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PubMed code 23869452

Compile data set for download or QSAR
Found 67 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))		BDBM50439060
PNG
(CHEMBL2417616)
Show SMILES C(c1ccc(nc1)-c1ccccc1)c1cncc(c1)-c1ccccc1
Show InChI InChI=1S/C23H18N2/c1-3-7-20(8-4-1)22-14-19(15-24-17-22)13-18-11-12-23(25-16-18)21-9-5-2-6-10-21/h1-12,14-17H,13H2
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n/an/a 0.5n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50439060
PNG
(CHEMBL2417616)
Show SMILES C(c1ccc(nc1)-c1ccccc1)c1cncc(c1)-c1ccccc1
Show InChI InChI=1S/C23H18N2/c1-3-7-20(8-4-1)22-14-19(15-24-17-22)13-18-11-12-23(25-16-18)21-9-5-2-6-10-21/h1-12,14-17H,13H2
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n/an/a 1.30n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50439057
PNG
(CHEMBL2417553)
Show SMILES Cc1cncc(Cc2ccc(nc2)-c2ccccc2)c1
Show InChI InChI=1S/C18H16N2/c1-14-9-16(12-19-11-14)10-15-7-8-18(20-13-15)17-5-3-2-4-6-17/h2-9,11-13H,10H2,1H3
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n/an/a 2n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50439062
PNG
(CHEMBL2417614)
Show SMILES COc1cncc(Cc2ccc(nc2)-c2ccccc2)c1
Show InChI InChI=1S/C18H16N2O/c1-21-17-10-15(11-19-13-17)9-14-7-8-18(20-12-14)16-5-3-2-4-6-16/h2-8,10-13H,9H2,1H3
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n/an/a 5n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50439068
PNG
(CHEMBL2417635)
Show SMILES C(c1ccc(nc1)-c1ccccc1)c1cncc2ccccc12
Show InChI InChI=1S/C21H16N2/c1-2-6-17(7-3-1)21-11-10-16(13-23-21)12-19-15-22-14-18-8-4-5-9-20(18)19/h1-11,13-15H,12H2
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n/an/a 6n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50439066
PNG
(CHEMBL2417637)
Show SMILES Cc1ccncc1Cc1ccc(nc1)-c1ccccc1
Show InChI InChI=1S/C18H16N2/c1-14-9-10-19-13-17(14)11-15-7-8-18(20-12-15)16-5-3-2-4-6-16/h2-10,12-13H,11H2,1H3
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n/an/a 8n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50439077
PNG
(CHEMBL2417626)
Show SMILES C1CC1C(c1ccc(nc1)-c1ccsc1)n1ccnc1
Show InChI InChI=1S/C16H15N3S/c1-2-12(1)16(19-7-6-17-11-19)13-3-4-15(18-9-13)14-5-8-20-10-14/h3-12,16H,1-2H2
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n/an/a 11n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50439081
PNG
(CHEMBL2417622)
Show SMILES CC(C)C(c1ccc(nc1)-c1ccccc1)n1ccnc1
Show InChI InChI=1S/C18H19N3/c1-14(2)18(21-11-10-19-13-21)16-8-9-17(20-12-16)15-6-4-3-5-7-15/h3-14,18H,1-2H3
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n/an/a 12n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
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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n/an/a 15n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50439066
PNG
(CHEMBL2417637)
Show SMILES Cc1ccncc1Cc1ccc(nc1)-c1ccccc1
Show InChI InChI=1S/C18H16N2/c1-14-9-10-19-13-17(14)11-15-7-8-18(20-12-15)16-5-3-2-4-6-16/h2-10,12-13H,11H2,1H3
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n/an/a 19n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50439082
PNG
