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PubMed code 8863811

Compile data set for download or QSAR
Found 56 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/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50054203
PNG
(1-((3S,10R,13S)-3-Hydroxy-10,13-dimethyl-2,3,4,7,8...)
Show SMILES CC(N=O)C1=CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C21H31NO2/c1-13(22-24)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,6,13,15-16,18-19,23H,5,7-12H2,1-3H3/t13?,15-,16?,18?,19?,20-,21+/m0/s1
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n/an/a 16n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human testicular steroid 17-alpha-hydroxylase


J Med Chem 39: 4335-9 (1996)


Article DOI: 10.1021/jm960245f
BindingDB Entry DOI: 10.7270/Q2P84B07
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50054203
PNG
(1-((3S,10R,13S)-3-Hydroxy-10,13-dimethyl-2,3,4,7,8...)
Show SMILES CC(N=O)C1=CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C21H31NO2/c1-13(22-24)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,6,13,15-16,18-19,23H,5,7-12H2,1-3H3/t13?,15-,16?,18?,19?,20-,21+/m0/s1
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n/an/a 16n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human testicular steroid 17-alpha-hydroxylase


J Med Chem 39: 4335-9 (1996)


Article DOI: 10.1021/jm960245f
BindingDB Entry DOI: 10.7270/Q2P84B07
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50054191
PNG
((R)-2-((10R,13S)-10,13-Dimethyl-3-oxo-2,3,6,7,8,9,...)
Show SMILES C[C@@H](C=O)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C22H32O2/c1-14(13-23)18-6-7-19-17-5-4-15-12-16(24)8-10-21(15,2)20(17)9-11-22(18,19)3/h12-14,17-20H,4-11H2,1-3H3/t14-,17?,18?,19?,20?,21-,22+/m0/s1
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n/an/a 160n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human testicular 17-alpha-hydroxylase


J Med Chem 39: 4335-9 (1996)


Article DOI: 10.1021/jm960245f
BindingDB Entry DOI: 10.7270/Q2P84B07
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50054190
PNG
((3S,10R,13S)-17-((R)-1-Hydroxy-ethyl)-10,13-dimeth...)
Show SMILES C[C@@H](O)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,13,15-19,22-23H,5-12H2,1-3H3/t13-,15+,16?,17?,18?,19?,20+,21-/m1/s1
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n/an/a 180n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human testicular steroid 17-alpha-hydroxylase


J Med Chem 39: 4335-9 (1996)


Article DOI: 10.1021/jm960245f
BindingDB Entry DOI: 10.7270/Q2P84B07
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50054190
PNG
((3S,10R,13S)-17-((R)-1-Hydroxy-ethyl)-10,13-dimeth...)
Show SMILES C[C@@H](O)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,13,15-19,22-23H,5-12H2,1-3H3/t13-,15+,16?,17?,18?,19?,20+,21-/m1/s1
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n/an/a 180n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human testicular steroid 17-alpha-hydroxylase


J Med Chem 39: 4335-9 (1996)


Article DOI: 10.1021/jm960245f
BindingDB Entry DOI: 10.7270/Q2P84B07
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50054191
PNG
((R)-2-((10R,13S)-10,13-Dimethyl-3-oxo-2,3,6,7,8,9,...)
Show SMILES C[C@@H](C=O)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C22H32O2/c1-14(13-23)18-6-7-19-17-5-4-15-12-16(24)8-10-21(15,2)20(17)9-11-22(18,19)3/h12-14,17-20H,4-11H2,1-3H3/t14-,17?,18?,19?,20?,21-,22+/m0/s1
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n/an/a 230n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human testicular steroid 17-alpha-hydroxylase


J Med Chem 39: 4335-9 (1996)


Article DOI: 10.1021/jm960245f
BindingDB Entry DOI: 10.7270/Q2P84B07
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50407982
PNG
(CHEMBL2112758)
Show SMILES CN(C=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C21H33NO2/c1-20-10-8-15(24)12-14(20)4-5-16-17-6-7-19(22(3)13-23)21(17,2)11-9-18(16)20/h4,13,15-19,24H,5-12H2,1-3H3/t15-,16-,17-,18-,19-,20-,21-/m0/s1
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n/an/a 280n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human testicular 17-alpha-hydroxylase


