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Found 109 hits of Enz. Inhib. data with enzyme = 'Cytochrome P450 17A1' and Substrate = 'BDBM8903'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM8913
PNG
(3-(1-Chloro-7-methoxy-2-naphthyl)pyridine | 3-(1-c...)
Show SMILES COc1ccc2ccc(-c3cccnc3)c(Cl)c2c1
Show InChI InChI=1S/C16H12ClNO/c1-19-13-6-4-11-5-7-14(16(17)15(11)9-13)12-3-2-8-18-10-12/h2-10H,1H3
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n/an/a 27n/an/an/an/an/an/a



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 48: 6632-42 (2005)


Article DOI: 10.1021/jm0503704
BindingDB Entry DOI: 10.7270/Q2H41PNT
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM25457
PNG
(2-fluoro-4-[5-(pyridin-4-yl)-5,6,7,8-tetrahydronap...)
Show SMILES Oc1ccc(cc1F)-c1ccc2C(CCCc2c1)c1ccncc1
Show InChI InChI=1S/C21H18FNO/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/h4-13,18,24H,1-3H2
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n/an/a 64n/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))
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/an/an/a



University of Bari



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 47: 6792-803 (2004)


Article DOI: 10.1021/jm049535j
BindingDB Entry DOI: 10.7270/Q2MS3R0C
More data for this
Ligand-Target Pair
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))
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))
BDBM25456
PNG
(4-[5-(pyridin-4-yl)-5,6,7,8-tetrahydronaphthalen-2...)
Show SMILES Oc1ccc(cc1O)-c1ccc2C(CCCc2c1)c1ccncc1
Show InChI InChI=1S/C21H19NO2/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/h4-13,18,23-24H,1-3H2
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n/an/a 144n/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))
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))
BDBM8912
PNG
(3-(1,5-Dichloro-6-methoxy-2-naphthyl)pyridine | 3-...)
Show SMILES COc1ccc2c(Cl)c(ccc2c1Cl)-c1cccnc1
Show InChI InChI=1S/C16H11Cl2NO/c1-20-14-7-6-12-13(16(14)18)5-4-11(15(12)17)10-3-2-8-19-9-10/h2-9H,1H3
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n/an/a 233n/an/an/an/an/an/a



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 48: 6632-42 (2005)


Article DOI: 10.1021/jm0503704
BindingDB Entry DOI: 10.7270/Q2H41PNT
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))
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))
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))
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))
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))
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))
BDBM8905
PNG
(3-(6-Methoxy-2-naphthyl)pyridine | 3-(6-methoxynap...)
Show SMILES COc1ccc2cc(ccc2c1)-c1cccnc1
Show InChI InChI=1S/C16H13NO/c1-18-16-7-6-12-9-13(4-5-14(12)10-16)15-3-2-8-17-11-15/h2-11H,1H3
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n/an/a 667n/an/an/an/an/an/a



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 48: 6632-42 (2005)


Article DOI: 10.1021/jm0503704
BindingDB Entry DOI: 10.7270/Q2H41PNT
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM8909
PNG
(6-(pyridin-3-yl)naphthalene-2-carbonitrile | 6-Pyr...)
Show SMILES N#Cc1ccc2cc(ccc2c1)-c1cccnc1
Show InChI InChI=1S/C16H10N2/c17-10-12-3-4-14-9-15(6-5-13(14)8-12)16-2-1-7-18-11-16/h1-9,11H
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n/an/a 686n/an/an/an/an/an/a



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 48: 6632-42 (2005)


Article DOI: 10.1021/jm0503704
BindingDB Entry DOI: 10.7270/Q2H41PNT
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM8892
PNG
(3-(1-Methyl-3,4-dihydronaphthalen-2-yl)-pyridine |...)
Show SMILES CC1=C(CCc2ccccc12)c1cccnc1
Show InChI InChI=1S/C16H15N/c1-12-15-7-3-2-5-13(15)8-9-16(12)14-6-4-10-17-11-14/h2-7,10-11H,8-9H2,1H3
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n/an/a 1.09E+3n/an/an/an/an/an/a



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...


Pharmacol Rev 49: 2222-31 (2006)


Article DOI: 10.1021/jm060055x
BindingDB Entry DOI: 10.7270/Q2MW2FBS
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))
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
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))
BDBM8610
PNG
(1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...)
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-/m0/s1
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n/an/a 2.78E+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))
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))
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))
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))
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))
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))
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))
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))
BDBM8871
PNG
(5-[(1E)-1,2,3,4-tetrahydronaphthalen-1-ylidenemeth...)
Show SMILES C1CC(=Cc2cnc[nH]2)c2ccccc2C1
Show InChI InChI=1S/C14H14N2/c1-2-7-14-11(4-1)5-3-6-12(14)8-13-9-15-10-16-13/h1-2,4,7-10H,3,5-6H2,(H,15,16)
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n/an/an/an/an/an/an/an/an/a



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 48: 1796-805 (2005)


