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PubMed code 25176013

Compile data set for download or QSAR
Found 70 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))		BDBM50023759
PNG
(CHEMBL3337672)
Show SMILES COc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C18H16N2O3S/c1-23-17-5-2-6-18(12-17)24(21,22)20-16-9-7-14(8-10-16)15-4-3-11-19-13-15/h2-13,20H,1H3
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50023770
PNG
(CHEMBL3337693)
Show SMILES O=S(=O)(C1CCCCC1)N1CCCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C20H24N2O2S/c23-25(24,19-8-2-1-3-9-19)22-13-5-7-17-14-16(10-11-20(17)22)18-6-4-12-21-15-18/h4,6,10-12,14-15,19H,1-3,5,7-9,13H2
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50019874
PNG
(CHEMBL3287169)
Show SMILES CC(=O)N1CCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C15H14N2O/c1-11(18)17-8-6-13-9-12(4-5-15(13)17)14-3-2-7-16-10-14/h2-5,7,9-10H,6,8H2,1H3
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50023775
PNG
(CHEMBL3337664)
Show SMILES COc1cccc(c1)S(=O)(=O)N1CCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C20H18N2O3S/c1-25-18-5-2-6-19(13-18)26(23,24)22-11-9-16-12-15(7-8-20(16)22)17-4-3-10-21-14-17/h2-8,10,12-14H,9,11H2,1H3
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50023777
PNG
(CHEMBL3337668)
Show SMILES CC(C)S(=O)(=O)N1CCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C16H18N2O2S/c1-12(2)21(19,20)18-9-7-14-10-13(5-6-16(14)18)15-4-3-8-17-11-15/h3-6,8,10-12H,7,9H2,1-2H3
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50023764
PNG
(CHEMBL3337686)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N1CCCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C20H17ClN2O2S/c21-18-6-8-19(9-7-18)26(24,25)23-12-2-4-16-13-15(5-10-20(16)23)17-3-1-11-22-14-17/h1,3,5-11,13-14H,2,4,12H2
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50023771
PNG
(CHEMBL3337695)
Show SMILES COc1cccc(c1)S(=O)(=O)N1CCCc2cc(Cc3cccnc3)ccc12
Show InChI InChI=1S/C22H22N2O3S/c1-27-20-7-2-8-21(15-20)28(25,26)24-12-4-6-19-14-17(9-10-22(19)24)13-18-5-3-11-23-16-18/h2-3,5,7-11,14-16H,4,6,12-13H2,1H3
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50023761
PNG
(CHEMBL3337665)
Show SMILES Fc1cccc(c1)S(=O)(=O)N1CCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C19H15FN2O2S/c20-17-4-1-5-18(12-17)25(23,24)22-10-8-15-11-14(6-7-19(15)22)16-3-2-9-21-13-16/h1-7,9,11-13H,8,10H2
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50023772
PNG
(CHEMBL3337680)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C21H20N2O2S/c1-16-6-9-20(10-7-16)26(24,25)23-13-3-5-18-14-17(8-11-21(18)23)19-4-2-12-22-15-19/h2,4,6-12,14-15H,3,5,13H2,1H3
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50023786
PNG
(CHEMBL3337681)
Show SMILES FC(F)(F)Oc1cccc(c1)S(=O)(=O)N1CCCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C21H17F3N2O3S/c22-21(23,24)29-18-6-1-7-19(13-18)30(27,28)26-11-3-5-16-12-15(8-9-20(16)26)17-4-2-10-25-14-17/h1-2,4,6-10,12-14H,3,5,11H2
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50023788
PNG
(CHEMBL3337669)
Show SMILES CC(C)CS(=O)(=O)N1CCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C17H20N2O2S/c1-13(2)12-22(20,21)19-9-7-15-10-14(5-6-17(15)19)16-4-3-8-18-11-16/h3-6,8,10-11,13H,7,9,12H2,1-2H3
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50023789
PNG
(CHEMBL3337684)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C20H17FN2O2S/c21-18-6-8-19(9-7-18)26(24,25)23-12-2-4-16-13-15(5-10-20(16)23)17-3-1-11-22-14-17/h1,3,5-11,13-14H,2,4,12H2
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50023784
PNG
(CHEMBL3337692)