J Med Chem 39: 4335-9 (1996)


Article DOI: 10.1021/jm960245f
BindingDB Entry DOI: 10.7270/Q2P84B07
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50407982
PNG
(CHEMBL2112758)
Show SMILES CN(C=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C21H33NO2/c1-20-10-8-15(24)12-14(20)4-5-16-17-6-7-19(22(3)13-23)21(17,2)11-9-18(16)20/h4,13,15-19,24H,5-12H2,1-3H3/t15-,16-,17-,18-,19-,20-,21-/m0/s1
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n/an/a 290n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human testicular steroid 17-alpha-hydroxylase


J Med Chem 39: 4335-9 (1996)


Article DOI: 10.1021/jm960245f
BindingDB Entry DOI: 10.7270/Q2P84B07
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50407983
PNG
(CHEMBL2112757)
Show SMILES CC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]21C
Show InChI InChI=1S/C21H30O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h4,14-18,23H,5-11H2,1-3H3/t14-,15+,16-,17-,18+,19-,20-,21+/m0/s1
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n/an/a 440n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human testicular steroid 17-alpha-hydroxylase


J Med Chem 39: 4335-9 (1996)


Article DOI: 10.1021/jm960245f
BindingDB Entry DOI: 10.7270/Q2P84B07
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50054186
PNG
((10R,13S)-17-((R)-1-Hydroxy-ethyl)-10,13-dimethyl-...)
Show SMILES C[C@@H](O)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12-13,16-19,22H,4-11H2,1-3H3/t13-,16?,17?,18?,19?,20+,21-/m1/s1
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n/an/a 490n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human testicular steroid 17-alpha-hydroxylase


J Med Chem 39: 4335-9 (1996)


Article DOI: 10.1021/jm960245f
BindingDB Entry DOI: 10.7270/Q2P84B07
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50054186
PNG
((10R,13S)-17-((R)-1-Hydroxy-ethyl)-10,13-dimethyl-...)
Show SMILES C[C@@H](O)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12-13,16-19,22H,4-11H2,1-3H3/t13-,16?,17?,18?,19?,20+,21-/m1/s1
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n/an/a 490n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human testicular steroid 17-alpha-hydroxylase


J Med Chem 39: 4335-9 (1996)


Article DOI: 10.1021/jm960245f
BindingDB Entry DOI: 10.7270/Q2P84B07
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50054199
PNG
(1-((3S,10R,13S)-3-Hydroxy-10,13-dimethyl-2,3,4,7,8...)
Show SMILES CC(=O)C1=CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,6,15-16,18-19,23H,5,7-12H2,1-3H3/t15-,16?,18?,19?,20-,21+/m0/s1
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n/an/a 510n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human testicular steroid 17-alpha-hydroxylase


J Med Chem 39: 4335-9 (1996)


Article DOI: 10.1021/jm960245f
BindingDB Entry DOI: 10.7270/Q2P84B07
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50054199
PNG
(1-((3S,10R,13S)-3-Hydroxy-10,13-dimethyl-2,3,4,7,8...)
Show SMILES CC(=O)C1=CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,6,15-16,18-19,23H,5,7-12H2,1-3H3/t15-,16?,18?,19?,20-,21+/m0/s1
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n/an/a 510n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human testicular steroid 17-alpha-hydroxylase


J Med Chem 39: 4335-9 (1996)


Article DOI: 10.1021/jm960245f
BindingDB Entry DOI: 10.7270/Q2P84B07
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50054212
PNG
(1-((3S,10R,13S)-3-Hydroxy-10,13-dimethyl-2,3,4,7,8...)
Show SMILES CC(N=O)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C21H33NO2/c1-13(22-24)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,13,15-19,23H,5-12H2,1-3H3/t13?,15-,16?,17?,18?,19?,20-,21+/m0/s1
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n/an/a 530n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human testicular steroid 17-alpha-hydroxylase


J Med Chem 39: 4335-9 (1996)


