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Compile Data Set for Download or QSAR

Found 1493 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 11B1, mitochondrial'   
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 11B1, mitochondrial


(Homo sapiens (human))
BDBM8581
PNG
((3-Pyridylmethylene)indane 1a | 3-[(1E)-2,3-dihydr...)
Show SMILES C1Cc2ccccc2\C1=C\c1cccnc1
Show InChI InChI=1S/C15H13N/c1-2-6-15-13(5-1)7-8-14(15)10-12-4-3-9-16-11-12/h1-6,9-11H,7-8H2/b14-10+
PDB

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Article
PubMed
n/an/a 888n/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: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (human))
BDBM8583
PNG
((3-Pyridylmethylene)indane 1b | 3-[(1Z)-2,3-dihydr...)
Show SMILES C1Cc2ccccc2\C1=C/c1cccnc1
Show InChI InChI=1S/C15H13N/c1-2-6-15-13(5-1)7-8-14(15)10-12-4-3-9-16-11-12/h1-6,9-11H,7-8H2/b14-10-
PDB

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Article
PubMed
n/an/a 87n/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: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (human))
BDBM9922
PNG
(3-(1,2-dihydroacenaphthylen-5-yl)pyridine | acenap...)
Show SMILES C1Cc2ccc(-c3cccnc3)c3cccc1c23
Show InChI InChI=1S/C17H13N/c1-3-12-6-7-13-8-9-15(16(5-1)17(12)13)14-4-2-10-18-11-14/h1-5,8-11H,6-7H2
PDB

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UniChem
Article
PubMed
n/an/a 2.90E+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...


Bioorg Med Chem Lett 16: 25-30 (2006)


Article DOI: 10.1016/j.bmcl.2005.09.059
BindingDB Entry DOI: 10.7270/Q2F18WXW
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (human))
BDBM8584
PNG
((3-Pyridylmethylene)tetrahydronaphthalene 3a | 3-[...)
Show SMILES C1C\C(=C/c2cccnc2)c2ccccc2C1
Show InChI InChI=1S/C16H15N/c1-2-9-16-14(6-1)7-3-8-15(16)11-13-5-4-10-17-12-13/h1-2,4-6,9-12H,3,7-8H2/b15-11+
PDB

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UniChem

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Article
PubMed
n/an/a 715n/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: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (human))
BDBM8585
PNG
((3-Pyridylmethylene)tetrahydronaphthalene 3b | 3-[...)
Show SMILES C1C\C(=C\c2cccnc2)c2ccccc2C1
Show InChI InChI=1S/C16H15N/c1-2-9-16-14(6-1)7-3-8-15(16)11-13-5-4-10-17-12-13/h1-2,4-6,9-12H,3,7-8H2/b15-11-
PDB

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UniChem

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Article
PubMed
n/an/a 1.42E+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: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (human))
BDBM8586
PNG
((3-Pyridylmethylene)indane 5a | 3-{[(1E)-5-fluoro-...)
Show SMILES Fc1ccc2\C(CCc2c1)=C\c1cccnc1
Show InChI InChI=1S/C15H12FN/c16-14-5-6-15-12(3-4-13(15)9-14)8-11-2-1-7-17-10-11/h1-2,5-10H,3-4H2/b12-8+
PDB

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Article
PubMed
n/an/a 311n/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: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (human))
BDBM8587
PNG
((3-Pyridylmethylene)indane 5b | 3-{[(1Z)-5-fluoro-...)
Show SMILES Fc1ccc2\C(CCc2c1)=C/c1cccnc1
Show InChI InChI=1S/C15H12FN/c16-14-5-6-15-12(3-4-13(15)9-14)8-11-2-1-7-17-10-11/h1-2,5-10H,3-4H2/b12-8-
PDB

