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Compile Data Set for Download or QSAR

Found 90 hits Enz. Inhib. hit(s) with all data for entry = 50039489   
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))
BDBM50125935
PNG
((R)-1-(1-phenylethyl)-1H-imidazole-5-carboxylic ac...)
Show SMILES CCOC(=O)c1cncn1[C@H](C)c1ccccc1 |r|
Show InChI InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1
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n/an/a 0.100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detector


ACS Med Chem Lett 2: 559-564 (2011)


Article DOI: 10.1021/ml100283h
BindingDB Entry DOI: 10.7270/Q21R6RJ2
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50125935
PNG
((R)-1-(1-phenylethyl)-1H-imidazole-5-carboxylic ac...)
Show SMILES CCOC(=O)c1cncn1[C@H](C)c1ccccc1 |r|
Show InChI InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detector


ACS Med Chem Lett 2: 559-564 (2011)


Article DOI: 10.1021/ml100283h
BindingDB Entry DOI: 10.7270/Q21R6RJ2
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



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detector


ACS Med Chem Lett 2: 559-564 (2011)


Article DOI: 10.1021/ml100283h
BindingDB Entry DOI: 10.7270/Q21R6RJ2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50378948
PNG
(CHEMBL2011431 | US9394290, 36)
Show SMILES C(c1cccnc1-c1cccs1)n1ccnc1
Show InChI InChI=1S/C13H11N3S/c1-3-11(9-16-7-6-14-10-16)13(15-5-1)12-4-2-8-17-12/h1-8,10H,9H2
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n/an/a 16n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detector


ACS Med Chem Lett 2: 559-564 (2011)


Article DOI: 10.1021/ml100283h
BindingDB Entry DOI: 10.7270/Q21R6RJ2
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50378956
PNG
(CHEMBL2011246 | US9394290, 11)
Show SMILES Oc1ccc(cc1F)-c1ccc(Cn2ccnc2)cn1
Show InChI InChI=1S/C15H12FN3O/c16-13-7-12(2-4-15(13)20)14-3-1-11(8-18-14)9-19-6-5-17-10-19/h1-8,10,20H,9H2
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n/an/a 17n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detector


ACS Med Chem Lett 2: 559-564 (2011)


Article DOI: 10.1021/ml100283h
BindingDB Entry DOI: 10.7270/Q21R6RJ2
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50378954
PNG
(CHEMBL2011437 | US9394290, 42)
Show SMILES C(c1cnc(-c2ccco2)c(c1)-c1ccco1)n1ccnc1
Show InChI InChI=1S/C17H13N3O2/c1-3-15(21-7-1)14-9-13(11-20-6-5-18-12-20)10-19-17(14)16-4-2-8-22-16/h1-10,12H,11H2
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n/an/a 29n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detector


ACS Med Chem Lett 2: 559-564 (2011)


Article DOI: 10.1021/ml100283h
BindingDB Entry DOI: 10.7270/Q21R6RJ2
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50378950
PNG
(CHEMBL2011433 | US9394290, 38)
Show SMILES C(c1ccc(nc1)-c1csc2ccccc12)n1ccnc1
Show InChI InChI=1S/C17H13N3S/c1-2-4-17-14(3-1)15(11-21-17)16-6-5-13(9-19-16)10-20-8-7-18-12-20/h1-9,11-12H,10H2
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n/an/a 40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detector


ACS Med Chem Lett 2: 559-564 (2011)


Article DOI: 10.1021/ml100283h
BindingDB Entry DOI: 10.7270/Q21R6RJ2
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 42n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detector


ACS Med Chem Lett 2: 559-564 (2011)


Article DOI: 10.1021/ml100283h
BindingDB Entry DOI: 10.7270/Q21R6RJ2
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50378960
PNG
(CHEMBL2011242 | US9394290, 5)
Show SMILES Brc1ncccc1Cn1ccnc1
Show InChI InChI=1S/C9H8BrN3/c10-9-8(2-1-3-12-9)6-13-5-4-11-7-13/h1-5,7H,6H2
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n/an/a 61n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detector


ACS Med Chem Lett 2: 559-564 (2011)