Article DOI: 10.1021/jm960245f
BindingDB Entry DOI: 10.7270/Q2P84B07
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50054212
PNG
(1-((3S,10R,13S)-3-Hydroxy-10,13-dimethyl-2,3,4,7,8...)
Show SMILES CC(N=O)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C21H33NO2/c1-13(22-24)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,13,15-19,23H,5-12H2,1-3H3/t13?,15-,16?,17?,18?,19?,20-,21+/m0/s1
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n/an/a 530n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human testicular steroid 17-alpha-hydroxylase


J Med Chem 39: 4335-9 (1996)


Article DOI: 10.1021/jm960245f
BindingDB Entry DOI: 10.7270/Q2P84B07
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50407983
PNG
(CHEMBL2112757)
Show SMILES CC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]21C
Show InChI InChI=1S/C21H30O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h4,14-18,23H,5-11H2,1-3H3/t14-,15+,16-,17-,18+,19-,20-,21+/m0/s1
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n/an/a 680n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human testicular 17-alpha-hydroxylase


J Med Chem 39: 4335-9 (1996)


Article DOI: 10.1021/jm960245f
BindingDB Entry DOI: 10.7270/Q2P84B07
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50054202
PNG
((3S,10R,13S)-17-(1-Hydroxy-ethyl)-10,13-dimethyl-2...)
Show SMILES CC(O)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,13,15-19,22-23H,5-12H2,1-3H3/t13?,15-,16?,17?,18?,19?,20-,21+/m0/s1
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n/an/a 720n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human testicular steroid 17-alpha-hydroxylase


J Med Chem 39: 4335-9 (1996)


Article DOI: 10.1021/jm960245f
BindingDB Entry DOI: 10.7270/Q2P84B07
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50054204
PNG
((3S,10R,13S)-10,13-Dimethyl-17-((R)-2-methyl-oxira...)
Show SMILES C[C@]1(CO1)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C22H34O2/c1-20-10-8-15(23)12-14(20)4-5-16-17-6-7-19(22(3)13-24-22)21(17,2)11-9-18(16)20/h4,15-19,23H,5-13H2,1-3H3/t15-,16?,17?,18?,19?,20-,21-,22-/m0/s1
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n/an/a 720n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human testicular 17-alpha-hydroxylase


J Med Chem 39: 4335-9 (1996)


Article DOI: 10.1021/jm960245f
BindingDB Entry DOI: 10.7270/Q2P84B07
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50054202
PNG
((3S,10R,13S)-17-(1-Hydroxy-ethyl)-10,13-dimethyl-2...)
Show SMILES CC(O)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,13,15-19,22-23H,5-12H2,1-3H3/t13?,15-,16?,17?,18?,19?,20-,21+/m0/s1
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n/an/a 720n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human testicular steroid 17-alpha-hydroxylase


J Med Chem 39: 4335-9 (1996)


Article DOI: 10.1021/jm960245f
BindingDB Entry DOI: 10.7270/Q2P84B07
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50054204
PNG
((3S,10R,13S)-10,13-Dimethyl-17-((R)-2-methyl-oxira...)
Show SMILES C[C@]1(CO1)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C22H34O2/c1-20-10-8-15(23)12-14(20)4-5-16-17-6-7-19(22(3)13-24-22)21(17,2)11-9-18(16)20/h4,15-19,23H,5-13H2,1-3H3/t15-,16?,17?,18?,19?,20-,21-,22-/m0/s1
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n/an/a 730n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human testicular steroid 17-alpha-hydroxylase


J Med Chem 39: 4335-9 (1996)


Article DOI: 10.1021/jm960245f
BindingDB Entry DOI: 10.7270/Q2P84B07
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50054188
PNG
(CHEMBL137507 | N-((10R,13S)-10,13-Dimethyl-3-oxo-2...)
Show SMILES CN(C=O)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C21H31NO2/c1-20-10-8-15(24)12-14(20)4-5-16-17-6-7-19(22(3)13-23)21(17,2)11-9-18(16)20/h12-13,16-19H,4-11H2,1-3H3/t16?,17?,18?,19?,20-,21-/m0/s1
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n/an/a 750n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human testicular 17-alpha-hydroxylase


J Med Chem 39: 4335-9 (1996)