(CHEMBL2417621)
Show SMILES C1CC1C(c1ccc(nc1)-c1ccccc1)n1ccnc1
Show InChI InChI=1S/C18H17N3/c1-2-4-14(5-3-1)17-9-8-16(12-20-17)18(15-6-7-15)21-11-10-19-13-21/h1-5,8-13,15,18H,6-7H2
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n/an/a 21n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50439078
PNG
(CHEMBL2417625)
Show SMILES CC(c1ccc(nc1)-c1ccsc1)n1ccnc1
Show InChI InChI=1S/C14H13N3S/c1-11(17-6-5-15-10-17)12-2-3-14(16-8-12)13-4-7-18-9-13/h2-11H,1H3
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n/an/a 21n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50439068
PNG
(CHEMBL2417635)
Show SMILES C(c1ccc(nc1)-c1ccccc1)c1cncc2ccccc12
Show InChI InChI=1S/C21H16N2/c1-2-6-17(7-3-1)21-11-10-16(13-23-21)12-19-15-22-14-18-8-4-5-9-20(18)19/h1-11,13-15H,12H2
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n/an/a 23n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50439082
PNG
(CHEMBL2417621)
Show SMILES C1CC1C(c1ccc(nc1)-c1ccccc1)n1ccnc1
Show InChI InChI=1S/C18H17N3/c1-2-4-14(5-3-1)17-9-8-16(12-20-17)18(15-6-7-15)21-11-10-19-13-21/h1-5,8-13,15,18H,6-7H2
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n/an/a 25n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50439062
PNG
(CHEMBL2417614)
Show SMILES COc1cncc(Cc2ccc(nc2)-c2ccccc2)c1
Show InChI InChI=1S/C18H16N2O/c1-21-17-10-15(11-19-13-17)9-14-7-8-18(20-12-14)16-5-3-2-4-6-16/h2-8,10-13H,9H2,1H3
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n/an/a 25n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50439081
PNG
(CHEMBL2417622)
Show SMILES CC(C)C(c1ccc(nc1)-c1ccccc1)n1ccnc1
Show InChI InChI=1S/C18H19N3/c1-14(2)18(21-11-10-19-13-21)16-8-9-17(20-12-16)15-6-4-3-5-7-15/h3-14,18H,1-2H3
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n/an/a 28n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50439083
PNG
(CHEMBL2417620)
Show SMILES CCC(c1ccc(nc1)-c1ccccc1)n1ccnc1
Show InChI InChI=1S/C17H17N3/c1-2-17(20-11-10-18-13-20)15-8-9-16(19-12-15)14-6-4-3-5-7-14/h3-13,17H,2H2,1H3
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n/an/a 28n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50439077
PNG
(CHEMBL2417626)
Show SMILES C1CC1C(c1ccc(nc1)-c1ccsc1)n1ccnc1
Show InChI InChI=1S/C16H15N3S/c1-2-12(1)16(19-7-6-17-11-19)13-3-4-15(18-9-13)14-5-8-20-10-14/h3-12,16H,1-2H2
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n/an/a 31n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50439070
PNG
(CHEMBL2417633)
Show SMILES C(c1cccnc1)c1ccc(nc1)-c1ccccc1
Show InChI InChI=1S/C17H14N2/c1-2-6-16(7-3-1)17-9-8-15(13-19-17)11-14-5-4-10-18-12-14/h1-10,12-13H,11H2
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n/an/a 32n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50439057
PNG
(CHEMBL2417553)
Show SMILES Cc1cncc(Cc2ccc(nc2)-c2ccccc2)c1
Show InChI InChI=1S/C18H16N2/c1-14-9-16(12-19-11-14)10-15-7-8-18(20-13-15)17-5-3-2-4-6-17/h2-9,11-13H,10H2,1H3
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n/an/a 33n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50439084
PNG
(CHEMBL2417619)
Show SMILES CC(c1ccc(nc1)-c1ccccc1)n1ccnc1
Show InChI InChI=1S/C16H15N3/c1-13(19-10-9-17-12-19)15-7-8-16(18-11-15)14-5-3-2-4-6-14/h2-13H,1H3