Show SMILES O=S(=O)(N1CCCc2cc(ccc12)-c1cccnc1)c1ccc2ccccc2c1
Show InChI InChI=1S/C24H20N2O2S/c27-29(28,23-11-9-18-5-1-2-6-19(18)16-23)26-14-4-8-21-15-20(10-12-24(21)26)22-7-3-13-25-17-22/h1-3,5-7,9-13,15-17H,4,8,14H2
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50023767
PNG
(CHEMBL3337670)
Show SMILES COc1cccc(c1)S(=O)(=O)N1CCc2cc(cnc12)-c1ccncc1
Show InChI InChI=1S/C19H17N3O3S/c1-25-17-3-2-4-18(12-17)26(23,24)22-10-7-15-11-16(13-21-19(15)22)14-5-8-20-9-6-14/h2-6,8-9,11-13H,7,10H2,1H3
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50023780
PNG
(CHEMBL3337675)
Show SMILES COc1cccc(c1)S(=O)(=O)N1CCCc2cc(ccc12)-c1ccncc1
Show InChI InChI=1S/C21H20N2O3S/c1-26-19-5-2-6-20(15-19)27(24,25)23-13-3-4-18-14-17(7-8-21(18)23)16-9-11-22-12-10-16/h2,5-12,14-15H,3-4,13H2,1H3
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50023768
PNG
(CHEMBL3337689)
Show SMILES O=S(=O)(N1CCCc2cc(ccc12)-c1cccnc1)c1cccc(c1)C#N
Show InChI InChI=1S/C21H17N3O2S/c22-14-16-4-1-7-20(12-16)27(25,26)24-11-3-6-18-13-17(8-9-21(18)24)19-5-2-10-23-15-19/h1-2,4-5,7-10,12-13,15H,3,6,11H2
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50023778
PNG
(CHEMBL3337666)
Show SMILES CS(=O)(=O)N1CCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C14H14N2O2S/c1-19(17,18)16-8-6-12-9-11(4-5-14(12)16)13-3-2-7-15-10-13/h2-5,7,9-10H,6,8H2,1H3
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50019883
PNG
(CHEMBL3286405)
Show SMILES COc1cccc(c1)C(=O)N1CCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C21H18N2O2/c1-25-19-6-2-4-17(13-19)21(24)23-11-9-16-12-15(7-8-20(16)23)18-5-3-10-22-14-18/h2-8,10,12-14H,9,11H2,1H3
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50023781
PNG
(CHEMBL3337677)
Show SMILES O=S(=O)(N1CCCc2cc(ccc12)-c1cccnc1)c1ccccc1
Show InChI InChI=1S/C20H18N2O2S/c23-25(24,19-8-2-1-3-9-19)22-13-5-7-17-14-16(10-11-20(17)22)18-6-4-12-21-15-18/h1-4,6,8-12,14-15H,5,7,13H2
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50023787
PNG
(CHEMBL3337690)
Show SMILES O=S(=O)(N1CCCc2cc(ccc12)-c1cccnc1)c1ccc(cc1)C#N
Show InChI InChI=1S/C21H17N3O2S/c22-14-16-5-8-20(9-6-16)27(25,26)24-12-2-4-18-13-17(7-10-21(18)24)19-3-1-11-23-15-19/h1,3,5-11,13,15H,2,4,12H2
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50023779
PNG
(CHEMBL3337688)
Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)N1CCCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C21H17F3N2O2S/c22-21(23,24)18-6-8-19(9-7-18)29(27,28)26-12-2-4-16-13-15(5-10-20(16)26)17-3-1-11-25-14-17/h1,3,5-11,13-14H,2,4,12H2
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50023762
PNG
(CHEMBL3337682)
Show SMILES FC(F)(F)Oc1ccc(cc1)S(=O)(=O)N1CCCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C21H17F3N2O3S/c22-21(23,24)29-18-6-8-19(9-7-18)30(27,28)26-12-2-4-16-13-15(5-10-20(16)26)17-3-1-11-25-14-17/h1,3,5-11,13-14H,2,4,12H2
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50023766
PNG
(CHEMBL3337683)
Show SMILES Fc1cccc(c1)S(=O)(=O)N1CCCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C20H17FN2O2S/c21-18-6-1-7-19(13-18)26(24,25)23-11-3-5-16-12-15(8-9-20(16)23)17-4-2-10-22-14-17/h1-2,4,6-10,12-14H,3,5,11H2
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50023782
PNG
(CHEMBL3337678)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C21H20N2O3S/c1-26-19-7-9-20(10-8-19)27(24,25)23-13-3-5-17-14-16(6-11-21(17)23)18-4-2-12-22-15-18/h2,4,6-12,14-15H,3,5,13H2,1H3
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50023758
PNG
(CHEMBL3337685)
Show SMILES Clc1cccc(c1)S(=O)(=O)N1CCCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C20H17ClN2O2S/c21-18-6-1-7-19(13-18)26(24,25)23-11-3-5-16-12-15(8-9-20(16)23)17-4-2-10-22-14-17/h1-2,4,6-10,12-14H,3,5,11H2