Article DOI: 10.1021/jm960245f
BindingDB Entry DOI: 10.7270/Q2P84B07
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50407978
PNG
(CHEMBL2112759)
Show SMILES CC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]21C
Show InChI InChI=1S/C21H28O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h10,15-18H,4-9,11H2,1-3H3/t15-,16+,17+,18-,19+,20+,21-/m1/s1
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n/an/a 800n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human testicular 17-alpha-hydroxylase


J Med Chem 39: 4335-9 (1996)


Article DOI: 10.1021/jm960245f
BindingDB Entry DOI: 10.7270/Q2P84B07
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50054188
PNG
(CHEMBL137507 | N-((10R,13S)-10,13-Dimethyl-3-oxo-2...)
Show SMILES CN(C=O)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C21H31NO2/c1-20-10-8-15(24)12-14(20)4-5-16-17-6-7-19(22(3)13-23)21(17,2)11-9-18(16)20/h12-13,16-19H,4-11H2,1-3H3/t16?,17?,18?,19?,20-,21-/m0/s1
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n/an/a 800n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human testicular steroid 17-alpha-hydroxylase


J Med Chem 39: 4335-9 (1996)


Article DOI: 10.1021/jm960245f
BindingDB Entry DOI: 10.7270/Q2P84B07
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50407978
PNG
(CHEMBL2112759)
Show SMILES CC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]21C
Show InChI InChI=1S/C21H28O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h10,15-18H,4-9,11H2,1-3H3/t15-,16+,17+,18-,19+,20+,21-/m1/s1
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n/an/a 800n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human testicular 17-alpha-hydroxylase


J Med Chem 39: 4335-9 (1996)


Article DOI: 10.1021/jm960245f
BindingDB Entry DOI: 10.7270/Q2P84B07
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 860n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human testicular steroid 17-alpha-hydroxylase


J Med Chem 39: 4335-9 (1996)


Article DOI: 10.1021/jm960245f
BindingDB Entry DOI: 10.7270/Q2P84B07
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50054195
PNG
(2-((10R,13S)-10,13-Dimethyl-3-oxo-1,2,3,6,7,8,9,10...)
Show SMILES C\C(C#N)=C1\CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C22H29NO/c1-14(13-23)18-6-7-19-17-5-4-15-12-16(24)8-10-21(15,2)20(17)9-11-22(18,19)3/h12,17,19-20H,4-11H2,1-3H3/b18-14+/t17?,19?,20?,21-,22+/m0/s1
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n/an/a 890n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human testicular 17-alpha-hydroxylase


J Med Chem 39: 4335-9 (1996)


Article DOI: 10.1021/jm960245f
BindingDB Entry DOI: 10.7270/Q2P84B07
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 920n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human testicular 17-alpha-hydroxylase


J Med Chem 39: 4335-9 (1996)


Article DOI: 10.1021/jm960245f
BindingDB Entry DOI: 10.7270/Q2P84B07
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50407979
PNG
(CHEMBL2112755)
Show SMILES CC(=O)[C@@]1(Br)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C21H31BrO2/c1-13(23)21(22)11-8-18-16-5-4-14-12-15(24)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,24H,5-12H2,1-3H3/t15-,16+,17-,18-,19-,20-,21-/m0/s1
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n/an/a 970n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human testicular 17-alpha-hydroxylase


J Med Chem 39: 4335-9 (1996)


Article DOI: 10.1021/jm960245f
BindingDB Entry DOI: 10.7270/Q2P84B07
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50054197
PNG
((R)-2-((10R,13S)-10,13-Dimethyl-3-oxo-2,3,6,7,8,9,...)
Show SMILES C[C@@H](C#N)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C22H31NO/c1-14(13-23)18-6-7-19-17-5-4-15-12-16(24)8-10-21(15,2)20(17)9-11-22(18,19)3/h12,14,17-20H,4-11H2,1-3H3/t14-,17?,18?,19?,20?,21-,22+/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human testicular steroid 17-alpha-hydroxylase


J Med Chem 39: 4335-9 (1996)