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n/an/a 33n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50439063
PNG
(CHEMBL2417613)
Show SMILES FC(F)(F)c1cncc(Cc2ccc(nc2)-c2ccccc2)c1
Show InChI InChI=1S/C18H13F3N2/c19-18(20,21)16-9-14(10-22-12-16)8-13-6-7-17(23-11-13)15-4-2-1-3-5-15/h1-7,9-12H,8H2
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n/an/a 38n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
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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n/an/a 42n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50439061
PNG
(CHEMBL2417615)
Show SMILES Oc1cncc(Cc2ccc(nc2)-c2ccccc2)c1
Show InChI InChI=1S/C17H14N2O/c20-16-9-14(10-18-12-16)8-13-6-7-17(19-11-13)15-4-2-1-3-5-15/h1-7,9-12,20H,8H2
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n/an/a 51n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50439076
PNG
(CHEMBL2417627)
Show SMILES CC(c1ccc(nc1)-c1cccc2ccccc12)n1ccnc1
Show InChI InChI=1S/C20H17N3/c1-15(23-12-11-21-14-23)17-9-10-20(22-13-17)19-8-4-6-16-5-2-3-7-18(16)19/h2-15H,1H3
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n/an/a 60n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50378937
PNG
(CHEMBL2011253 | US9394290, 23)
Show SMILES C(c1ccc(nc1)-c1cccc2ccccc12)n1ccnc1
Show InChI InChI=1S/C19H15N3/c1-2-6-17-16(4-1)5-3-7-18(17)19-9-8-15(12-21-19)13-22-11-10-20-14-22/h1-12,14H,13H2
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n/an/a 68n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50439080
PNG
(CHEMBL2417623)
Show SMILES c1coc(c1)C(c1ccc(nc1)-c1ccccc1)n1ccnc1
Show InChI InChI=1S/C19H15N3O/c1-2-5-15(6-3-1)17-9-8-16(13-21-17)19(18-7-4-12-23-18)22-11-10-20-14-22/h1-14,19H
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n/an/a 69n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50439080
PNG
(CHEMBL2417623)
Show SMILES c1coc(c1)C(c1ccc(nc1)-c1ccccc1)n1ccnc1
Show InChI InChI=1S/C19H15N3O/c1-2-5-15(6-3-1)17-9-8-16(13-21-17)19(18-7-4-12-23-18)22-11-10-20-14-22/h1-14,19H
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n/an/a 74n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50439071
PNG
(CHEMBL2417632)
Show SMILES C(c1cnc(-c2ccccc2)c2ccccc12)n1ccnc1
Show InChI InChI=1S/C19H15N3/c1-2-6-15(7-3-1)19-18-9-5-4-8-17(18)16(12-21-19)13-22-11-10-20-14-22/h1-12,14H,13H2
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n/an/a 87n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50439083
PNG
(CHEMBL2417620)
Show SMILES CCC(c1ccc(nc1)-c1ccccc1)n1ccnc1
Show InChI InChI=1S/C17H17N3/c1-2-17(20-11-10-18-13-20)15-8-9-16(19-12-15)14-6-4-3-5-7-14/h3-13,17H,2H2,1H3
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n/an/a 92n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50439069
PNG
(CHEMBL2417634)
Show SMILES C(c1ccncc1)c1ccc(nc1)-c1ccccc1
Show InChI InChI=1S/C17H14N2/c1-2-4-16(5-3-1)17-7-6-15(13-19-17)12-14-8-10-18-11-9-14/h1-11,13H,12H2
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n/an/a 98n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50335360
PNG
(5-((1H-imidazol-1-yl)methyl)-2-phenylpyridine | CH...)