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50023760
PNG
(CHEMBL3337667)
Show SMILES CCS(=O)(=O)N1CCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C15H16N2O2S/c1-2-20(18,19)17-9-7-13-10-12(5-6-15(13)17)14-4-3-8-16-11-14/h3-6,8,10-11H,2,7,9H2,1H3
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50023771
PNG
(CHEMBL3337695)
Show SMILES COc1cccc(c1)S(=O)(=O)N1CCCc2cc(Cc3cccnc3)ccc12
Show InChI InChI=1S/C22H22N2O3S/c1-27-20-7-2-8-21(15-20)28(25,26)24-12-4-6-19-14-17(9-10-22(19)24)13-18-5-3-11-23-16-18/h2-3,5,7-11,14-16H,4,6,12-13H2,1H3
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50023785
PNG
(CHEMBL3337691)
Show SMILES O=S(=O)(N1CCCc2cc(ccc12)-c1cccnc1)c1cccs1
Show InChI InChI=1S/C18H16N2O2S2/c21-24(22,18-6-3-11-23-18)20-10-2-5-15-12-14(7-8-17(15)20)16-4-1-9-19-13-16/h1,3-4,6-9,11-13H,2,5,10H2
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50023774
PNG
(CHEMBL3337671)
Show SMILES COc1cccc(c1)S(=O)(=O)N1CCc2cc(cnc12)-c1cccnc1
Show InChI InChI=1S/C19H17N3O3S/c1-25-17-5-2-6-18(11-17)26(23,24)22-9-7-14-10-16(13-21-19(14)22)15-4-3-8-20-12-15/h2-6,8,10-13H,7,9H2,1H3
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50023763
PNG
(CHEMBL3337694)
Show SMILES COc1cccc(c1)S(=O)(=O)N1CCCc2cc(Cc3ccncc3)ccc12
Show InChI InChI=1S/C22H22N2O3S/c1-27-20-5-2-6-21(16-20)28(25,26)24-13-3-4-19-15-18(7-8-22(19)24)14-17-9-11-23-12-10-17/h2,5-12,15-16H,3-4,13-14H2,1H3
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50023773
PNG
(CHEMBL3337679)
Show SMILES Cc1cccc(c1)S(=O)(=O)N1CCCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C21H20N2O2S/c1-16-5-2-8-20(13-16)26(24,25)23-12-4-7-18-14-17(9-10-21(18)23)19-6-3-11-22-15-19/h2-3,5-6,8-11,13-15H,4,7,12H2,1H3
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50023765
PNG
(CHEMBL3337673)
Show SMILES COc1cccc(c1)S(=O)(=O)N(C)c1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C19H18N2O3S/c1-21(25(22,23)19-7-3-6-18(13-19)24-2)17-10-8-15(9-11-17)16-5-4-12-20-14-16/h3-14H,1-2H3
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50023776
PNG
(CHEMBL3337674)
Show SMILES COc1cccc(c1)S(=O)(=O)N(Cc1ccccc1)c1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C25H22N2O3S/c1-30-24-10-5-11-25(17-24)31(28,29)27(19-20-7-3-2-4-8-20)23-14-12-21(13-15-23)22-9-6-16-26-18-22/h2-18H,19H2,1H3
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50028166
PNG
(CHEMBL934 | METYRAPONE | US9138393, Metyrapone | U...)
Show SMILES CC(C)(C(=O)c1cccnc1)c1cccnc1
Show InChI InChI=1S/C14H14N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50023783
PNG
(CHEMBL3337687)
Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)N1CCCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C21H17F3N2O2S/c22-21(23,24)18-6-1-7-19(13-18)29(27,28)26-11-3-5-16-12-15(8-9-20(16)26)17-4-2-10-25-14-17/h1-2,4,6-10,12-14H,3,5,11H2
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50023769
PNG
(CHEMBL3337676)
Show SMILES COc1cccc(c1)S(=O)(=O)N1CCCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C21H20N2O3S/c1-26-19-7-2-8-20(14-19)27(24,25)23-12-4-6-17-13-16(9-10-21(17)23)18-5-3-11-22-15-18/h2-3,5,7-11,13-15H,4,6,12H2,1H3
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50023763
PNG
(CHEMBL3337694)
Show SMILES COc1cccc(c1)S(=O)(=O)N1CCCc2cc(Cc3ccncc3)ccc12
Show InChI InChI=1S/C22H22N2O3S/c1-27-20-5-2-6-21(16-20)28(25,26)24-13-3-4-19-15-18(7-8-22(19)24)14-17-9-11-23-12-10-17/h2,5-12,15-16H,3-4,13-14H2,1H3
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50028166
PNG
(CHEMBL934 | METYRAPONE | US9138393, Metyrapone | U...)