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UniChem

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Article
PubMed
n/an/a 125n/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: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (human))
BDBM8588
PNG
((3-Pyridylmethylene)indane 7a | 3-{[(1E)-5-chloro-...)
Show SMILES Clc1ccc2\C(CCc2c1)=C\c1cccnc1
Show InChI InChI=1S/C15H12ClN/c16-14-5-6-15-12(3-4-13(15)9-14)8-11-2-1-7-17-10-11/h1-2,5-10H,3-4H2/b12-8+
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Article
PubMed
n/an/a 1.47E+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: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (human))
BDBM8589
PNG
((3-Pyridylmethylene)indane 7b | 3-{[(1Z)-5-chloro-...)
Show SMILES Clc1ccc2\C(CCc2c1)=C/c1cccnc1
Show InChI InChI=1S/C15H12ClN/c16-14-5-6-15-12(3-4-13(15)9-14)8-11-2-1-7-17-10-11/h1-2,5-10H,3-4H2/b12-8-
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Article
PubMed
n/an/a 270n/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: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (human))
BDBM8590
PNG
((3-Pyridylmethylene)indane 9a | 3-{[(1E)-5-bromo-2...)
Show SMILES Brc1ccc2\C(CCc2c1)=C\c1cccnc1
Show InChI InChI=1S/C15H12BrN/c16-14-5-6-15-12(3-4-13(15)9-14)8-11-2-1-7-17-10-11/h1-2,5-10H,3-4H2/b12-8+
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Article
PubMed
n/an/a 1.94E+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: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (human))
BDBM8591
PNG
((3-Pyridylmethylene)indane 9b | 3-{[(1Z)-5-bromo-2...)
Show SMILES Brc1ccc2\C(CCc2c1)=C/c1cccnc1
Show InChI InChI=1S/C15H12BrN/c16-14-5-6-15-12(3-4-13(15)9-14)8-11-2-1-7-17-10-11/h1-2,5-10H,3-4H2/b12-8-
PDB

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Article
PubMed
n/an/a 320n/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: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
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
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)
PDB

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Article
PubMed
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 11B1, mitochondrial


(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)
PDB

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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 11B1, mitochondrial


(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)
PDB

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Article
PubMed
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))
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)
PDB

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UniChem

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Article
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
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)
PDB

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UniChem

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Article
PubMed
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 11B1, mitochondrial


(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)
PDB

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Article
PubMed
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 11B1, mitochondrial


(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)
PDB

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Article
PubMed
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 11B1, mitochondrial


(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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Article
PubMed
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))
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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Article
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 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
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)
PDB

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Article
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))
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)
PDB

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UniChem

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Article
PubMed
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))
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/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
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
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
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
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 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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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 11B1, mitochondrial


(Homo sapiens (human))
BDBM8888
PNG
(3-(1H-Inden-2-yl)pyridine | US9271963, 32 | indene...)
Show SMILES C1C(=Cc2ccccc12)c1cccnc1
Show InChI InChI=1S/C14H11N/c1-2-5-12-9-14(8-11(12)4-1)13-6-3-7-15-10-13/h1-8,10H,9H2
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n/an/a 2.39E+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...


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 11B1, mitochondrial


(Homo sapiens (human))
BDBM8889
PNG
(3-(3,4-Dihydronaphthalen-2-yl)pyridine | Dihydrona...)
Show SMILES C1Cc2ccccc2C=C1c1cccnc1
Show InChI InChI=1S/C15H13N/c1-2-5-13-10-14(8-7-12(13)4-1)15-6-3-9-16-11-15/h1-6,9-11H,7-8H2
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n/an/a 1.73E+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...


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 11B1, mitochondrial


(Homo sapiens (human))
BDBM8890
PNG
(3-(5-Methoxy-1H-inden-2-yl)pyridine | indene 3)
Show SMILES COc1ccc2CC(=Cc2c1)c1cccnc1
Show InChI InChI=1S/C15H13NO/c1-17-15-5-4-11-7-13(8-14(11)9-15)12-3-2-6-16-10-12/h2-6,8-10H,7H2,1H3
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n/an/a 5.68E+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...


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 11B1, mitochondrial


(Homo sapiens (human))
BDBM8891
PNG
(3-(6-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine |...)
Show SMILES COc1ccc2C=C(CCc2c1)c1cccnc1
Show InChI InChI=1S/C16H15NO/c1-18-16-7-6-12-9-13(4-5-14(12)10-16)15-3-2-8-17-11-15/h2-3,6-11H,4-5H2,1H3
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n/an/a 578n/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...


