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PubMed code 15771425

Compile data set for download or QSAR
Found 65 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 11B2, mitochondrial


(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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Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...


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
3D
3D Structure (crystal)
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM8871
PNG
(5-[(1E)-1,2,3,4-tetrahydronaphthalen-1-ylidenemeth...)
Show SMILES C1CC(=Cc2cnc[nH]2)c2ccccc2C1 |w:3.3|
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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Article
PubMed
n/an/a 3.30n/an/an/an/a7.437



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...


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 11B2, mitochondrial


(Homo sapiens (Human))
BDBM8881
PNG
(5-[(E)-(5-Chloro-2,3-dihydro-1H-inden-1-ylidene)me...)
Show SMILES Clc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:10.12|
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/a 3.70n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...


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
Aromatase


(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/a 5n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...


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 11B1, mitochondrial


(Homo sapiens (Human))
BDBM8873
PNG
(5-[(1E)-2,3-dihydro-1H-inden-1-ylidenemethyl]-1H-i...)
Show SMILES C1Cc2ccccc2C1=Cc1cnc[nH]1 |w:9.11|
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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PubMed
n/an/a 6.10n/an/an/an/a7.437



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...


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 11B1, mitochondrial


(Homo sapiens (Human))
BDBM8875
PNG
((5Z)-5-(1H-Imidazol-5-ylmethylene)-5,6,7,8-tetrahy...)
Show SMILES N#Cc1ccc2C(CCCc2c1)=Cc1cnc[nH]1 |w:12.14|
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/a 6.90n/an/an/an/a7.437



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...


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 11B2, mitochondrial


(Homo sapiens (Human))
BDBM8871
PNG
(5-[(1E)-1,2,3,4-tetrahydronaphthalen-1-ylidenemeth...)
Show SMILES C1CC(=Cc2cnc[nH]2)c2ccccc2C1 |w:3.3|
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/a 9.60n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...


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 11B1, mitochondrial


(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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PubMed
n/an/a 9.70n/an/an/an/a7.437



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...


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
3D
3D Structure (crystal)
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM8883
PNG
(5-[(E)-(5-Bromo-2,3-dihydro-1H-inden-1-ylidene)met...)
Show SMILES Brc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:10.12|
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/a 10.3n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...


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 11B2, mitochondrial


(Homo sapiens (Human))
BDBM8873
PNG
(5-[(1E)-2,3-dihydro-1H-inden-1-ylidenemethyl]-1H-i...)
Show SMILES C1Cc2ccccc2C1=Cc1cnc[nH]1 |w:9.11|
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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PubMed
n/an/a 11n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...


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 11B1, mitochondrial


(Homo sapiens (Human))
BDBM8879
PNG
(5-[(E)-(5-Fluoro-2,3-dihydro-1H-inden-1-ylidene)me...)
Show SMILES Fc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:10.12|
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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PubMed
n/an/a 11.2n/an/an/an/a7.437



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...


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 11B1, mitochondrial


(Homo sapiens (Human))
BDBM8876
PNG
((1E)-1-(1H-Imidazol-5-ylmethylene)indane-5-carboni...)
Show SMILES N#Cc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:11.13|
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/a 12.3n/an/an/an/a7.437



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...


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 11B2, mitochondrial


(Homo sapiens (Human))
BDBM8879
PNG
(5-[(E)-(5-Fluoro-2,3-dihydro-1H-inden-1-ylidene)me...)
Show SMILES Fc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:10.12|
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/a 13.9n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...


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
Aromatase


(Homo sapiens (Human))
BDBM8876
PNG
((1E)-1-(1H-Imidazol-5-ylmethylene)indane-5-carboni...)
Show SMILES N#Cc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:11.13|
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/a 15n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...


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 11B1, mitochondrial


(Homo sapiens (Human))
BDBM8876
PNG
((1E)-1-(1H-Imidazol-5-ylmethylene)indane-5-carboni...)
Show SMILES N#Cc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:11.13|
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/a 15n/an/an/an/a7.437



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...


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 11B2, mitochondrial


(Homo sapiens (Human))
BDBM8879
PNG
(5-[(E)-(5-Fluoro-2,3-dihydro-1H-inden-1-ylidene)me...)
Show SMILES Fc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:10.12|
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/a 16.7n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...