Article DOI: 10.1021/jm960245f
BindingDB Entry DOI: 10.7270/Q2P84B07
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50054197
PNG
((R)-2-((10R,13S)-10,13-Dimethyl-3-oxo-2,3,6,7,8,9,...)
Show SMILES C[C@@H](C#N)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C22H31NO/c1-14(13-23)18-6-7-19-17-5-4-15-12-16(24)8-10-21(15,2)20(17)9-11-22(18,19)3/h12,14,17-20H,4-11H2,1-3H3/t14-,17?,18?,19?,20?,21-,22+/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human testicular steroid 17-alpha-hydroxylase


J Med Chem 39: 4335-9 (1996)


Article DOI: 10.1021/jm960245f
BindingDB Entry DOI: 10.7270/Q2P84B07
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50054195
PNG
(2-((10R,13S)-10,13-Dimethyl-3-oxo-1,2,3,6,7,8,9,10...)
Show SMILES C\C(C#N)=C1\CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C22H29NO/c1-14(13-23)18-6-7-19-17-5-4-15-12-16(24)8-10-21(15,2)20(17)9-11-22(18,19)3/h12,17,19-20H,4-11H2,1-3H3/b18-14+/t17?,19?,20?,21-,22+/m0/s1
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n/an/a 1.22E+3n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human testicular steroid 17-alpha-hydroxylase


J Med Chem 39: 4335-9 (1996)


Article DOI: 10.1021/jm960245f
BindingDB Entry DOI: 10.7270/Q2P84B07
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50407979
PNG
(CHEMBL2112755)
Show SMILES CC(=O)[C@@]1(Br)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C21H31BrO2/c1-13(23)21(22)11-8-18-16-5-4-14-12-15(24)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,24H,5-12H2,1-3H3/t15-,16+,17-,18-,19-,20-,21-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human testicular steroid 17-alpha-hydroxylase


J Med Chem 39: 4335-9 (1996)


Article DOI: 10.1021/jm960245f
BindingDB Entry DOI: 10.7270/Q2P84B07
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50407981
PNG
(CHEMBL2112756)
Show SMILES C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12-13,16-19,22H,4-11H2,1-3H3/t13-,16+,17-,18+,19+,20+,21-/m1/s1
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n/an/a 1.43E+3n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human testicular 17-alpha-hydroxylase


J Med Chem 39: 4335-9 (1996)


Article DOI: 10.1021/jm960245f
BindingDB Entry DOI: 10.7270/Q2P84B07
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50340426
PNG
(16-Dehydropregnenolone acetate | CHEMBL1761683)
Show SMILES CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC=C4C(C)=O)[C@@H]3CC=C2C1
Show InChI InChI=1S/C23H32O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,7,17-18,20-21H,6,8-13H2,1-4H3/t17-,18-,20-,21-,22-,23+/m0/s1
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n/an/a 1.71E+3n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human testicular 17-alpha-hydroxylase


J Med Chem 39: 4335-9 (1996)


Article DOI: 10.1021/jm960245f
BindingDB Entry DOI: 10.7270/Q2P84B07
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50054189
PNG
((10R,13S)-17-Acetyl-10,13-dimethyl-1,2,6,7,8,9,10,...)
Show SMILES CC(=O)C1=CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,12,16,18-19H,4-5,7-11H2,1-3H3/t16?,18?,19?,20-,21+/m0/s1
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n/an/a 1.77E+3n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human testicular steroid 17-alpha-hydroxylase


J Med Chem 39: 4335-9 (1996)


Article DOI: 10.1021/jm960245f
BindingDB Entry DOI: 10.7270/Q2P84B07
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50054189
PNG
((10R,13S)-17-Acetyl-10,13-dimethyl-1,2,6,7,8,9,10,...)
Show SMILES CC(=O)C1=CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,12,16,18-19H,4-5,7-11H2,1-3H3/t16?,18?,19?,20-,21+/m0/s1
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n/an/a 1.77E+3n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human testicular steroid 17-alpha-hydroxylase


J Med Chem 39: 4335-9 (1996)


Article DOI: 10.1021/jm960245f
BindingDB Entry DOI: 10.7270/Q2P84B07
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50340426
PNG
(16-Dehydropregnenolone acetate | CHEMBL1761683)
Show SMILES CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC=C4C(C)=O)[C@@H]3CC=C2C1
Show InChI InChI=1S/C23H32O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,7,17-18,20-21H,6,8-13H2,1-4H3/t17-,18-,20-,21-,22-,23+/m0/s1
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n/an/a 1.89E+3n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human testicular steroid 17-alpha-hydroxylase