Show SMILES C(c1ccc(nc1)-c1ccccc1)n1ccnc1
Show InChI InChI=1S/C15H13N3/c1-2-4-14(5-3-1)15-7-6-13(10-17-15)11-18-9-8-16-12-18/h1-10,12H,11H2
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n/an/a 107n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50439079
PNG
(CHEMBL2417624)
Show SMILES c1cn(cn1)C(c1ccccc1)c1ccc(nc1)-c1ccccc1
Show InChI InChI=1S/C21H17N3/c1-3-7-17(8-4-1)20-12-11-19(15-23-20)21(24-14-13-22-16-24)18-9-5-2-6-10-18/h1-16,21H
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n/an/a 110n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50439079
PNG
(CHEMBL2417624)
Show SMILES c1cn(cn1)C(c1ccccc1)c1ccc(nc1)-c1ccccc1
Show InChI InChI=1S/C21H17N3/c1-3-7-17(8-4-1)20-12-11-19(15-23-20)21(24-14-13-22-16-24)18-9-5-2-6-10-18/h1-16,21H
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n/an/a 124n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50439064
PNG
(CHEMBL2417612)
Show SMILES Fc1cncc(Cc2ccc(nc2)-c2ccccc2)c1
Show InChI InChI=1S/C17H13FN2/c18-16-9-14(10-19-12-16)8-13-6-7-17(20-11-13)15-4-2-1-3-5-15/h1-7,9-12H,8H2
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n/an/a 125n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50439078
PNG
(CHEMBL2417625)
Show SMILES CC(c1ccc(nc1)-c1ccsc1)n1ccnc1
Show InChI InChI=1S/C14H13N3S/c1-11(17-6-5-15-10-17)12-2-3-14(16-8-12)13-4-7-18-9-13/h2-11H,1H3
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n/an/a 151n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50439075
PNG
(CHEMBL2417628)
Show SMILES C1CC1C(c1ccc(nc1)-c1cccc2ccccc12)n1ccnc1
Show InChI InChI=1S/C22H19N3/c1-2-6-19-16(4-1)5-3-7-20(19)21-11-10-18(14-24-21)22(17-8-9-17)25-13-12-23-15-25/h1-7,10-15,17,22H,8-9H2
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n/an/a 151n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50378944
PNG
(CHEMBL2011262 | US9394290, 32)
Show SMILES C(c1ccc(nc1)-c1ccsc1)n1ccnc1
Show InChI InChI=1S/C13H11N3S/c1-2-13(12-3-6-17-9-12)15-7-11(1)8-16-5-4-14-10-16/h1-7,9-10H,8H2
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n/an/a 181n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50439084
PNG
(CHEMBL2417619)
Show SMILES CC(c1ccc(nc1)-c1ccccc1)n1ccnc1
Show InChI InChI=1S/C16H15N3/c1-13(19-10-9-17-12-19)15-7-8-16(18-11-15)14-5-3-2-4-6-14/h2-13H,1H3
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n/an/a 200n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50439075
PNG
(CHEMBL2417628)
Show SMILES C1CC1C(c1ccc(nc1)-c1cccc2ccccc12)n1ccnc1
Show InChI InChI=1S/C22H19N3/c1-2-6-19-16(4-1)5-3-7-20(19)21-11-10-18(14-24-21)22(17-8-9-17)25-13-12-23-15-25/h1-7,10-15,17,22H,8-9H2
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n/an/a 220n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50439067
PNG
(CHEMBL2417636)
Show SMILES C(c1ccc(nc1)-c1ccccc1)c1cncnc1
Show InChI InChI=1S/C16H13N3/c1-2-4-15(5-3-1)16-7-6-13(11-19-16)8-14-9-17-12-18-10-14/h1-7,9-12H,8H2
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n/an/a 240n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50439076
PNG
(CHEMBL2417627)
Show SMILES CC(c1ccc(nc1)-c1cccc2ccccc12)n1ccnc1
Show InChI InChI=1S/C20H17N3/c1-15(23-12-11-21-14-23)17-9-10-20(22-13-17)19-8-4-6-16-5-2-3-7-18(16)19/h2-15H,1H3
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n/an/a 273n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50439071
PNG
(CHEMBL2417632)
Show SMILES C(c1cnc(-c2ccccc2)c2ccccc12)n1ccnc1
Show InChI InChI=1S/C19H15N3/c1-2-6-15(7-3-1)19-18-9-5-4-8-17(18)16(12-21-19)13-22-11-10-20-14-22/h1-12,14H,13H2
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n/an/a 302n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50439070
PNG
(CHEMBL2417633)
Show SMILES C(c1cccnc1)c1ccc(nc1)-c1ccccc1
Show InChI InChI=1S/C17H14N2/c1-2-6-16(7-3-1)17-9-8-15(13-19-17)11-14-5-4-10-18-12-14/h1-10,12-13H,11H2