Show SMILES CC(C)(C(=O)c1cccnc1)c1cccnc1
Show InChI InChI=1S/C14H14N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50023773
PNG
(CHEMBL3337679)
Show SMILES Cc1cccc(c1)S(=O)(=O)N1CCCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C21H20N2O2S/c1-16-5-2-8-20(13-16)26(24,25)23-12-4-7-18-14-17(9-10-21(18)23)19-6-3-11-22-15-19/h2-3,5-6,8-11,13-15H,4,7,12H2,1H3
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50023769
PNG
(CHEMBL3337676)
Show SMILES COc1cccc(c1)S(=O)(=O)N1CCCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C21H20N2O3S/c1-26-19-7-2-8-20(14-19)27(24,25)23-12-4-6-17-13-16(9-10-21(17)23)18-5-3-11-22-15-18/h2-3,5,7-11,13-15H,4,6,12H2,1H3
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Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50023789
PNG
(CHEMBL3337684)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C20H17FN2O2S/c21-18-6-8-19(9-7-18)26(24,25)23-12-2-4-16-13-15(5-10-20(16)23)17-3-1-11-22-14-17/h1,3,5-11,13-14H,2,4,12H2
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n/an/a 49n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50023785
PNG
(CHEMBL3337691)
Show SMILES O=S(=O)(N1CCCc2cc(ccc12)-c1cccnc1)c1cccs1
Show InChI InChI=1S/C18H16N2O2S2/c21-24(22,18-6-3-11-23-18)20-10-2-5-15-12-14(7-8-17(15)20)16-4-1-9-19-13-16/h1,3-4,6-9,11-13H,2,5,10H2
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n/an/a 60n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50023758
PNG
(CHEMBL3337685)
Show SMILES Clc1cccc(c1)S(=O)(=O)N1CCCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C20H17ClN2O2S/c21-18-6-1-7-19(13-18)26(24,25)23-11-3-5-16-12-15(8-9-20(16)23)17-4-2-10-22-14-17/h1-2,4,6-10,12-14H,3,5,11H2
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n/an/a 62n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50023781
PNG
(CHEMBL3337677)
Show SMILES O=S(=O)(N1CCCc2cc(ccc12)-c1cccnc1)c1ccccc1
Show InChI InChI=1S/C20H18N2O2S/c23-25(24,19-8-2-1-3-9-19)22-13-5-7-17-14-16(10-11-20(17)22)18-6-4-12-21-15-18/h1-4,6,8-12,14-15H,5,7,13H2
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n/an/a 65n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50023768
PNG
(CHEMBL3337689)
Show SMILES O=S(=O)(N1CCCc2cc(ccc12)-c1cccnc1)c1cccc(c1)C#N
Show InChI InChI=1S/C21H17N3O2S/c22-14-16-4-1-7-20(12-16)27(25,26)24-11-3-6-18-13-17(8-9-21(18)24)19-5-2-10-23-15-19/h1-2,4-5,7-10,12-13,15H,3,6,11H2
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n/an/a 65n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50023765
PNG
(CHEMBL3337673)
Show SMILES COc1cccc(c1)S(=O)(=O)N(C)c1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C19H18N2O3S/c1-21(25(22,23)19-7-3-6-18(13-19)24-2)17-10-8-15(9-11-17)16-5-4-12-20-14-16/h3-14H,1-2H3
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n/an/a 68n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50023766
PNG
(CHEMBL3337683)
Show SMILES Fc1cccc(c1)S(=O)(=O)N1CCCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C20H17FN2O2S/c21-18-6-1-7-19(13-18)26(24,25)23-11-3-5-16-12-15(8-9-20(16)23)17-4-2-10-22-14-17/h1-2,4,6-10,12-14H,3,5,11H2
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n/an/a 71n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50023775
PNG
(CHEMBL3337664)
Show SMILES COc1cccc(c1)S(=O)(=O)N1CCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C20H18N2O3S/c1-25-18-5-2-6-19(13-18)26(23,24)22-11-9-16-12-15(7-8-20(16)22)17-4-3-10-21-14-17/h2-8,10,12-14H,9,11H2,1H3
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n/an/a 111n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50023787
PNG
(CHEMBL3337690)
Show SMILES O=S(=O)(N1CCCc2cc(ccc12)-c1cccnc1)c1ccc(cc1)C#N
Show InChI InChI=1S/C21H17N3O2S/c22-14-16-5-8-20(9-6-16)27(25,26)24-12-2-4-18-13-17(7-10-21(18)24)19-3-1-11-23-15-19/h1,3,5-11,13,15H,2,4,12H2
