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Found 1645 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 11B2, 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 11B2, 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+
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n/an/a 11n/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 11B2, 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
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n/an/a 14n/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 11B2, 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+
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n/an/a 22n/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 11B2, 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-
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n/an/a 141n/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 11B2, 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+
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n/an/a 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: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, 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-
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n/an/a 11n/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 11B2, 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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n/an/a 26n/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 11B2, 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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n/an/a 73n/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 11B2, 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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n/an/a 37n/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 11B2, 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-
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n/an/a 171n/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 11B2, 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-
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n/an/a 92n/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 11B2, mitochondrial


(Homo sapiens (human))
BDBM9921
PNG
(3-(1,2-dihydroacenaphthylen-3-yl)pyridine | acenap...)
Show SMILES C1Cc2c(ccc3cccc1c23)-c1cccnc1
Show InChI InChI=1S/C17H13N/c1-3-12-6-8-15(14-5-2-10-18-11-14)16-9-7-13(4-1)17(12)16/h1-6,8,10-11H,7,9H2
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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...


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 11B2, mitochondrial


(Homo sapiens (human))
BDBM8930
PNG
(4-(6-Methoxy-2-naphthyl)pyridine | 4-(6-methoxynap...)
Show SMILES COc1ccc2cc(ccc2c1)-c1ccncc1
Show InChI InChI=1S/C16H13NO/c1-18-16-5-4-14-10-13(2-3-15(14)11-16)12-6-8-17-9-7-12/h2-11H,1H3
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n/an/an/an/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 11B2, mitochondrial


(Homo sapiens (human))
BDBM8929
PNG
(5-(6-Methoxy-2-naphthyl)pyrimidine | 5-(6-methoxyn...)
Show SMILES COc1ccc2cc(ccc2c1)-c1cncnc1
Show InChI InChI=1S/C15H12N2O/c1-18-15-5-4-11-6-12(2-3-13(11)7-15)14-8-16-10-17-9-14/h2-10H,1H3
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n/an/an/an/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 11B2, mitochondrial


(Homo sapiens (human))
BDBM8920
PNG
(3-[6-(Benzyloxy)-2-naphthyl]pyridine | 3-[6-(benzy...)
Show SMILES C(Oc1ccc2cc(ccc2c1)-c1cccnc1)c1ccccc1
Show InChI InChI=1S/C22H17NO/c1-2-5-17(6-3-1)16-24-22-11-10-18-13-19(8-9-20(18)14-22)21-7-4-12-23-15-21/h1-15H,16H2
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n/an/an/an/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 11B2, mitochondrial


(Homo sapiens (human))
BDBM8921
PNG
(3-(2-methoxy-6-pyridin-3-yl-1-naphthyl)pyridine | ...)
Show SMILES COc1ccc2cc(ccc2c1-c1cccnc1)-c1cccnc1
Show InChI InChI=1S/C21H16N2O/c1-24-20-9-7-16-12-15(17-4-2-10-22-13-17)6-8-19(16)21(20)18-5-3-11-23-14-18/h2-14H,1H3
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n/an/an/an/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 11B2, mitochondrial


(Homo sapiens (human))
BDBM8922
PNG
(3-(3-Methoxy-2-naphthyl)pyridine | 3-(3-methoxynap...)
Show SMILES COc1cc2ccccc2cc1-c1cccnc1
Show InChI InChI=1S/C16H13NO/c1-18-16-10-13-6-3-2-5-12(13)9-15(16)14-7-4-8-17-11-14/h2-11H,1H3
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n/an/an/an/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 11B2, mitochondrial


(Homo sapiens (human))
BDBM8923
PNG
(6-(pyridin-3-yl)naphthalene-2-carboxamide | 6-Pyri...)
Show SMILES NC(=O)c1ccc2cc(ccc2c1)-c1cccnc1
Show InChI InChI=1S/C16H12N2O/c17-16(19)14-6-5-11-8-13(4-3-12(11)9-14)15-2-1-7-18-10-15/h1-10H,(H2,17,19)
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n/an/an/an/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 11B2, mitochondrial