Article DOI: 10.1021/ml100283h
BindingDB Entry DOI: 10.7270/Q21R6RJ2
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50378946
PNG
(CHEMBL2011264 | US9394290, 34)
Show SMILES O=Cc1ccc(s1)-c1ccc(Cn2ccnc2)cn1
Show InChI InChI=1S/C14H11N3OS/c18-9-12-2-4-14(19-12)13-3-1-11(7-16-13)8-17-6-5-15-10-17/h1-7,9-10H,8H2
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n/an/a 62n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detector


ACS Med Chem Lett 2: 559-564 (2011)


Article DOI: 10.1021/ml100283h
BindingDB Entry DOI: 10.7270/Q21R6RJ2
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM31768
PNG
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1
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n/an/a 67n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detector


ACS Med Chem Lett 2: 559-564 (2011)


Article DOI: 10.1021/ml100283h
BindingDB Entry DOI: 10.7270/Q21R6RJ2
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50378962
PNG
(CHEMBL2011244 | US9394290, 7)
Show SMILES Fc1ccccc1-c1ccc(Cn2ccnc2)cn1
Show InChI InChI=1S/C15H12FN3/c16-14-4-2-1-3-13(14)15-6-5-12(9-18-15)10-19-8-7-17-11-19/h1-9,11H,10H2
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n/an/a 72n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detector


ACS Med Chem Lett 2: 559-564 (2011)


Article DOI: 10.1021/ml100283h
BindingDB Entry DOI: 10.7270/Q21R6RJ2
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 72n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detector


ACS Med Chem Lett 2: 559-564 (2011)


Article DOI: 10.1021/ml100283h
BindingDB Entry DOI: 10.7270/Q21R6RJ2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50378947
PNG
(CHEMBL2011430)
Show SMILES Clc1ncc(Cn2ccnc2)cc1-c1cccs1
Show InChI InChI=1S/C13H10ClN3S/c14-13-11(12-2-1-5-18-12)6-10(7-16-13)8-17-4-3-15-9-17/h1-7,9H,8H2
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n/an/a 73n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detector


ACS Med Chem Lett 2: 559-564 (2011)


Article DOI: 10.1021/ml100283h
BindingDB Entry DOI: 10.7270/Q21R6RJ2
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50378943
PNG
(CHEMBL2011261 | US9394290, 31)
Show SMILES C(c1ccc(nc1)-c1cccs1)n1ccnc1
Show InChI InChI=1S/C13H11N3S/c1-2-13(17-7-1)12-4-3-11(8-15-12)9-16-6-5-14-10-16/h1-8,10H,9H2
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n/an/a 75n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detector


ACS Med Chem Lett 2: 559-564 (2011)


Article DOI: 10.1021/ml100283h
BindingDB Entry DOI: 10.7270/Q21R6RJ2
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50378952
PNG
(CHEMBL2011435 | US9394290, 40)
Show SMILES C(c1ccc(nc1)-c1ccoc1)n1ccnc1
Show InChI InChI=1S/C13H11N3O/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 76n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detector


ACS Med Chem Lett 2: 559-564 (2011)


Article DOI: 10.1021/ml100283h
BindingDB Entry DOI: 10.7270/Q21R6RJ2
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50378942
PNG
(CHEMBL2011260 | US9394290, 30)
Show SMILES C(c1ccc(nc1)-c1cncc2ccccc12)n1ccnc1
Show InChI InChI=1S/C18H14N4/c1-2-4-16-15(3-1)10-20-11-17(16)18-6-5-14(9-21-18)12-22-8-7-19-13-22/h1-11,13H,12H2
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n/an/a 95n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detector


ACS Med Chem Lett 2: 559-564 (2011)


Article DOI: 10.1021/ml100283h
BindingDB Entry DOI: 10.7270/Q21R6RJ2
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50378969
PNG
(CHEMBL2011247 | US9394290, 15)
Show SMILES Nc1ccccc1-c1ccc(Cn2ccnc2)cn1
Show InChI InChI=1S/C15H14N4/c16-14-4-2-1-3-13(14)15-6-5-12(9-18-15)10-19-8-7-17-11-19/h1-9,11H,10,16H2
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n/an/a 101n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detector


ACS Med Chem Lett 2: 559-564 (2011)