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n/an/a 114n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50023764
PNG
(CHEMBL3337686)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N1CCCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C20H17ClN2O2S/c21-18-6-8-19(9-7-18)26(24,25)23-12-2-4-16-13-15(5-10-20(16)23)17-3-1-11-22-14-17/h1,3,5-11,13-14H,2,4,12H2
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n/an/a 137n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50023759
PNG
(CHEMBL3337672)
Show SMILES COc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C18H16N2O3S/c1-23-17-5-2-6-18(12-17)24(21,22)20-16-9-7-14(8-10-16)15-4-3-11-19-13-15/h2-13,20H,1H3
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n/an/a 188n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50023772
PNG
(CHEMBL3337680)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C21H20N2O2S/c1-16-6-9-20(10-7-16)26(24,25)23-13-3-5-18-14-17(8-11-21(18)23)19-4-2-12-22-15-19/h2,4,6-12,14-15H,3,5,13H2,1H3
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n/an/a 278n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50023783
PNG
(CHEMBL3337687)
Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)N1CCCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C21H17F3N2O2S/c22-21(23,24)18-6-1-7-19(13-18)29(27,28)26-11-3-5-16-12-15(8-9-20(16)26)17-4-2-10-25-14-17/h1-2,4,6-10,12-14H,3,5,11H2
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n/an/a 309n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50023761
PNG
(CHEMBL3337665)
Show SMILES Fc1cccc(c1)S(=O)(=O)N1CCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C19H15FN2O2S/c20-17-4-1-5-18(12-17)25(23,24)22-10-8-15-11-14(6-7-19(15)22)16-3-2-9-21-13-16/h1-7,9,11-13H,8,10H2
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n/an/a 327n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50023782
PNG
(CHEMBL3337678)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C21H20N2O3S/c1-26-19-7-9-20(10-8-19)27(24,25)23-13-3-5-17-14-16(6-11-21(17)23)18-4-2-12-22-15-18/h2,4,6-12,14-15H,3,5,13H2,1H3
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n/an/a 334n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50023786
PNG
(CHEMBL3337681)
Show SMILES FC(F)(F)Oc1cccc(c1)S(=O)(=O)N1CCCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C21H17F3N2O3S/c22-21(23,24)29-18-6-1-7-19(13-18)30(27,28)26-11-3-5-16-12-15(8-9-20(16)26)17-4-2-10-25-14-17/h1-2,4,6-10,12-14H,3,5,11H2
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n/an/a 382n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50023777
PNG
(CHEMBL3337668)
Show SMILES CC(C)S(=O)(=O)N1CCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C16H18N2O2S/c1-12(2)21(19,20)18-9-7-14-10-13(5-6-16(14)18)15-4-3-8-17-11-15/h3-6,8,10-12H,7,9H2,1-2H3
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n/an/a 499n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50023774
PNG
(CHEMBL3337671)
Show SMILES COc1cccc(c1)S(=O)(=O)N1CCc2cc(cnc12)-c1cccnc1
Show InChI InChI=1S/C19H17N3O3S/c1-25-17-5-2-6-18(11-17)26(23,24)22-9-7-14-10-16(13-21-19(14)22)15-4-3-8-20-12-15/h2-6,8,10-13H,7,9H2,1H3
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n/an/a 587n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50023784
PNG
(CHEMBL3337692)
Show SMILES O=S(=O)(N1CCCc2cc(ccc12)-c1cccnc1)c1ccc2ccccc2c1
Show InChI InChI=1S/C24H20N2O2S/c27-29(28,23-11-9-18-5-1-2-6-19(18)16-23)26-14-4-8-21-15-20(10-12-24(21)26)22-7-3-13-25-17-22/h1-3,5-7,9-13,15-17H,4,8,14H2
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n/an/a 663n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50023760
PNG
(CHEMBL3337667)