(Homo sapiens (human))
BDBM8924
PNG
(N-Methyl-6-pyridin-3-yl-2-naphthamide | N-methyl-6...)
Show SMILES CNC(=O)c1ccc2cc(ccc2c1)-c1cccnc1
Show InChI InChI=1S/C17H14N2O/c1-18-17(20)15-7-6-12-9-14(5-4-13(12)10-15)16-3-2-8-19-11-16/h2-11H,1H3,(H,18,20)
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n/an/an/an/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 11B2, mitochondrial


(Homo sapiens (human))
BDBM8925
PNG
(3-(pyridin-3-yl)quinoline | 3-Pyridin-3-yl-quinoli...)
Show SMILES c1ccc2ncc(cc2c1)-c1cccnc1
Show InChI InChI=1S/C14H10N2/c1-2-6-14-11(4-1)8-13(10-16-14)12-5-3-7-15-9-12/h1-10H
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n/an/an/an/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 11B2, mitochondrial


(Homo sapiens (human))
BDBM8926
PNG
(2-(pyridin-3-yl)quinoline | 2-Pyridin-3-yl-quinoli...)
Show SMILES c1ccc2nc(ccc2c1)-c1cccnc1
Show InChI InChI=1S/C14H10N2/c1-2-6-13-11(4-1)7-8-14(16-13)12-5-3-9-15-10-12/h1-10H
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n/an/an/an/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 11B2, mitochondrial


(Homo sapiens (human))
BDBM8927
PNG
(2-(pyridin-3-yl)quinoxaline | 2-Pyridin-3-yl-quino...)
Show SMILES c1ccc2nc(cnc2c1)-c1cccnc1
Show InChI InChI=1S/C13H9N3/c1-2-6-12-11(5-1)15-9-13(16-12)10-4-3-7-14-8-10/h1-9H
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n/an/an/an/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 11B2, mitochondrial


(Homo sapiens (human))
BDBM8928
PNG
(5-(2-Naphthyl)-1,3-oxazole | 5-(naphthalen-2-yl)-1...)
Show SMILES c1ncc(o1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C13H9NO/c1-2-4-11-7-12(6-5-10(11)3-1)13-8-14-9-15-13/h1-9H
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n/an/an/an/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 11B2, 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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1.30n/a 2n/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...


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 11B2, 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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2.60n/a 4n/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...


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 11B2, 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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4.60n/a 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...


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 11B2, 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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8.40n/a 13n/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...


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 11B2, mitochondrial


(Homo sapiens (human))
BDBM50323353
PNG
(1-{6-[(S)-1-(4-Chloro-phenyl)-ethyl]-5,5-dioxo-4,5...)
Show SMILES C[C@H](N1Cc2cncn2C(CC(C)(C)O)S1(=O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H22ClN3O3S/c1-12(13-4-6-14(18)7-5-13)21-10-15-9-19-11-20(15)16(25(21,23)24)8-17(2,3)22/h4-7,9,11-12,16,22H,8,10H2,1-3H3/t12-,16?/m0/s1
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n/an/a 11n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2


Bioorg Med Chem Lett 23: 5471-83 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.003
BindingDB Entry DOI: 10.7270/Q2R49S6F
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (human))
BDBM50323351
PNG
(6-[(S)-1-(4-Chloro-phenyl)-ethyl]-4-isobutyl-6,7-d...)
Show SMILES CC(C)CC1n2cncc2CN([C@@H](C)c2ccc(Cl)cc2)S1(=O)=O
Show InChI InChI=1S/C17H22ClN3O2S/c1-12(2)8-17-20-11-19-9-16(20)10-21(24(17,22)23)13(3)14-4-6-15(18)7-5-14/h4-7,9,11-13,17H,8,10H2,1-3H3/t13-,17?/m0/s1
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n/an/a 9.40n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2


Bioorg Med Chem Lett 23: 5471-83 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.003
BindingDB Entry DOI: 10.7270/Q2R49S6F
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(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 67n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells


J Med Chem 53: 5049-53 (2010)


Article DOI: 10.1021/jm100400a
BindingDB Entry DOI: 10.7270/Q2W37X9K
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(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 67n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate