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 11B1, mitochondrial


(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 1.27E+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...


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 11B1, mitochondrial


(Homo sapiens (human))
BDBM8893
PNG
(3-(1-Ethyl-3,4-dihydronaphthalen-2-yl)-pyridine | ...)
Show SMILES CCC1=C(CCc2ccccc12)c1cccnc1
Show InChI InChI=1S/C17H17N/c1-2-15-16-8-4-3-6-13(16)9-10-17(15)14-7-5-11-18-12-14/h3-8,11-12H,2,9-10H2,1H3
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n/an/a 2.12E+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...


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 11B1, mitochondrial


(Homo sapiens (human))
BDBM8894
PNG
(3-(3-Methyl-3,4-dihydronaphthalen-2-yl)pyridine | ...)
Show SMILES CC1Cc2ccccc2C=C1c1cccnc1
Show InChI InChI=1S/C16H15N/c1-12-9-13-5-2-3-6-14(13)10-16(12)15-7-4-8-17-11-15/h2-8,10-12H,9H2,1H3
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n/an/a 503n/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...


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 11B1, mitochondrial


(Homo sapiens (human))
BDBM8895
PNG
(3-(4-Methyl-3,4-dihydronaphthalen-2-yl)pyridine | ...)
Show SMILES CC1CC(=Cc2ccccc12)c1cccnc1
Show InChI InChI=1S/C16H15N/c1-12-9-15(14-6-4-8-17-11-14)10-13-5-2-3-7-16(12)13/h2-8,10-12H,9H2,1H3
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n/an/a 1.29E+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...


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 11B1, mitochondrial


(Homo sapiens (human))
BDBM8896
PNG
(3-(4-Ethyl-3,4-dihydronaphthalen-2-yl)pyridine | D...)
Show SMILES CCC1CC(=Cc2ccccc12)c1cccnc1
Show InChI InChI=1S/C17H17N/c1-2-13-10-16(15-7-5-9-18-12-15)11-14-6-3-4-8-17(13)14/h3-9,11-13H,2,10H2,1H3
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n/an/a 1.62E+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...


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 11B1, mitochondrial


(Homo sapiens (human))
BDBM8897
PNG
(4-(6-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine |...)
Show SMILES COc1ccc2C=C(CCc2c1)c1ccncc1
Show InChI InChI=1S/C16H15NO/c1-18-16-5-4-14-10-13(2-3-15(14)11-16)12-6-8-17-9-7-12/h4-11H,2-3H2,1H3
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n/an/a 2.53E+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...


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 11B1, mitochondrial


(Homo sapiens (human))
BDBM8898
PNG
(1-(3,4-Dihydronaphthalen-2-yl)-1H-imidazole | Dihy...)
Show SMILES C1Cc2ccccc2C=C1n1ccnc1
Show InChI InChI=1S/C13H12N2/c1-2-4-12-9-13(6-5-11(12)3-1)15-8-7-14-10-15/h1-4,7-10H,5-6H2
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n/an/a 639n/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...


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 11B1, mitochondrial


(Homo sapiens (human))
BDBM8899
PNG
(1-(6-Methoxy-3,4-dihydronaphthalen-2-yl)-1H-imidaz...)
Show SMILES COc1ccc2C=C(CCc2c1)n1ccnc1
Show InChI InChI=1S/C14H14N2O/c1-17-14-5-3-11-8-13(4-2-12(11)9-14)16-7-6-15-10-16/h3,5-10H,2,4H2,1H3
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n/an/a 763n/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...


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 11B1, mitochondrial


(Homo sapiens (human))
BDBM8900
PNG
(3-[(Z)-2-Phenylvinyl]pyridine | 3-[(Z)-2-phenyleth...)
Show SMILES C(=C\c1cccnc1)\c1ccccc1
Show InChI InChI=1S/C13H11N/c1-2-5-12(6-3-1)8-9-13-7-4-10-14-11-13/h1-11H/b9-8-
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n/an/a 288n/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...