Article DOI: 10.1021/jm049600p
BindingDB Entry DOI: 10.7270/Q2RN362H
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM8871
PNG
(5-[(1E)-1,2,3,4-tetrahydronaphthalen-1-ylidenemeth...)
Show SMILES C1CC(=Cc2cnc[nH]2)c2ccccc2C1
Show InChI InChI=1S/C14H14N2/c1-2-7-14-11(4-1)5-3-6-12(14)8-13-9-15-10-16-13/h1-2,4,7-10H,3,5-6H2,(H,15,16)
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n/an/an/an/an/an/an/an/an/a



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 48: 1796-805 (2005)


Article DOI: 10.1021/jm049600p
BindingDB Entry DOI: 10.7270/Q2RN362H
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM8873
PNG
(5-[(1E)-2,3-dihydro-1H-inden-1-ylidenemethyl]-1H-i...)
Show SMILES C1Cc2ccccc2C1=Cc1cnc[nH]1
Show InChI InChI=1S/C13H12N2/c1-2-4-13-10(3-1)5-6-11(13)7-12-8-14-9-15-12/h1-4,7-9H,5-6H2,(H,14,15)
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n/an/an/an/an/an/an/an/an/a



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 48: 1796-805 (2005)


Article DOI: 10.1021/jm049600p
BindingDB Entry DOI: 10.7270/Q2RN362H
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM8873
PNG
(5-[(1E)-2,3-dihydro-1H-inden-1-ylidenemethyl]-1H-i...)
Show SMILES C1Cc2ccccc2C1=Cc1cnc[nH]1
Show InChI InChI=1S/C13H12N2/c1-2-4-13-10(3-1)5-6-11(13)7-12-8-14-9-15-12/h1-4,7-9H,5-6H2,(H,14,15)
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n/an/an/an/an/an/an/an/an/a



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 48: 1796-805 (2005)


Article DOI: 10.1021/jm049600p
BindingDB Entry DOI: 10.7270/Q2RN362H
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM8886
PNG
((8E)-8-(1H-Imidazol-5-ylmethylene)-5,6,7,8-tetrahy...)
Show SMILES N#Cc1ccc2CCCC(=Cc3cnc[nH]3)c2c1
Show InChI InChI=1S/C15H13N3/c16-8-11-4-5-12-2-1-3-13(15(12)6-11)7-14-9-17-10-18-14/h4-7,9-10H,1-3H2,(H,17,18)
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n/an/an/an/an/an/an/an/an/a



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 48: 1796-805 (2005)


Article DOI: 10.1021/jm049600p
BindingDB Entry DOI: 10.7270/Q2RN362H
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM8886
PNG
((8E)-8-(1H-Imidazol-5-ylmethylene)-5,6,7,8-tetrahy...)
Show SMILES N#Cc1ccc2CCCC(=Cc3cnc[nH]3)c2c1
Show InChI InChI=1S/C15H13N3/c16-8-11-4-5-12-2-1-3-13(15(12)6-11)7-14-9-17-10-18-14/h4-7,9-10H,1-3H2,(H,17,18)
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n/an/an/an/an/an/an/an/an/a



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 48: 1796-805 (2005)


Article DOI: 10.1021/jm049600p
BindingDB Entry DOI: 10.7270/Q2RN362H
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM8875
PNG
((5Z)-5-(1H-Imidazol-5-ylmethylene)-5,6,7,8-tetrahy...)
Show SMILES N#Cc1ccc2C(CCCc2c1)=Cc1cnc[nH]1
Show InChI InChI=1S/C15H13N3/c16-8-11-4-5-15-12(6-11)2-1-3-13(15)7-14-9-17-10-18-14/h4-7,9-10H,1-3H2,(H,17,18)
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n/an/an/an/an/an/an/an/an/a



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 48: 1796-805 (2005)


Article DOI: 10.1021/jm049600p
BindingDB Entry DOI: 10.7270/Q2RN362H
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM8876
PNG
((1E)-1-(1H-Imidazol-5-ylmethylene)indane-5-carboni...)
Show SMILES N#Cc1ccc2C(CCc2c1)=Cc1cnc[nH]1
Show InChI InChI=1S/C14H11N3/c15-7-10-1-4-14-11(5-10)2-3-12(14)6-13-8-16-9-17-13/h1,4-6,8-9H,2-3H2,(H,16,17)
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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 48: 1796-805 (2005)


Article DOI: 10.1021/jm049600p
BindingDB Entry DOI: 10.7270/Q2RN362H
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM8876
PNG
((1E)-1-(1H-Imidazol-5-ylmethylene)indane-5-carboni...)
Show SMILES N#Cc1ccc2C(CCc2c1)=Cc1cnc[nH]1
Show InChI InChI=1S/C14H11N3/c15-7-10-1-4-14-11(5-10)2-3-12(14)6-13-8-16-9-17-13/h1,4-6,8-9H,2-3H2,(H,16,17)
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n/an/an/an/an/an/an/an/an/a



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 48: 1796-805 (2005)


