNO2/c1-26-21-7-5-16(14-20(21)23)15-4-6-19-17(13-15)3-2-10-22(19,25)18-8-11-24-12-9-18/h4-9,11-14,25H,2-3,10H2,1H3
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n/an/a>5.00E+3n/an/an/an/a7.437



Saarland University



Assay Description
The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...


J Med Chem 51: 5009-18 (2008)


Article DOI: 10.1021/jm800355c
BindingDB Entry DOI: 10.7270/Q2TB156N
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM25445
PNG
(3-[6-(4-fluorophenyl)-1H-inden-3-yl]pyridine | Abi...)
Show SMILES Fc1ccc(cc1)-c1ccc2C(=CCc2c1)c1cccnc1
Show InChI InChI=1S/C20H14FN/c21-18-7-3-14(4-8-18)15-5-9-19-16(12-15)6-10-20(19)17-2-1-11-22-13-17/h1-5,7-13H,6H2
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n/an/a 2.35E+3n/an/an/an/a7.437



Saarland University



Assay Description
The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...


J Med Chem 51: 5009-18 (2008)


Article DOI: 10.1021/jm800355c
BindingDB Entry DOI: 10.7270/Q2TB156N
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM25446
PNG
(4-[6-(4-fluorophenyl)-1H-inden-3-yl]pyridine | Abi...)
Show SMILES Fc1ccc(cc1)-c1ccc2C(=CCc2c1)c1ccncc1
Show InChI InChI=1S/C20H14FN/c21-18-5-1-14(2-6-18)16-3-7-20-17(13-16)4-8-19(20)15-9-11-22-12-10-15/h1-3,5-13H,4H2
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n/an/a>2.00E+4n/an/an/an/a7.437



Saarland University



Assay Description
The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...


J Med Chem 51: 5009-18 (2008)


Article DOI: 10.1021/jm800355c
BindingDB Entry DOI: 10.7270/Q2TB156N
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM25447
PNG
(4-[6-(4-methoxyphenyl)-1H-inden-3-yl]pyridine | Ab...)
Show SMILES COc1ccc(cc1)-c1ccc2C(=CCc2c1)c1ccncc1
Show InChI InChI=1S/C21H17NO/c1-23-19-6-2-15(3-7-19)17-4-8-21-18(14-17)5-9-20(21)16-10-12-22-13-11-16/h2-4,6-14H,5H2,1H3
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n/an/a>5.00E+3n/an/an/an/a7.437



Saarland University



Assay Description
The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...


J Med Chem 51: 5009-18 (2008)


Article DOI: 10.1021/jm800355c
BindingDB Entry DOI: 10.7270/Q2TB156N
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM25448
PNG
(4-[6-(4-fluorophenyl)-3,4-dihydronaphthalen-1-yl]p...)
Show SMILES Fc1ccc(cc1)-c1ccc2C(=CCCc2c1)c1ccncc1
Show InChI InChI=1S/C21H16FN/c22-19-7-4-15(5-8-19)17-6-9-21-18(14-17)2-1-3-20(21)16-10-12-23-13-11-16/h3-14H,1-2H2
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n/an/a>5.00E+3n/an/an/an/a7.437



Saarland University



Assay Description
The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...


J Med Chem 51: 5009-18 (2008)


Article DOI: 10.1021/jm800355c
BindingDB Entry DOI: 10.7270/Q2TB156N
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM25449
PNG
(4-[6-(3,4-difluorophenyl)-3,4-dihydronaphthalen-1-...)
Show SMILES Fc1ccc(cc1F)-c1ccc2C(=CCCc2c1)c1ccncc1
Show InChI InChI=1S/C21H15F2N/c22-20-7-5-16(13-21(20)23)15-4-6-19-17(12-15)2-1-3-18(19)14-8-10-24-11-9-14/h3-13H,1-2H2
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n/an/a>5.00E+3n/an/an/an/a7.437



Saarland University



Assay Description
The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...