Article DOI: 10.1021/ml100283h
BindingDB Entry DOI: 10.7270/Q21R6RJ2
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50378971
PNG
(CHEMBL2011248 | US9394290, 17)
Show SMILES Nc1ccc(cc1)-c1ccc(Cn2ccnc2)cn1
Show InChI InChI=1S/C15H14N4/c16-14-4-2-13(3-5-14)15-6-1-12(9-18-15)10-19-8-7-17-11-19/h1-9,11H,10,16H2
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n/an/a 106n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detector


ACS Med Chem Lett 2: 559-564 (2011)


Article DOI: 10.1021/ml100283h
BindingDB Entry DOI: 10.7270/Q21R6RJ2
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50378970
PNG
(CHEMBL273205 | US9394290, 16)
Show SMILES Nc1cccc(c1)-c1ccc(Cn2ccnc2)cn1
Show InChI InChI=1S/C15H14N4/c16-14-3-1-2-13(8-14)15-5-4-12(9-18-15)10-19-7-6-17-11-19/h1-9,11H,10,16H2
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n/an/a 110n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detector


ACS Med Chem Lett 2: 559-564 (2011)


Article DOI: 10.1021/ml100283h
BindingDB Entry DOI: 10.7270/Q21R6RJ2
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 126n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detector


ACS Med Chem Lett 2: 559-564 (2011)


Article DOI: 10.1021/ml100283h
BindingDB Entry DOI: 10.7270/Q21R6RJ2
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM31768
PNG
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1
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n/an/a 127n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detector


ACS Med Chem Lett 2: 559-564 (2011)


Article DOI: 10.1021/ml100283h
BindingDB Entry DOI: 10.7270/Q21R6RJ2
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50378941
PNG
(CHEMBL2011257 | US9394290, 27)
Show SMILES C(c1ccc(nc1)-c1ccncc1)n1ccnc1
Show InChI InChI=1S/C14H12N4/c1-2-14(13-3-5-15-6-4-13)17-9-12(1)10-18-8-7-16-11-18/h1-9,11H,10H2
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n/an/a 139n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detector


ACS Med Chem Lett 2: 559-564 (2011)


Article DOI: 10.1021/ml100283h
BindingDB Entry DOI: 10.7270/Q21R6RJ2
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 152n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detector


ACS Med Chem Lett 2: 559-564 (2011)


Article DOI: 10.1021/ml100283h
BindingDB Entry DOI: 10.7270/Q21R6RJ2
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50378951
PNG
(CHEMBL2011434 | US9394290, 39)
Show SMILES C(c1ccc(nc1)-c1ccco1)n1ccnc1
Show InChI InChI=1S/C13H11N3O/c1-2-13(17-7-1)12-4-3-11(8-15-12)9-16-6-5-14-10-16/h1-8,10H,9H2
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n/an/a 167n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detector


ACS Med Chem Lett 2: 559-564 (2011)


Article DOI: 10.1021/ml100283h
BindingDB Entry DOI: 10.7270/Q21R6RJ2
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50378966
PNG
(CHEMBL402298 | US9394290, 12)
Show SMILES COc1ccccc1-c1ccc(Cn2ccnc2)cn1
Show InChI InChI=1S/C16H15N3O/c1-20-16-5-3-2-4-14(16)15-7-6-13(10-18-15)11-19-9-8-17-12-19/h2-10,12H,11H2,1H3
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n/an/a 167n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detector


ACS Med Chem Lett 2: 559-564 (2011)


Article DOI: 10.1021/ml100283h
BindingDB Entry DOI: 10.7270/Q21R6RJ2
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50378961
PNG
(CHEMBL2011243 | US9394290, 6)
Show SMILES Clc1ncc(Cn2ccnc2)cc1Br
Show InChI InChI=1S/C9H7BrClN3/c10-8-3-7(4-13-9(8)11)5-14-2-1-12-6-14/h1-4,6H,5H2
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n/an/a 168n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detector


ACS Med Chem Lett 2: 559-564 (2011)


Article DOI: 10.1021/ml100283h
BindingDB Entry DOI: 10.7270/Q21R6RJ2
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50378964
PNG
(CHEMBL272749 | US9394290, 9)
Show SMILES Fc1ccc(cc1)-c1ccc(Cn2ccnc2)cn1
Show InChI InChI=1S/C15H12FN3/c16-14-4-2-13(3-5-14)15-6-1-12(9-18-15)10-19-8-7-17-11-19/h1-9,11H,10H2
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n/an/a 213n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detector