ACS Med Chem Lett 2: 2-6 (2011)


Article DOI: 10.1021/ml100071j
BindingDB Entry DOI: 10.7270/Q28W3DKS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (human))
BDBM8593
PNG
((3-Pyridylmethylene)indane 11a | 3-{[(1E)-5-methox...)
Show SMILES COc1ccc2\C(CCc2c1)=C\c1cccnc1
Show InChI InChI=1S/C16H15NO/c1-18-15-6-7-16-13(4-5-14(16)10-15)9-12-3-2-8-17-11-12/h2-3,6-11H,4-5H2,1H3/b13-9+
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n/an/a 34n/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: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (human))
BDBM8594
PNG
((3-Pyridylmethylene)indane 11b | 3-{[(1Z)-5-methox...)
Show SMILES COc1ccc2\C(CCc2c1)=C/c1cccnc1
Show InChI InChI=1S/C16H15NO/c1-18-15-6-7-16-13(4-5-14(16)10-15)9-12-3-2-8-17-11-12/h2-3,6-11H,4-5H2,1H3/b13-9-
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n/an/a 26n/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: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (human))
BDBM8595
PNG
((3-Pyridylmethylene)tetrahydronaphthalene 13a | 3-...)
Show SMILES COc1ccc2\C(CCCc2c1)=C\c1cccnc1
Show InChI InChI=1S/C17H17NO/c1-19-16-7-8-17-14(5-2-6-15(17)11-16)10-13-4-3-9-18-12-13/h3-4,7-12H,2,5-6H2,1H3/b14-10+
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n/an/a 57n/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: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (human))
BDBM8596
PNG
((3-Pyridylmethylene)tetrahydronaphthalene 13b | 3-...)
Show SMILES COc1ccc2\C(CCCc2c1)=C/c1cccnc1
Show InChI InChI=1S/C17H17NO/c1-19-16-7-8-17-14(5-2-6-15(17)11-16)10-13-4-3-9-18-12-13/h3-4,7-12H,2,5-6H2,1H3/b14-10-
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n/an/a 878n/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: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (human))
BDBM8597
PNG
((3-Pyridylmethylene)indane 19a | 3-{[(1E)-5-ethoxy...)
Show SMILES CCOc1ccc2\C(CCc2c1)=C\c1cccnc1
Show InChI InChI=1S/C17H17NO/c1-2-19-16-7-8-17-14(5-6-15(17)11-16)10-13-4-3-9-18-12-13/h3-4,7-12H,2,5-6H2,1H3/b14-10+
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n/an/a 79n/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: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (human))
BDBM8598
PNG
((3-Pyridylmethylene)indane 19b | 3-{[(1Z)-5-ethoxy...)
Show SMILES CCOc1ccc2\C(CCc2c1)=C/c1cccnc1
Show InChI InChI=1S/C17H17NO/c1-2-19-16-7-8-17-14(5-6-15(17)11-16)10-13-4-3-9-18-12-13/h3-4,7-12H,2,5-6H2,1H3/b14-10-
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n/an/a 248n/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: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (human))
BDBM8599
PNG
((3-Pyridylmethylene)indane 23a | 3-{[(1E)-4-methyl...)
Show SMILES Cc1cccc2\C(CCc12)=C\c1cccnc1
Show InChI InChI=1S/C16H15N/c1-12-4-2-6-16-14(7-8-15(12)16)10-13-5-3-9-17-11-13/h2-6,9-11H,7-8H2,1H3/b14-10+
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n/an/a 108n/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: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (human))
BDBM8600
PNG
((3-Pyridylmethylene)indane 26a | 3-{[(1E)-7-methox...)
Show SMILES COc1cccc2CC\C(=C/c3cccnc3)c12
Show InChI InChI=1S/C16H15NO/c1-18-15-6-2-5-13-7-8-14(16(13)15)10-12-4-3-9-17-11-12/h2-6,9-11H,7-8H2,1H3/b14-10+
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n/an/a 27n/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: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (human))
BDBM8607
PNG
((3-Pyridylmethylene)indane 24a | 3-{[(1E)-4-fluoro...)
Show SMILES Fc1cccc2\C(CCc12)=C\c1cccnc1
Show InChI InChI=1S/C15H12FN/c16-15-5-1-4-13-12(6-7-14(13)15)9-11-3-2-8-17-10-11/h1-5,8-10H,6-7H2/b12-9+
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n/an/a 21n/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: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (human))
BDBM8608
PNG
((3-Pyridylmethylene)indane 25a | 3-{[(1E)-4-chloro...)
Show SMILES Clc1cccc2\C(CCc12)=C\c1cccnc1
Show InChI InChI=1S/C15H12ClN/c16-15-5-1-4-13-12(6-7-14(13)15)9-11-3-2-8-17-10-11/h1-5,8-10H,6-7H2/b12-9+
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n/an/a 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: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (human))
BDBM8609
PNG
((3-Pyridylmethylene)indane 25b | 3-{[(1Z)-4-chloro...)
Show SMILES Clc1cccc2\C(CCc12)=C/c1cccnc1
Show InChI InChI=1S/C15H12ClN/c16-15-5-1-4-13-12(6-7-14(13)15)9-11-3-2-8-17-10-11/h1-5,8-10H,6-7H2/b12-9-
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n/an/a 31n/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: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, 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 81n/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: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
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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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: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (human))
BDBM8615
PNG
((4-Pyridylmethylene)indane 6b | 4-{[(1Z)-5-fluoro-...)
Show SMILES Fc1ccc2\C(CCc2c1)=C/c1ccncc1
Show InChI InChI=1S/C15H12FN/c16-14-3-4-15-12(1-2-13(15)10-14)9-11-5-7-17-8-6-11/h3-10H,1-2H2/b12-9-
PDB