J Med Chem 39: 4335-9 (1996)


Article DOI: 10.1021/jm960245f
BindingDB Entry DOI: 10.7270/Q2P84B07
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50407981
PNG
(CHEMBL2112756)
Show SMILES C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12-13,16-19,22H,4-11H2,1-3H3/t13-,16+,17-,18+,19+,20+,21-/m1/s1
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n/an/a 2.84E+3n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human testicular steroid 17-alpha-hydroxylase


J Med Chem 39: 4335-9 (1996)


Article DOI: 10.1021/jm960245f
BindingDB Entry DOI: 10.7270/Q2P84B07
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50054193
PNG
((3S,10R,13R)-10,13-Dimethyl-17-vinyl-2,3,4,7,8,9,1...)
Show SMILES C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CCC2C=C
Show InChI InChI=1S/C21H32O/c1-4-14-6-8-18-17-7-5-15-13-16(22)9-11-21(15,3)19(17)10-12-20(14,18)2/h4-5,14,16-19,22H,1,6-13H2,2-3H3/t14?,16-,17?,18?,19?,20+,21-/m0/s1
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n/an/a 2.88E+3n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human testicular steroid 17-alpha-hydroxylase


J Med Chem 39: 4335-9 (1996)


Article DOI: 10.1021/jm960245f
BindingDB Entry DOI: 10.7270/Q2P84B07
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50054193
PNG
((3S,10R,13R)-10,13-Dimethyl-17-vinyl-2,3,4,7,8,9,1...)
Show SMILES C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CCC2C=C
Show InChI InChI=1S/C21H32O/c1-4-14-6-8-18-17-7-5-15-13-16(22)9-11-21(15,3)19(17)10-12-20(14,18)2/h4-5,14,16-19,22H,1,6-13H2,2-3H3/t14?,16-,17?,18?,19?,20+,21-/m0/s1
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n/an/a 2.88E+3n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human testicular steroid 17-alpha-hydroxylase


J Med Chem 39: 4335-9 (1996)


Article DOI: 10.1021/jm960245f
BindingDB Entry DOI: 10.7270/Q2P84B07
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50054201
PNG
((3S,10R,13S)-17-Ethynyl-10,13-dimethyl-2,3,4,7,8,9...)
Show SMILES C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CCC2C#C
Show InChI InChI=1S/C21H30O/c1-4-14-6-8-18-17-7-5-15-13-16(22)9-11-21(15,3)19(17)10-12-20(14,18)2/h1,5,14,16-19,22H,6-13H2,2-3H3/t14?,16-,17?,18?,19?,20+,21-/m0/s1
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n/an/a 3.56E+3n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human testicular steroid 17-alpha-hydroxylase


J Med Chem 39: 4335-9 (1996)


Article DOI: 10.1021/jm960245f
BindingDB Entry DOI: 10.7270/Q2P84B07
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50054208
PNG
((3S,10R,13S)-17-Hydrazono-10,13-dimethyl-2,3,4,7,8...)
Show SMILES C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CCC2=NN
Show InChI InChI=1S/C19H30N2O/c1-18-9-7-13(22)11-12(18)3-4-14-15-5-6-17(21-20)19(15,2)10-8-16(14)18/h3,13-16,22H,4-11,20H2,1-2H3/t13-,14?,15?,16?,18-,19-/m0/s1
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n/an/a 3.78E+3n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human testicular 17-alpha-hydroxylase


J Med Chem 39: 4335-9 (1996)


Article DOI: 10.1021/jm960245f
BindingDB Entry DOI: 10.7270/Q2P84B07
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50054201
PNG
((3S,10R,13S)-17-Ethynyl-10,13-dimethyl-2,3,4,7,8,9...)
Show SMILES C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CCC2C#C
Show InChI InChI=1S/C21H30O/c1-4-14-6-8-18-17-7-5-15-13-16(22)9-11-21(15,3)19(17)10-12-20(14,18)2/h1,5,14,16-19,22H,6-13H2,2-3H3/t14?,16-,17?,18?,19?,20+,21-/m0/s1
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n/an/a 3.95E+3n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human testicular 17-alpha-hydroxylase


