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Compile Data Set for Download or QSAR

Found 23 hits of ph data 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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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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Article
PubMed
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
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Ligand-Target Pair