J Med Chem 51: 5009-18 (2008)


Article DOI: 10.1021/jm800355c
BindingDB Entry DOI: 10.7270/Q2TB156N
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM25450
PNG
(4-[5-(pyridin-4-yl)-7,8-dihydronaphthalen-2-yl]ben...)
Show SMILES Oc1ccc(cc1O)-c1ccc2C(=CCCc2c1)c1ccncc1
Show InChI InChI=1S/C21H17NO2/c23-20-7-5-16(13-21(20)24)15-4-6-19-17(12-15)2-1-3-18(19)14-8-10-22-11-9-14/h3-13,23-24H,1-2H2
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n/an/a 307n/an/an/an/a7.437



Saarland University



Assay Description
The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...


J Med Chem 51: 5009-18 (2008)


Article DOI: 10.1021/jm800355c
BindingDB Entry DOI: 10.7270/Q2TB156N
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM25451
PNG
(2-fluoro-4-[5-(pyridin-4-yl)-7,8-dihydronaphthalen...)
Show SMILES Oc1ccc(cc1F)-c1ccc2C(=CCCc2c1)c1ccncc1
Show InChI InChI=1S/C21H16FNO/c22-20-13-16(5-7-21(20)24)15-4-6-19-17(12-15)2-1-3-18(19)14-8-10-23-11-9-14/h3-13,24H,1-2H2
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n/an/a 188n/an/an/an/a7.437



Saarland University



Assay Description
The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...


J Med Chem 51: 5009-18 (2008)


Article DOI: 10.1021/jm800355c
BindingDB Entry DOI: 10.7270/Q2TB156N
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM25452
PNG
(3-[5-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]py...)
Show SMILES Fc1ccc(cc1)-c1ccc2C(CCc2c1)c1cccnc1
Show InChI InChI=1S/C20H16FN/c21-18-7-3-14(4-8-18)15-5-9-19-16(12-15)6-10-20(19)17-2-1-11-22-13-17/h1-5,7-9,11-13,20H,6,10H2
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n/an/a>2.00E+4n/an/an/an/a7.437



Saarland University



Assay Description
The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...


J Med Chem 51: 5009-18 (2008)


Article DOI: 10.1021/jm800355c
BindingDB Entry DOI: 10.7270/Q2TB156N
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM25453
PNG
(4-[5-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]py...)
Show SMILES Fc1ccc(cc1)-c1ccc2C(CCc2c1)c1ccncc1
Show InChI InChI=1S/C20H16FN/c21-18-5-1-14(2-6-18)16-3-7-20-17(13-16)4-8-19(20)15-9-11-22-12-10-15/h1-3,5-7,9-13,19H,4,8H2
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n/an/a 233n/an/an/an/a7.437



Saarland University



Assay Description
The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...


J Med Chem 51: 5009-18 (2008)


Article DOI: 10.1021/jm800355c
BindingDB Entry DOI: 10.7270/Q2TB156N
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM25454
PNG
(4-[6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen...)
Show SMILES Fc1ccc(cc1)-c1ccc2C(CCCc2c1)c1ccncc1
Show InChI InChI=1S/C21H18FN/c22-19-7-4-15(5-8-19)17-6-9-21-18(14-17)2-1-3-20(21)16-10-12-23-13-11-16/h4-14,20H,1-3H2
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n/an/a 163n/an/an/an/a7.437



Saarland University



Assay Description
The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...


J Med Chem 51: 5009-18 (2008)


Article DOI: 10.1021/jm800355c
BindingDB Entry DOI: 10.7270/Q2TB156N
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM25455
PNG
(4-[6-(3,4-difluorophenyl)-1,2,3,4-tetrahydronaphth...)
Show SMILES Fc1ccc(cc1F)-c1ccc2C(CCCc2c1)c1ccncc1
Show InChI InChI=1S/C21H17F2N/c22-20-7-5-16(13-21(20)23)15-4-6-19-17(12-15)2-1-3-18(19)14-8-10-24-11-9-14/h4-13,18H,1-3H2
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n/an/a 1.22E+3n/an/an/an/a7.437



Saarland University



Assay Description
The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...


J Med Chem 51: 5009-18 (2008)


Article DOI: 10.1021/jm800355c
BindingDB Entry DOI: 10.7270/Q2TB156N
More data for this
Ligand-Target Pair
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