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 11B1, mitochondrial


(Homo sapiens (Human))
BDBM8878
PNG
(5-[(E)-(7-Chloro-3,4-dihydronaphthalen-1(2H)-ylide...)
Show SMILES Clc1ccc2CCCC(=Cc3cnc[nH]3)c2c1 |w:9.9|
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/a 18.7n/an/an/an/a7.437



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...


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 11B1, mitochondrial


(Homo sapiens (Human))
BDBM8881
PNG
(5-[(E)-(5-Chloro-2,3-dihydro-1H-inden-1-ylidene)me...)
Show SMILES Clc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:10.12|
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/a 19.5n/an/an/an/a7.437



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...


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
Aromatase


(Homo sapiens (Human))
BDBM8879
PNG
(5-[(E)-(5-Fluoro-2,3-dihydro-1H-inden-1-ylidene)me...)
Show SMILES Fc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:10.12|
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/a 20n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...


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 11B1, mitochondrial


(Homo sapiens (Human))
BDBM8879
PNG
(5-[(E)-(5-Fluoro-2,3-dihydro-1H-inden-1-ylidene)me...)
Show SMILES Fc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:10.12|
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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PubMed
n/an/a 20.6n/an/an/an/a7.437



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...


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 11B2, mitochondrial


(Homo sapiens (Human))
BDBM8875
PNG
((5Z)-5-(1H-Imidazol-5-ylmethylene)-5,6,7,8-tetrahy...)
Show SMILES N#Cc1ccc2C(CCCc2c1)=Cc1cnc[nH]1 |w:12.14|
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/a 22.7n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...


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 11B1, mitochondrial


(Homo sapiens (Human))
BDBM8883
PNG
(5-[(E)-(5-Bromo-2,3-dihydro-1H-inden-1-ylidene)met...)
Show SMILES Brc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:10.12|
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/a 23.5n/an/an/an/a7.437



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...


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 11B2, mitochondrial


(Homo sapiens (Human))
BDBM8871
PNG
(5-[(1E)-1,2,3,4-tetrahydronaphthalen-1-ylidenemeth...)
Show SMILES C1CC(=Cc2cnc[nH]2)c2ccccc2C1 |w:3.3|
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/a 24.8n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...


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 11B1, mitochondrial


(Homo sapiens (Human))
BDBM8873
PNG
(5-[(1E)-2,3-dihydro-1H-inden-1-ylidenemethyl]-1H-i...)
Show SMILES C1Cc2ccccc2C1=Cc1cnc[nH]1 |w:9.11|
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/a 25.9n/an/an/an/a7.437



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...


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 11B1, mitochondrial


(Homo sapiens (Human))
BDBM8883
PNG
(5-[(E)-(5-Bromo-2,3-dihydro-1H-inden-1-ylidene)met...)
Show SMILES Brc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:10.12|
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/a 26.2n/an/an/an/a7.437



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...


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
Aromatase


(Homo sapiens (Human))
BDBM8883
PNG
(5-[(E)-(5-Bromo-2,3-dihydro-1H-inden-1-ylidene)met...)
Show SMILES Brc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:10.12|
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/a 27n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...


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 11B1, mitochondrial


(Homo sapiens (Human))
BDBM8881
PNG
(5-[(E)-(5-Chloro-2,3-dihydro-1H-inden-1-ylidene)me...)
Show SMILES Clc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:10.12|
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/a 28.7n/an/an/an/a7.437



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...


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 11B1, mitochondrial


(Homo sapiens (Human))
BDBM8871
PNG
(5-[(1E)-1,2,3,4-tetrahydronaphthalen-1-ylidenemeth...)
Show SMILES C1CC(=Cc2cnc[nH]2)c2ccccc2C1 |w:3.3|
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/a 31.4n/an/an/an/a7.437



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...


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 11B2, mitochondrial


(Homo sapiens (Human))
BDBM8876
PNG
((1E)-1-(1H-Imidazol-5-ylmethylene)indane-5-carboni...)
Show SMILES N#Cc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:11.13|
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/a 35.7n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...


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 11B2, mitochondrial


(Homo sapiens (Human))
BDBM8876
PNG
((1E)-1-(1H-Imidazol-5-ylmethylene)indane-5-carboni...)
Show SMILES N#Cc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:11.13|
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/a 35.9n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...