ACS Med Chem Lett 2: 559-564 (2011)


Article DOI: 10.1021/ml100283h
BindingDB Entry DOI: 10.7270/Q21R6RJ2
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50378956
PNG
(CHEMBL2011246 | US9394290, 11)
Show SMILES Oc1ccc(cc1F)-c1ccc(Cn2ccnc2)cn1
Show InChI InChI=1S/C15H12FN3O/c16-13-7-12(2-4-15(13)20)14-3-1-11(8-18-14)9-19-6-5-17-10-19/h1-8,10,20H,9H2
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n/an/a 237n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detector


ACS Med Chem Lett 2: 559-564 (2011)


Article DOI: 10.1021/ml100283h
BindingDB Entry DOI: 10.7270/Q21R6RJ2
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50378938
PNG
(CHEMBL2011254 | US9394290, 24)
Show SMILES C(c1ccc(nc1)-c1ccc2ccccc2c1)n1ccnc1
Show InChI InChI=1S/C19H15N3/c1-2-4-17-11-18(7-6-16(17)3-1)19-8-5-15(12-21-19)13-22-10-9-20-14-22/h1-12,14H,13H2
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detector


ACS Med Chem Lett 2: 559-564 (2011)


Article DOI: 10.1021/ml100283h
BindingDB Entry DOI: 10.7270/Q21R6RJ2
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50378974
PNG
(CHEMBL2011252 | US9394290, 21)
Show SMILES O=Cc1ccc(cc1)-c1ccc(Cn2ccnc2)cn1
Show InChI InChI=1S/C16H13N3O/c20-11-13-1-4-15(5-2-13)16-6-3-14(9-18-16)10-19-8-7-17-12-19/h1-9,11-12H,10H2
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detector


ACS Med Chem Lett 2: 559-564 (2011)


Article DOI: 10.1021/ml100283h
BindingDB Entry DOI: 10.7270/Q21R6RJ2
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50378948
PNG
(CHEMBL2011431 | US9394290, 36)
Show SMILES C(c1cccnc1-c1cccs1)n1ccnc1
Show InChI InChI=1S/C13H11N3S/c1-3-11(9-16-7-6-14-10-16)13(15-5-1)12-4-2-8-17-12/h1-8,10H,9H2
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n/an/a 251n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detector


ACS Med Chem Lett 2: 559-564 (2011)


Article DOI: 10.1021/ml100283h
BindingDB Entry DOI: 10.7270/Q21R6RJ2
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50378949
PNG
(CHEMBL2011432 | US9394290, 37)
Show SMILES C(c1ccc(nc1)-c1cc2ccccc2s1)n1ccnc1
Show InChI InChI=1S/C17H13N3S/c1-2-4-16-14(3-1)9-17(21-16)15-6-5-13(10-19-15)11-20-8-7-18-12-20/h1-10,12H,11H2
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detector


ACS Med Chem Lett 2: 559-564 (2011)


Article DOI: 10.1021/ml100283h
BindingDB Entry DOI: 10.7270/Q21R6RJ2
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50378949
PNG
(CHEMBL2011432 | US9394290, 37)
Show SMILES C(c1ccc(nc1)-c1cc2ccccc2s1)n1ccnc1
Show InChI InChI=1S/C17H13N3S/c1-2-4-16-14(3-1)9-17(21-16)15-6-5-13(10-19-15)11-20-8-7-18-12-20/h1-10,12H,11H2
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n/an/a 281n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detector


ACS Med Chem Lett 2: 559-564 (2011)


Article DOI: 10.1021/ml100283h
BindingDB Entry DOI: 10.7270/Q21R6RJ2
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50378963
PNG
(CHEMBL2011245 | US9394290, 8)
Show SMILES Fc1cccc(c1)-c1ccc(Cn2ccnc2)cn1
Show InChI InChI=1S/C15H12FN3/c16-14-3-1-2-13(8-14)15-5-4-12(9-18-15)10-19-7-6-17-11-19/h1-9,11H,10H2
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detector


ACS Med Chem Lett 2: 559-564 (2011)