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n/an/a 322n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50439064
PNG
(CHEMBL2417612)
Show SMILES Fc1cncc(Cc2ccc(nc2)-c2ccccc2)c1
Show InChI InChI=1S/C17H13FN2/c18-16-9-14(10-19-12-16)8-13-6-7-17(20-11-13)15-4-2-1-3-5-15/h1-7,9-12H,8H2
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n/an/a 419n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50439065
PNG
(CHEMBL2417638)
Show SMILES NC(=O)c1cncc(Cc2ccc(nc2)-c2ccccc2)c1
Show InChI InChI=1S/C18H15N3O/c19-18(22)16-9-14(10-20-12-16)8-13-6-7-17(21-11-13)15-4-2-1-3-5-15/h1-7,9-12H,8H2,(H2,19,22)
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n/an/a 427n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50439073
PNG
(CHEMBL2417630)
Show SMILES C(c1cnc(cn1)-c1ccccc1)n1ccnc1
Show InChI InChI=1S/C14H12N4/c1-2-4-12(5-3-1)14-9-16-13(8-17-14)10-18-7-6-15-11-18/h1-9,11H,10H2
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n/an/a 610n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50439069
PNG
(CHEMBL2417634)
Show SMILES C(c1ccncc1)c1ccc(nc1)-c1ccccc1
Show InChI InChI=1S/C17H14N2/c1-2-4-16(5-3-1)17-7-6-15(13-19-17)12-14-8-10-18-11-9-14/h1-11,13H,12H2
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n/an/a 621n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50378937
PNG
(CHEMBL2011253 | US9394290, 23)
Show SMILES C(c1ccc(nc1)-c1cccc2ccccc12)n1ccnc1
Show InChI InChI=1S/C19H15N3/c1-2-6-17-16(4-1)5-3-7-18(17)19-9-8-15(12-21-19)13-22-11-10-20-14-22/h1-12,14H,13H2
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n/an/a 656n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50439061
PNG
(CHEMBL2417615)
Show SMILES Oc1cncc(Cc2ccc(nc2)-c2ccccc2)c1
Show InChI InChI=1S/C17H14N2O/c20-16-9-14(10-18-12-16)8-13-6-7-17(19-11-13)15-4-2-1-3-5-15/h1-7,9-12,20H,8H2
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n/an/a 836n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50439059
PNG
(CHEMBL2417617)
Show SMILES O(c1cccnc1)c1ccc(nc1)-c1ccccc1
Show InChI InChI=1S/C16H12N2O/c1-2-5-13(6-3-1)16-9-8-15(12-18-16)19-14-7-4-10-17-11-14/h1-12H
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n/an/a 1.02E+3n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50378944
PNG
(CHEMBL2011262 | US9394290, 32)
Show SMILES C(c1ccc(nc1)-c1ccsc1)n1ccnc1
Show InChI InChI=1S/C13H11N3S/c1-2-13(12-3-6-17-9-12)15-7-11(1)8-16-5-4-14-10-16/h1-7,9-10H,8H2
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n/an/a 1.02E+3n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50439073
PNG
(CHEMBL2417630)
Show SMILES C(c1cnc(cn1)-c1ccccc1)n1ccnc1
Show InChI InChI=1S/C14H12N4/c1-2-4-12(5-3-1)14-9-16-13(8-17-14)10-18-7-6-15-11-18/h1-9,11H,10H2
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n/an/a 1.03E+3n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50439057
PNG
(CHEMBL2417553)
Show SMILES Cc1cncc(Cc2ccc(nc2)-c2ccccc2)c1
Show InChI InChI=1S/C18H16N2/c1-14-9-16(12-19-11-14)10-15-7-8-18(20-13-15)17-5-3-2-4-6-17/h2-9,11-13H,10H2,1H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin) using 7-benzyloxy trifluoromethylcoumarin as substrate

J Med Chem 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50439063
PNG
(CHEMBL2417613)
Show SMILES FC(F)(F)c1cncc(Cc2ccc(nc2)-c2ccccc2)c1
Show InChI InChI=1S/C18H13F3N2/c19-18(20,21)16-9-14(10-22-12-16)8-13-6-7-17(23-11-13)15-4-2-1-3-5-15/h1-7,9-12H,8H2
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n/an/a 1.12E+3n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50439072
PNG
(CHEMBL2417631)
Show SMILES C(c1cnc(nc1)-c1ccccc1)n1ccnc1
Show InChI InChI=1S/C14H12N4/c1-2-4-13(5-3-1)14-16-8-12(9-17-14)10-18-7-6-15-11-18/h1-9,11H,10H2
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n/an/a 1.12E+3n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50335360
PNG
(5-((1H-imidazol-1-yl)methyl)-2-phenylpyridine | CH...)