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 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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n/an/a 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...


Pharmacol Rev 49: 2222-31 (2006)


Article DOI: 10.1021/jm060055x
BindingDB Entry DOI: 10.7270/Q2MW2FBS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 11B1, mitochondrial


(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 224n/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...


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 11B1, mitochondrial


(Homo sapiens (human))
BDBM8904
PNG
(3-(2-Naphthyl)pyridine | 3-(naphthalen-2-yl)pyridi...)
Show SMILES c1ccc2cc(ccc2c1)-c1cccnc1
Show InChI InChI=1S/C15H11N/c1-2-5-13-10-14(8-7-12(13)4-1)15-6-3-9-16-11-15/h1-11H
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n/an/a 5.83E+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: 6632-42 (2005)


Article DOI: 10.1021/jm0503704
BindingDB Entry DOI: 10.7270/Q2H41PNT
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(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 1.58E+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: 6632-42 (2005)


Article DOI: 10.1021/jm0503704
BindingDB Entry DOI: 10.7270/Q2H41PNT
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (human))
BDBM8906
PNG
(6-(pyridin-3-yl)naphthalen-2-ol | 6-Pyridin-3-ylna...)
Show SMILES Oc1ccc2cc(ccc2c1)-c1cccnc1
Show InChI InChI=1S/C15H11NO/c17-15-6-5-11-8-12(3-4-13(11)9-15)14-2-1-7-16-10-14/h1-10,17H
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n/an/a 2.67E+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: 6632-42 (2005)


Article DOI: 10.1021/jm0503704
BindingDB Entry DOI: 10.7270/Q2H41PNT
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (human))
BDBM8907
PNG
(3-(6-Bromo-2-naphthyl)pyridine | 3-(6-bromonaphtha...)
Show SMILES Brc1ccc2cc(ccc2c1)-c1cccnc1
Show InChI InChI=1S/C15H10BrN/c16-15-6-5-11-8-12(3-4-13(11)9-15)14-2-1-7-17-10-14/h1-10H
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n/an/a 2.94E+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: 6632-42 (2005)


Article DOI: 10.1021/jm0503704
BindingDB Entry DOI: 10.7270/Q2H41PNT
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (human))
BDBM8908
PNG
(3-(6-Ethoxy-2-naphthyl)pyridine | 3-(6-ethoxynapht...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1cccnc1
Show InChI InChI=1S/C17H15NO/c1-2-19-17-8-7-13-10-14(5-6-15(13)11-17)16-4-3-9-18-12-16/h3-12H,2H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 5.42E+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: 6632-42 (2005)


Article DOI: 10.1021/jm0503704
BindingDB Entry DOI: 10.7270/Q2H41PNT
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 691n/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: 6632-42 (2005)


Article DOI: 10.1021/jm0503704
BindingDB Entry DOI: 10.7270/Q2H41PNT
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (human))
BDBM8910
PNG
(3-(5-Chloro-6-methoxy-2-naphthyl)pyridine | 3-(5-c...)
Show SMILES COc1ccc2cc(ccc2c1Cl)-c1cccnc1
Show InChI InChI=1S/C16H12ClNO/c1-19-15-7-5-12-9-11(4-6-14(12)16(15)17)13-3-2-8-18-10-13/h2-10H,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.52E+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: 6632-42 (2005)


Article DOI: 10.1021/jm0503704
BindingDB Entry DOI: 10.7270/Q2H41PNT
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (human))
BDBM8911
PNG
(3-(5-Bromo-6-methoxy-2-naphthyl)pyridine | 3-(5-br...)
Show SMILES COc1ccc2cc(ccc2c1Br)-c1cccnc1
Show InChI InChI=1S/C16H12BrNO/c1-19-15-7-5-12-9-11(4-6-14(12)16(15)17)13-3-2-8-18-10-13/h2-10H,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.48E+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: 6632-42 (2005)


Article DOI: 10.1021/jm0503704
BindingDB Entry DOI: 10.7270/Q2H41PNT
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.90E+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: 6632-42 (2005)


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