J Med Chem 39: 4335-9 (1996)


Article DOI: 10.1021/jm960245f
BindingDB Entry DOI: 10.7270/Q2P84B07
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50407984
PNG
(CHEMBL2112765)
Show SMILES CC(N=N)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C21H34N2O/c1-13(23-22)17-6-7-18-16-5-4-14-12-15(24)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,13,15-19,22,24H,5-12H2,1-3H3/t13?,15-,16-,17+,18-,19-,20-,21+/m0/s1
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n/an/a 4.90E+3n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human testicular 17-alpha-hydroxylase


J Med Chem 39: 4335-9 (1996)


Article DOI: 10.1021/jm960245f
BindingDB Entry DOI: 10.7270/Q2P84B07
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50407984
PNG
(CHEMBL2112765)
Show SMILES CC(N=N)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C21H34N2O/c1-13(23-22)17-6-7-18-16-5-4-14-12-15(24)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,13,15-19,22,24H,5-12H2,1-3H3/t13?,15-,16-,17+,18-,19-,20-,21+/m0/s1
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n/an/a 4.90E+3n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human testicular 17-alpha-hydroxylase


J Med Chem 39: 4335-9 (1996)


Article DOI: 10.1021/jm960245f
BindingDB Entry DOI: 10.7270/Q2P84B07
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50054208
PNG
((3S,10R,13S)-17-Hydrazono-10,13-dimethyl-2,3,4,7,8...)
Show SMILES C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CCC2=NN
Show InChI InChI=1S/C19H30N2O/c1-18-9-7-13(22)11-12(18)3-4-14-15-5-6-17(21-20)19(15,2)10-8-16(14)18/h3,13-16,22H,4-11,20H2,1-2H3/t13-,14?,15?,16?,18-,19-/m0/s1
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n/an/a 6.48E+3n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human testicular steroid 17-alpha-hydroxylase


J Med Chem 39: 4335-9 (1996)


Article DOI: 10.1021/jm960245f
BindingDB Entry DOI: 10.7270/Q2P84B07
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50407976
PNG
(CHEMBL2112764)
Show SMILES C[C@@H](CN=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C22H33NO2/c1-14(13-23-25)18-6-7-19-17-5-4-15-12-16(24)8-10-21(15,2)20(17)9-11-22(18,19)3/h12,14,17-20H,4-11,13H2,1-3H3/t14-,17-,18+,19-,20-,21-,22+/m0/s1
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n/an/a 6.97E+3n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human testicular 17-alpha-hydroxylase


J Med Chem 39: 4335-9 (1996)


Article DOI: 10.1021/jm960245f
BindingDB Entry DOI: 10.7270/Q2P84B07
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50407976
PNG
(CHEMBL2112764)
Show SMILES C[C@@H](CN=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C22H33NO2/c1-14(13-23-25)18-6-7-19-17-5-4-15-12-16(24)8-10-21(15,2)20(17)9-11-22(18,19)3/h12,14,17-20H,4-11,13H2,1-3H3/t14-,17-,18+,19-,20-,21-,22+/m0/s1
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n/an/a 6.97E+3n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human testicular 17-alpha-hydroxylase


J Med Chem 39: 4335-9 (1996)


Article DOI: 10.1021/jm960245f
BindingDB Entry DOI: 10.7270/Q2P84B07
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50407980
PNG
(CHEMBL2112298)
Show SMILES C[C@@H](N)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C21H35NO/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,13,15-19,23H,5-12,22H2,1-3H3/t13-,15+,16+,17-,18+,19+,20+,21-/m1/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human testicular 17-alpha-hydroxylase


J Med Chem 39: 4335-9 (1996)


Article DOI: 10.1021/jm960245f
BindingDB Entry DOI: 10.7270/Q2P84B07
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50407980
PNG
(CHEMBL2112298)
Show SMILES C[C@@H](N)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C21H35NO/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,13,15-19,23H,5-12,22H2,1-3H3/t13-,15+,16+,17-,18+,19+,20+,21-/m1/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human testicular 17-alpha-hydroxylase