Article DOI: 10.1021/ml100283h
BindingDB Entry DOI: 10.7270/Q21R6RJ2
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50378965
PNG
(CHEMBL402522 | US9394290, 10)
Show SMILES Fc1ccc(cc1F)-c1ccc(Cn2ccnc2)cn1
Show InChI InChI=1S/C15H11F2N3/c16-13-3-2-12(7-14(13)17)15-4-1-11(8-19-15)9-20-6-5-18-10-20/h1-8,10H,9H2
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detector


ACS Med Chem Lett 2: 559-564 (2011)


Article DOI: 10.1021/ml100283h
BindingDB Entry DOI: 10.7270/Q21R6RJ2
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50378939
PNG
(CHEMBL2011255 | US9394290, 25)
Show SMILES C(c1cnc(-c2ccccc2)c(c1)-c1ccccc1)n1ccnc1
Show InChI InChI=1S/C21H17N3/c1-3-7-18(8-4-1)20-13-17(15-24-12-11-22-16-24)14-23-21(20)19-9-5-2-6-10-19/h1-14,16H,15H2
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n/an/a 362n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detector


ACS Med Chem Lett 2: 559-564 (2011)


Article DOI: 10.1021/ml100283h
BindingDB Entry DOI: 10.7270/Q21R6RJ2
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50378945
PNG
(CHEMBL2011263 | US9394290, 33)
Show SMILES Clc1ccc(s1)-c1ccc(Cn2ccnc2)cn1
Show InChI InChI=1S/C13H10ClN3S/c14-13-4-3-12(18-13)11-2-1-10(7-16-11)8-17-6-5-15-9-17/h1-7,9H,8H2
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detector


ACS Med Chem Lett 2: 559-564 (2011)


Article DOI: 10.1021/ml100283h
BindingDB Entry DOI: 10.7270/Q21R6RJ2
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50378955
PNG
(CHEMBL2011250 | US9394290, 19)
Show SMILES N#Cc1cccc(c1)-c1ccc(Cn2ccnc2)cn1
Show InChI InChI=1S/C16H12N4/c17-9-13-2-1-3-15(8-13)16-5-4-14(10-19-16)11-20-7-6-18-12-20/h1-8,10,12H,11H2
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detector


ACS Med Chem Lett 2: 559-564 (2011)


Article DOI: 10.1021/ml100283h
BindingDB Entry DOI: 10.7270/Q21R6RJ2
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50378947
PNG
(CHEMBL2011430)
Show SMILES Clc1ncc(Cn2ccnc2)cc1-c1cccs1
Show InChI InChI=1S/C13H10ClN3S/c14-13-11(12-2-1-5-18-12)6-10(7-16-13)8-17-4-3-15-9-17/h1-7,9H,8H2
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detector


ACS Med Chem Lett 2: 559-564 (2011)


Article DOI: 10.1021/ml100283h
BindingDB Entry DOI: 10.7270/Q21R6RJ2
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50378941
PNG
(CHEMBL2011257 | US9394290, 27)
Show SMILES C(c1ccc(nc1)-c1ccncc1)n1ccnc1
Show InChI InChI=1S/C14H12N4/c1-2-14(13-3-5-15-6-4-13)17-9-12(1)10-18-8-7-16-11-18/h1-9,11H,10H2
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n/an/a 487n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detector


ACS Med Chem Lett 2: 559-564 (2011)


Article DOI: 10.1021/ml100283h
BindingDB Entry DOI: 10.7270/Q21R6RJ2
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50378953
PNG
(CHEMBL2011436 | US9394290, 41)
Show SMILES C(c1ccc(nc1)-c1cc2ccccc2o1)n1ccnc1
Show InChI InChI=1S/C17H13N3O/c1-2-4-16-14(3-1)9-17(21-16)15-6-5-13(10-19-15)11-20-8-7-18-12-20/h1-10,12H,11H2
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detector


ACS Med Chem Lett 2: 559-564 (2011)


Article DOI: 10.1021/ml100283h
BindingDB Entry DOI: 10.7270/Q21R6RJ2
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50378959
PNG
(CHEMBL2011241 | US9394290, 1a)
Show SMILES Brc1ccc(Cn2ccnc2)cn1
Show InChI InChI=1S/C9H8BrN3/c10-9-2-1-8(5-12-9)6-13-4-3-11-7-13/h1-5,7H,6H2
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detector