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
Aromatase


(Homo sapiens (Human))
BDBM8881
PNG
(5-[(E)-(5-Chloro-2,3-dihydro-1H-inden-1-ylidene)me...)
Show SMILES Clc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:10.12|
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/a 39n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...


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 11B2, mitochondrial


(Homo sapiens (Human))
BDBM8873
PNG
(5-[(1E)-2,3-dihydro-1H-inden-1-ylidenemethyl]-1H-i...)
Show SMILES C1Cc2ccccc2C1=Cc1cnc[nH]1 |w:9.11|
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/a 41n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...


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 11B2, mitochondrial


(Homo sapiens (Human))
BDBM8878
PNG
(5-[(E)-(7-Chloro-3,4-dihydronaphthalen-1(2H)-ylide...)
Show SMILES Clc1ccc2CCCC(=Cc3cnc[nH]3)c2c1 |w:9.9|
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/a 47.3n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...


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 11B2, mitochondrial


(Homo sapiens (Human))
BDBM8881
PNG
(5-[(E)-(5-Chloro-2,3-dihydro-1H-inden-1-ylidene)me...)
Show SMILES Clc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:10.12|
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/a 88.8n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...


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 11B2, mitochondrial


(Homo sapiens (Human))
BDBM8883
PNG
(5-[(E)-(5-Bromo-2,3-dihydro-1H-inden-1-ylidene)met...)
Show SMILES Brc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:10.12|
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/a 92.8n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...


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
Aromatase


(Homo sapiens (Human))
BDBM8883
PNG
(5-[(E)-(5-Bromo-2,3-dihydro-1H-inden-1-ylidene)met...)
Show SMILES Brc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:10.12|
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/a 100n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...


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
Aromatase


(Homo sapiens (Human))
BDBM8876
PNG
((1E)-1-(1H-Imidazol-5-ylmethylene)indane-5-carboni...)
Show SMILES N#Cc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:11.13|
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/a 119n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...


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
Aromatase


(Homo sapiens (Human))
BDBM8878
PNG
(5-[(E)-(7-Chloro-3,4-dihydronaphthalen-1(2H)-ylide...)
Show SMILES Clc1ccc2CCCC(=Cc3cnc[nH]3)c2c1 |w:9.9|
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/a 120n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...


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
Aromatase


(Homo sapiens (Human))
BDBM8875
PNG
((5Z)-5-(1H-Imidazol-5-ylmethylene)-5,6,7,8-tetrahy...)
Show SMILES N#Cc1ccc2C(CCCc2c1)=Cc1cnc[nH]1 |w:12.14|
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/a 125n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...


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
Aromatase


(Homo sapiens (Human))
BDBM8873
PNG
(5-[(1E)-2,3-dihydro-1H-inden-1-ylidenemethyl]-1H-i...)
Show SMILES C1Cc2ccccc2C1=Cc1cnc[nH]1 |w:9.11|
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/a 130n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...


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
Aromatase


(Homo sapiens (Human))
BDBM8871
PNG
(5-[(1E)-1,2,3,4-tetrahydronaphthalen-1-ylidenemeth...)
Show SMILES C1CC(=Cc2cnc[nH]2)c2ccccc2C1 |w:3.3|
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/a 190n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...


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
Aromatase


(Homo sapiens (Human))
BDBM8879
PNG
(5-[(E)-(5-Fluoro-2,3-dihydro-1H-inden-1-ylidene)me...)
Show SMILES Fc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:10.12|
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/a 218n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...


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
Aromatase


(Homo sapiens (Human))
BDBM8871
PNG
(5-[(1E)-1,2,3,4-tetrahydronaphthalen-1-ylidenemeth...)
Show SMILES C1CC(=Cc2cnc[nH]2)c2ccccc2C1 |w:3.3|
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/a 226n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...


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
Aromatase


(Homo sapiens (Human))
BDBM8881
PNG
(5-[(E)-(5-Chloro-2,3-dihydro-1H-inden-1-ylidene)me...)
Show SMILES Clc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:10.12|
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/a 330n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...


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
Aromatase


(Homo sapiens (Human))
BDBM8886
PNG
((8E)-8-(1H-Imidazol-5-ylmethylene)-5,6,7,8-tetrahy...)
Show SMILES N#Cc1ccc2CCCC(=Cc3cnc[nH]3)c2c1 |w:10.10|
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/a 810n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...