Show SMILES C(c1ccc(nc1)-c1ccccc1)n1ccnc1
Show InChI InChI=1S/C15H13N3/c1-2-4-14(5-3-1)15-7-6-13(10-17-15)11-18-9-8-16-12-18/h1-10,12H,11H2
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n/an/a 1.42E+3n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50439074
PNG
(CHEMBL2417629)
Show SMILES C(c1ccc(nn1)-c1ccccc1)n1ccnc1
Show InChI InChI=1S/C14H12N4/c1-2-4-12(5-3-1)14-7-6-13(16-17-14)10-18-9-8-15-11-18/h1-9,11H,10H2
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n/an/a 1.71E+3n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50439059
PNG
(CHEMBL2417617)
Show SMILES O(c1cccnc1)c1ccc(nc1)-c1ccccc1
Show InChI InChI=1S/C16H12N2O/c1-2-5-13(6-3-1)16-9-8-15(12-18-16)19-14-7-4-10-17-11-14/h1-12H
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n/an/a 1.88E+3n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Rattus norvegicus)		BDBM50439057
PNG
(CHEMBL2417553)
Show SMILES Cc1cncc(Cc2ccc(nc2)-c2ccccc2)c1
Show InChI InChI=1S/C18H16N2/c1-14-9-16(12-19-11-14)10-15-7-8-18(20-13-15)17-5-3-2-4-6-17/h2-9,11-13H,10H2,1H3
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n/an/a 2.44E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


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

J Med Chem 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50439065
PNG
(CHEMBL2417638)
Show SMILES NC(=O)c1cncc(Cc2ccc(nc2)-c2ccccc2)c1
Show InChI InChI=1S/C18H15N3O/c19-18(22)16-9-14(10-20-12-16)8-13-6-7-17(21-11-13)15-4-2-1-3-5-15/h1-7,9-12H,8H2,(H2,19,22)
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n/an/a 2.92E+3n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50439067
PNG
(CHEMBL2417636)
Show SMILES C(c1ccc(nc1)-c1ccccc1)c1cncnc1
Show InChI InChI=1S/C16H13N3/c1-2-4-15(5-3-1)16-7-6-13(11-19-16)8-14-9-17-12-18-10-14/h1-7,9-12H,8H2
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n/an/a 3.11E+3n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50439074
PNG
(CHEMBL2417629)
Show SMILES C(c1ccc(nn1)-c1ccccc1)n1ccnc1
Show InChI InChI=1S/C14H12N4/c1-2-4-12(5-3-1)14-7-6-13(16-17-14)10-18-9-8-15-11-18/h1-9,11H,10H2
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n/an/a 4.54E+3n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50439058
PNG
(CHEMBL2417618)
Show SMILES N(c1cccnc1)c1ccc(nc1)-c1ccccc1
Show InChI InChI=1S/C16H13N3/c1-2-5-13(6-3-1)16-9-8-15(12-18-16)19-14-7-4-10-17-11-14/h1-12,19H
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n/an/a>5.00E+3n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50439058
PNG
(CHEMBL2417618)
Show SMILES N(c1cccnc1)c1ccc(nc1)-c1ccccc1
Show InChI InChI=1S/C16H13N3/c1-2-5-13(6-3-1)16-9-8-15(12-18-16)19-14-7-4-10-17-11-14/h1-12,19H
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n/an/a>5.00E+3n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50439072
PNG
(CHEMBL2417631)
Show SMILES C(c1cnc(nc1)-c1ccccc1)n1ccnc1
Show InChI InChI=1S/C14H12N4/c1-2-4-13(5-3-1)14-16-8-12(9-17-14)10-18-7-6-15-11-18/h1-9,11H,10H2
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n/an/a>5.00E+3n/an/an/an/an/an/a



Saarland University

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 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 2A6


(Homo sapiens (Human))		BDBM50439057
PNG
(CHEMBL2417553)
Show SMILES Cc1cncc(Cc2ccc(nc2)-c2ccccc2)c1
Show InChI InChI=1S/C18H16N2/c1-14-9-16(12-19-11-14)10-15-7-8-18(20-13-15)17-5-3-2-4-6-17/h2-9,11-13H,10H2,1H3
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n/an/a 1.06E+5n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of CYP2A6 (unknown origin) using coumarin as substrate

J Med Chem 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%