Show SMILES CCS(=O)(=O)N1CCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C15H16N2O2S/c1-2-20(18,19)17-9-7-13-10-12(5-6-15(13)17)14-4-3-8-16-11-14/h3-6,8,10-11H,2,7,9H2,1H3
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n/an/a 690n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50023762
PNG
(CHEMBL3337682)
Show SMILES FC(F)(F)Oc1ccc(cc1)S(=O)(=O)N1CCCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C21H17F3N2O3S/c22-21(23,24)29-18-6-8-19(9-7-18)30(27,28)26-12-2-4-16-13-15(5-10-20(16)26)17-3-1-11-25-14-17/h1,3,5-11,13-14H,2,4,12H2
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n/an/a 929n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50023770
PNG
(CHEMBL3337693)
Show SMILES O=S(=O)(C1CCCCC1)N1CCCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C20H24N2O2S/c23-25(24,19-8-2-1-3-9-19)22-13-5-7-17-14-16(10-11-20(17)22)18-6-4-12-21-15-18/h4,6,10-12,14-15,19H,1-3,5,7-9,13H2
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n/an/a 1.17E+3n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50023779
PNG
(CHEMBL3337688)
Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)N1CCCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C21H17F3N2O2S/c22-21(23,24)18-6-8-19(9-7-18)29(27,28)26-12-2-4-16-13-15(5-10-20(16)26)17-3-1-11-25-14-17/h1,3,5-11,13-14H,2,4,12H2
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n/an/a 1.22E+3n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50023778
PNG
(CHEMBL3337666)
Show SMILES CS(=O)(=O)N1CCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C14H14N2O2S/c1-19(17,18)16-8-6-12-9-11(4-5-14(12)16)13-3-2-7-15-10-13/h2-5,7,9-10H,6,8H2,1H3
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n/an/a 1.67E+3n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50023767
PNG
(CHEMBL3337670)
Show SMILES COc1cccc(c1)S(=O)(=O)N1CCc2cc(cnc12)-c1ccncc1
Show InChI InChI=1S/C19H17N3O3S/c1-25-17-3-2-4-18(12-17)26(23,24)22-10-7-15-11-16(13-21-19(15)22)14-5-8-20-9-6-14/h2-6,8-9,11-13H,7,10H2,1H3
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n/an/a 1.75E+3n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50023776
PNG
(CHEMBL3337674)
Show SMILES COc1cccc(c1)S(=O)(=O)N(Cc1ccccc1)c1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C25H22N2O3S/c1-30-24-10-5-11-25(17-24)31(28,29)27(19-20-7-3-2-4-8-20)23-14-12-21(13-15-23)22-9-6-16-26-18-22/h2-18H,19H2,1H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50023788
PNG
(CHEMBL3337669)
Show SMILES CC(C)CS(=O)(=O)N1CCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C17H20N2O2S/c1-13(2)12-22(20,21)19-9-7-15-10-14(5-6-17(15)19)16-4-3-8-18-11-16/h3-6,8,10-11,13H,7,9,12H2,1-2H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50019883
PNG
(CHEMBL3286405)
Show SMILES COc1cccc(c1)C(=O)N1CCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C21H18N2O2/c1-25-19-6-2-4-17(13-19)21(24)23-11-9-16-12-15(7-8-20(16)23)18-5-3-10-22-14-18/h2-8,10,12-14H,9,11H2,1H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50019874
PNG
(CHEMBL3287169)
Show SMILES CC(=O)N1CCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C15H14N2O/c1-11(18)17-8-6-13-9-12(4-5-15(13)17)14-3-2-7-16-10-14/h2-5,7,9-10H,6,8H2,1H3
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n/an/a 2.85E+3n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50023780
PNG
(CHEMBL3337675)
Show SMILES COc1cccc(c1)S(=O)(=O)N1CCCc2cc(ccc12)-c1ccncc1
Show InChI InChI=1S/C21H20N2O3S/c1-26-19-5-2-6-20(15-19)27(24,25)23-13-3-4-18-14-17(7-8-21(18)23)16-9-11-22-12-10-16/h2,5-12,14-15H,3-4,13H2,1H3
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n/an/a>5.00E+3n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate

J Med Chem 57: 7811-7 (2014)


Article DOI: 10.1021/jm501004t
BindingDB Entry DOI: 10.7270/Q2TQ634M
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%