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
Aromatase


(Homo sapiens (Human))
BDBM8873
PNG
(5-[(1E)-2,3-dihydro-1H-inden-1-ylidenemethyl]-1H-i...)
Show SMILES C1Cc2ccccc2C1=Cc1cnc[nH]1 |w:9.11|
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/a 955n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...


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
Aromatase


(Homo sapiens (Human))
BDBM8886
PNG
((8E)-8-(1H-Imidazol-5-ylmethylene)-5,6,7,8-tetrahy...)
Show SMILES N#Cc1ccc2CCCC(=Cc3cnc[nH]3)c2c1 |w:10.10|
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/a 970n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...


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
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM8881
PNG
(5-[(E)-(5-Chloro-2,3-dihydro-1H-inden-1-ylidene)me...)
Show SMILES Clc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:10.12|
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
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM8881
PNG
(5-[(E)-(5-Chloro-2,3-dihydro-1H-inden-1-ylidene)me...)
Show SMILES Clc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:10.12|
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
Steroid 17-alpha-hydroxylase/17,20 lyase


(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
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM8875
PNG
((5Z)-5-(1H-Imidazol-5-ylmethylene)-5,6,7,8-tetrahy...)
Show SMILES N#Cc1ccc2C(CCCc2c1)=Cc1cnc[nH]1 |w:12.14|
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
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM8878
PNG
(5-[(E)-(7-Chloro-3,4-dihydronaphthalen-1(2H)-ylide...)
Show SMILES Clc1ccc2CCCC(=Cc3cnc[nH]3)c2c1 |w:9.9|
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
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM8879
PNG
(5-[(E)-(5-Fluoro-2,3-dihydro-1H-inden-1-ylidene)me...)
Show SMILES Fc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:10.12|
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
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM8883
PNG
(5-[(E)-(5-Bromo-2,3-dihydro-1H-inden-1-ylidene)met...)
Show SMILES Brc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:10.12|
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
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM8871
PNG
(5-[(1E)-1,2,3,4-tetrahydronaphthalen-1-ylidenemeth...)
Show SMILES C1CC(=Cc2cnc[nH]2)c2ccccc2C1 |w:3.3|
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
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM8873
PNG
(5-[(1E)-2,3-dihydro-1H-inden-1-ylidenemethyl]-1H-i...)
Show SMILES C1Cc2ccccc2C1=Cc1cnc[nH]1 |w:9.11|
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
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM8876
PNG
((1E)-1-(1H-Imidazol-5-ylmethylene)indane-5-carboni...)
Show SMILES N#Cc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:11.13|
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
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM8883
PNG
(5-[(E)-(5-Bromo-2,3-dihydro-1H-inden-1-ylidene)met...)
Show SMILES Brc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:10.12|
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
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM8886
PNG
((8E)-8-(1H-Imidazol-5-ylmethylene)-5,6,7,8-tetrahy...)
Show SMILES N#Cc1ccc2CCCC(=Cc3cnc[nH]3)c2c1 |w:10.10|
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
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM8876
PNG
((1E)-1-(1H-Imidazol-5-ylmethylene)indane-5-carboni...)
Show SMILES N#Cc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:11.13|
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
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM8871
PNG
(5-[(1E)-1,2,3,4-tetrahydronaphthalen-1-ylidenemeth...)
Show SMILES C1CC(=Cc2cnc[nH]2)c2ccccc2C1 |w:3.3|
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
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM8886
PNG
((8E)-8-(1H-Imidazol-5-ylmethylene)-5,6,7,8-tetrahy...)
Show SMILES N#Cc1ccc2CCCC(=Cc3cnc[nH]3)c2c1 |w:10.10|
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
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM8610
PNG
(1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...)
Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r|
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
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM8879
PNG
(5-[(E)-(5-Fluoro-2,3-dihydro-1H-inden-1-ylidene)me...)
Show SMILES Fc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:10.12|
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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Article
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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
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM8873
PNG
(5-[(1E)-2,3-dihydro-1H-inden-1-ylidenemethyl]-1H-i...)
Show SMILES C1Cc2ccccc2C1=Cc1cnc[nH]1 |w:9.11|
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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Article
PubMed
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
* indicates data uncertainty>20%