ACS Med Chem Lett 2: 559-564 (2011)


Article DOI: 10.1021/ml100283h
BindingDB Entry DOI: 10.7270/Q21R6RJ2
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50378940
PNG
(CHEMBL2011256 | US9394290, 26)
Show SMILES C(c1ccc(nc1)-c1cccnc1)n1ccnc1
Show InChI InChI=1S/C14H12N4/c1-2-13(9-15-5-1)14-4-3-12(8-17-14)10-18-7-6-16-11-18/h1-9,11H,10H2
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n/an/a 502n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detector


ACS Med Chem Lett 2: 559-564 (2011)


Article DOI: 10.1021/ml100283h
BindingDB Entry DOI: 10.7270/Q21R6RJ2
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50378971
PNG
(CHEMBL2011248 | US9394290, 17)
Show SMILES Nc1ccc(cc1)-c1ccc(Cn2ccnc2)cn1
Show InChI InChI=1S/C15H14N4/c16-14-4-2-13(3-5-14)15-6-1-12(9-18-15)10-19-8-7-17-11-19/h1-9,11H,10,16H2
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n/an/a 528n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detector


ACS Med Chem Lett 2: 559-564 (2011)


Article DOI: 10.1021/ml100283h
BindingDB Entry DOI: 10.7270/Q21R6RJ2
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50378972
PNG
(CHEMBL2011249 | US9394290, 18)
Show SMILES Cc1ccc(cc1N)-c1ccc(Cn2ccnc2)cn1
Show InChI InChI=1S/C16H16N4/c1-12-2-4-14(8-15(12)17)16-5-3-13(9-19-16)10-20-7-6-18-11-20/h2-9,11H,10,17H2,1H3
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n/an/a 542n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detector


ACS Med Chem Lett 2: 559-564 (2011)


Article DOI: 10.1021/ml100283h
BindingDB Entry DOI: 10.7270/Q21R6RJ2
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50378961
PNG
(CHEMBL2011243 | US9394290, 6)
Show SMILES Clc1ncc(Cn2ccnc2)cc1Br
Show InChI InChI=1S/C9H7BrClN3/c10-8-3-7(4-13-9(8)11)5-14-2-1-12-6-14/h1-4,6H,5H2
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n/an/a 576n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detector


ACS Med Chem Lett 2: 559-564 (2011)


Article DOI: 10.1021/ml100283h
BindingDB Entry DOI: 10.7270/Q21R6RJ2
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50378975
PNG
(CHEMBL2010808 | US9394290, 22)
Show SMILES C(c1ccc(nc1)-c1ccc(cc1)N(c1ccccc1)c1ccccc1)n1ccnc1
Show InChI InChI=1S/C27H22N4/c1-3-7-24(8-4-1)31(25-9-5-2-6-10-25)26-14-12-23(13-15-26)27-16-11-22(19-29-27)20-30-18-17-28-21-30/h1-19,21H,20H2
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n/an/a 611n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detector


ACS Med Chem Lett 2: 559-564 (2011)


Article DOI: 10.1021/ml100283h
BindingDB Entry DOI: 10.7270/Q21R6RJ2
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM45884
PNG
(4-(1-imidazolylmethyl)pyridine | 4-(imidazol-1-ylm...)
Show SMILES C(c1ccncc1)n1ccnc1
Show InChI InChI=1S/C9H9N3/c1-3-10-4-2-9(1)7-12-6-5-11-8-12/h1-6,8H,7H2
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n/an/a 663n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detector


ACS Med Chem Lett 2: 559-564 (2011)


Article DOI: 10.1021/ml100283h
BindingDB Entry DOI: 10.7270/Q21R6RJ2
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50378973
PNG
(CHEMBL2011251 | US9394290, 20)
Show SMILES N#Cc1ccc(cc1)-c1ccc(Cn2ccnc2)cn1
Show InChI InChI=1S/C16H12N4/c17-9-13-1-4-15(5-2-13)16-6-3-14(10-19-16)11-20-8-7-18-12-20/h1-8,10,12H,11H2
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n/an/a 782n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detector


ACS Med Chem Lett 2: 559-564 (2011)


Article DOI: 10.1021/ml100283h
BindingDB Entry DOI: 10.7270/Q21R6RJ2
More data for this
Ligand-Target Pair
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