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PubMed
n/an/a 34n/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: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (human))
BDBM8612
PNG
((4-Pyridylmethylene)indane 2b | 4-[(1Z)-2,3-dihydr...)
Show SMILES C1Cc2ccccc2\C1=C/c1ccncc1
Show InChI InChI=1S/C15H13N/c1-2-4-15-13(3-1)5-6-14(15)11-12-7-9-16-10-8-12/h1-4,7-11H,5-6H2/b14-11-
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PubMed
n/an/a 931n/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: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (human))
BDBM8618
PNG
((4-Pyridylmethylene)indane 8a | 4-{[(1E)-5-chloro-...)
Show SMILES Clc1ccc2\C(CCc2c1)=C\c1ccncc1
Show InChI InChI=1S/C15H12ClN/c16-14-3-4-15-12(1-2-13(15)10-14)9-11-5-7-17-8-6-11/h3-10H,1-2H2/b12-9+
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PubMed
n/an/a 1.52E+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: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (human))
BDBM8619
PNG
((4-Pyridylmethylene)indane 8b | 4-{[(1Z)-5-chloro-...)
Show SMILES Clc1ccc2\C(CCc2c1)=C/c1ccncc1
Show InChI InChI=1S/C15H12ClN/c16-14-3-4-15-12(1-2-13(15)10-14)9-11-5-7-17-8-6-11/h3-10H,1-2H2/b12-9-
PDB

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PubMed
n/an/a 301n/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: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (human))
BDBM8620
PNG
((4-Pyridylmethylene)indane 10a | 4-{[(1E)-5-bromo-...)
Show SMILES Brc1ccc2\C(CCc2c1)=C\c1ccncc1
Show InChI InChI=1S/C15H12BrN/c16-14-3-4-15-12(1-2-13(15)10-14)9-11-5-7-17-8-6-11/h3-10H,1-2H2/b12-9+
PDB

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PubMed
n/an/a 2.64E+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: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (human))
BDBM8621
PNG
((4-Pyridylmethylene)indane 10b | 4-{[(1Z)-5-bromo-...)
Show SMILES Brc1ccc2\C(CCc2c1)=C/c1ccncc1
Show InChI InChI=1S/C15H12BrN/c16-14-3-4-15-12(1-2-13(15)10-14)9-11-5-7-17-8-6-11/h3-10H,1-2H2/b12-9-
PDB

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Article
PubMed
n/an/a 484n/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: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
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