J Med Chem 39: 4335-9 (1996)


Article DOI: 10.1021/jm960245f
BindingDB Entry DOI: 10.7270/Q2P84B07
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50054210
PNG
((3S,10R,13S)-3-Hydroxy-10,13-dimethyl-1,2,3,4,7,8,...)
Show SMILES C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CCC2N=O
Show InChI InChI=1S/C19H29NO2/c1-18-9-7-13(21)11-12(18)3-4-14-15-5-6-17(20-22)19(15,2)10-8-16(14)18/h3,13-17,21H,4-11H2,1-2H3/t13-,14?,15?,16?,17?,18-,19-/m0/s1
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n/an/a 1.07E+4n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human testicular 17-alpha-hydroxylase


J Med Chem 39: 4335-9 (1996)


Article DOI: 10.1021/jm960245f
BindingDB Entry DOI: 10.7270/Q2P84B07
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50054210
PNG
((3S,10R,13S)-3-Hydroxy-10,13-dimethyl-1,2,3,4,7,8,...)
Show SMILES C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CCC2N=O
Show InChI InChI=1S/C19H29NO2/c1-18-9-7-13(21)11-12(18)3-4-14-15-5-6-17(20-22)19(15,2)10-8-16(14)18/h3,13-17,21H,4-11H2,1-2H3/t13-,14?,15?,16?,17?,18-,19-/m0/s1
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n/an/a 1.35E+4n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human testicular steroid 17-alpha-hydroxylase


J Med Chem 39: 4335-9 (1996)


Article DOI: 10.1021/jm960245f
BindingDB Entry DOI: 10.7270/Q2P84B07
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50054200
PNG
((3S,10R,13S)-17-[1-(Dimethyl-hydrazono)-ethyl]-10,...)
Show SMILES CN(C)N=C(C)C1=CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C23H36N2O/c1-15(24-25(4)5)19-8-9-20-18-7-6-16-14-17(26)10-12-22(16,2)21(18)11-13-23(19,20)3/h6,8,17-18,20-21,26H,7,9-14H2,1-5H3/t17-,18?,20?,21?,22-,23+/m0/s1
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n/an/a 3.50E+4n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human testicular 17-alpha-hydroxylase


J Med Chem 39: 4335-9 (1996)


Article DOI: 10.1021/jm960245f
BindingDB Entry DOI: 10.7270/Q2P84B07
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50054200
PNG
((3S,10R,13S)-17-[1-(Dimethyl-hydrazono)-ethyl]-10,...)
Show SMILES CN(C)N=C(C)C1=CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C23H36N2O/c1-15(24-25(4)5)19-8-9-20-18-7-6-16-14-17(26)10-12-22(16,2)21(18)11-13-23(19,20)3/h6,8,17-18,20-21,26H,7,9-14H2,1-5H3/t17-,18?,20?,21?,22-,23+/m0/s1
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n/an/a 4.37E+4n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human testicular steroid 17-alpha-hydroxylase


J Med Chem 39: 4335-9 (1996)


Article DOI: 10.1021/jm960245f
BindingDB Entry DOI: 10.7270/Q2P84B07
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50407977
PNG
(CHEMBL2112761)
Show SMILES C[C@H](N)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C21H35NO/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,13,15-19,23H,5-12,22H2,1-3H3/t13-,15-,16-,17+,18-,19-,20-,21+/m0/s1
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n/an/a 4.39E+4n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human testicular 17-alpha-hydroxylase


J Med Chem 39: 4335-9 (1996)


Article DOI: 10.1021/jm960245f
BindingDB Entry DOI: 10.7270/Q2P84B07
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50407977
PNG
(CHEMBL2112761)
Show SMILES C[C@H](N)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C21H35NO/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,13,15-19,23H,5-12,22H2,1-3H3/t13-,15-,16-,17+,18-,19-,20-,21+/m0/s1
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n/an/a 4.39E+4n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human testicular 17-alpha-hydroxylase


J Med Chem 39: 4335-9 (1996)


Article DOI: 10.1021/jm960245f
BindingDB Entry DOI: 10.7270/Q2P84B07
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%