Article DOI: 10.1021/jm049600p
BindingDB Entry DOI: 10.7270/Q2RN362H
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM8878
PNG
(5-[(E)-(7-Chloro-3,4-dihydronaphthalen-1(2H)-ylide...)
Show SMILES Clc1ccc2CCCC(=Cc3cnc[nH]3)c2c1
Show InChI InChI=1S/C14H13ClN2/c15-12-5-4-10-2-1-3-11(14(10)7-12)6-13-8-16-9-17-13/h4-9H,1-3H2,(H,16,17)
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n/an/an/an/an/an/an/an/an/a



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 48: 1796-805 (2005)


Article DOI: 10.1021/jm049600p
BindingDB Entry DOI: 10.7270/Q2RN362H
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM8879
PNG
(5-[(E)-(5-Fluoro-2,3-dihydro-1H-inden-1-ylidene)me...)
Show SMILES Fc1ccc2C(CCc2c1)=Cc1cnc[nH]1
Show InChI InChI=1S/C13H11FN2/c14-11-3-4-13-9(5-11)1-2-10(13)6-12-7-15-8-16-12/h3-8H,1-2H2,(H,15,16)
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n/an/an/an/an/an/an/an/an/a



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 48: 1796-805 (2005)


Article DOI: 10.1021/jm049600p
BindingDB Entry DOI: 10.7270/Q2RN362H
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM8879
PNG
(5-[(E)-(5-Fluoro-2,3-dihydro-1H-inden-1-ylidene)me...)
Show SMILES Fc1ccc2C(CCc2c1)=Cc1cnc[nH]1
Show InChI InChI=1S/C13H11FN2/c14-11-3-4-13-9(5-11)1-2-10(13)6-12-7-15-8-16-12/h3-8H,1-2H2,(H,15,16)
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n/an/an/an/an/an/an/an/an/a



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 48: 1796-805 (2005)


Article DOI: 10.1021/jm049600p
BindingDB Entry DOI: 10.7270/Q2RN362H
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM8881
PNG
(5-[(E)-(5-Chloro-2,3-dihydro-1H-inden-1-ylidene)me...)
Show SMILES Clc1ccc2C(CCc2c1)=Cc1cnc[nH]1
Show InChI InChI=1S/C13H11ClN2/c14-11-3-4-13-9(5-11)1-2-10(13)6-12-7-15-8-16-12/h3-8H,1-2H2,(H,15,16)
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n/an/an/an/an/an/an/an/an/a



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 48: 1796-805 (2005)


Article DOI: 10.1021/jm049600p
BindingDB Entry DOI: 10.7270/Q2RN362H
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM8881
PNG
(5-[(E)-(5-Chloro-2,3-dihydro-1H-inden-1-ylidene)me...)
Show SMILES Clc1ccc2C(CCc2c1)=Cc1cnc[nH]1
Show InChI InChI=1S/C13H11ClN2/c14-11-3-4-13-9(5-11)1-2-10(13)6-12-7-15-8-16-12/h3-8H,1-2H2,(H,15,16)
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n/an/an/an/an/an/an/an/an/a



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 48: 1796-805 (2005)


Article DOI: 10.1021/jm049600p
BindingDB Entry DOI: 10.7270/Q2RN362H
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM8883
PNG
(5-[(E)-(5-Bromo-2,3-dihydro-1H-inden-1-ylidene)met...)
Show SMILES Brc1ccc2C(CCc2c1)=Cc1cnc[nH]1
Show InChI InChI=1S/C13H11BrN2/c14-11-3-4-13-9(5-11)1-2-10(13)6-12-7-15-8-16-12/h3-8H,1-2H2,(H,15,16)
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n/an/an/an/an/an/an/an/an/a



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 48: 1796-805 (2005)


Article DOI: 10.1021/jm049600p
BindingDB Entry DOI: 10.7270/Q2RN362H
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM8883
PNG
(5-[(E)-(5-Bromo-2,3-dihydro-1H-inden-1-ylidene)met...)
Show SMILES Brc1ccc2C(CCc2c1)=Cc1cnc[nH]1
Show InChI InChI=1S/C13H11BrN2/c14-11-3-4-13-9(5-11)1-2-10(13)6-12-7-15-8-16-12/h3-8H,1-2H2,(H,15,16)
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n/an/an/an/an/an/an/an/an/a



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 48: 1796-805 (2005)


Article DOI: 10.1021/jm049600p
BindingDB Entry DOI: 10.7270/Q2RN362H
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM8611
PNG
(4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...)
Show SMILES N#Cc1ccc(cc1)C1CCCc2cncn12
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
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n/an/an/an/an/an/an/an/an/a



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 48: 1796-805 (2005)


Article DOI: 10.1021/jm049600p
BindingDB Entry DOI: 10.7270/Q2RN362H
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM8610
PNG
(1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...)
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-/m0/s1
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n/an/an/an/an/an/an/an/an/a



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 48: 1796-805 (2005)


Article DOI: 10.1021/jm049600p
BindingDB Entry DOI: 10.7270/Q2RN362H
More data for this
Ligand-Target Pair
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