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Compile Data Set for Download or QSAR

Found 91 hits Enz. Inhib. hit(s) with all data for entry = 50026793   
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))
BDBM50272321
PNG
(3-(Methoxymethyl)-5-(6-methoxynaphthalen-2-yl)pyri...)
Show SMILES COCc1cncc(c1)-c1ccc2cc(OC)ccc2c1
Show InChI InChI=1S/C18H17NO2/c1-20-12-13-7-17(11-19-10-13)15-3-4-16-9-18(21-2)6-5-14(16)8-15/h3-11H,12H2,1-2H3
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n/an/a 0.200n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50272366
PNG
(3-(1-Methoxyethyl)-5-(6-methoxynaphthalen-2-yl)pyr...)
Show SMILES COC(C)c1cncc(c1)-c1ccc2cc(OC)ccc2c1
Show InChI InChI=1S/C19H19NO2/c1-13(21-2)17-9-18(12-20-11-17)15-4-5-16-10-19(22-3)7-6-14(16)8-15/h4-13H,1-3H3
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n/an/a 0.200n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50272370
PNG
(4-(6-Methoxy-3-methyl-3,4-dihydronaphthalen-2-yl)i...)
Show SMILES COc1ccc2C=C(C(C)Cc2c1)c1cncc2ccccc12 |c:6|
Show InChI InChI=1S/C21H19NO/c1-14-9-17-10-18(23-2)8-7-15(17)11-20(14)21-13-22-12-16-5-3-4-6-19(16)21/h3-8,10-14H,9H2,1-2H3
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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 V79 MZh cells


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50272365
PNG
(1-[5-(6-Methoxynaphthalen-2-yl)-pyridin-3-yl]ethan...)
Show SMILES COc1ccc2cc(ccc2c1)-c1cncc(c1)C(C)O
Show InChI InChI=1S/C18H17NO2/c1-12(20)16-8-17(11-19-10-16)14-3-4-15-9-18(21-2)6-5-13(15)7-14/h3-12,20H,1-2H3
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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 V79 MZh cells


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50272368
PNG
(4-(6-Methoxynaphthalen-2-yl)isoquinoline | CHEMBL5...)
Show SMILES COc1ccc2cc(ccc2c1)-c1cncc2ccccc12
Show InChI InChI=1S/C20H15NO/c1-22-18-9-8-14-10-16(7-6-15(14)11-18)20-13-21-12-17-4-2-3-5-19(17)20/h2-13H,1H3
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n/an/a 0.600n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50272247
PNG
(6-(4-Methylpyridin-3-yl)-2-naphthonitrile | CHEMBL...)
Show SMILES Cc1ccncc1-c1ccc2cc(ccc2c1)C#N
Show InChI InChI=1S/C17H12N2/c1-12-6-7-19-11-17(12)16-5-4-14-8-13(10-18)2-3-15(14)9-16/h2-9,11H,1H3
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n/an/a 0.600n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50272289
PNG
(CHEMBL500146 | Methyl 5-(6-methoxynaphthalen-2-yl)...)
Show SMILES COC(=O)c1cncc(c1)-c1ccc2cc(OC)ccc2c1
Show InChI InChI=1S/C18H15NO3/c1-21-17-6-5-12-7-13(3-4-14(12)9-17)15-8-16(11-19-10-15)18(20)22-2/h3-11H,1-2H3
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n/an/a 0.800n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50272246
PNG
(3-(6-Methoxynaphthalen-2-yl)-4-methylpyridine | CH...)
Show SMILES COc1ccc2cc(ccc2c1)-c1cnccc1C
Show InChI InChI=1S/C17H15NO/c1-12-7-8-18-11-17(12)15-4-3-14-10-16(19-2)6-5-13(14)9-15/h3-11H,1-2H3
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n/an/a 0.800n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM8611
PNG
(4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...)
Show SMILES N#Cc1ccc(cc1)C1CCCc2cncn12
Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2
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n/an/a 1n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50272287
PNG
(3-Methoxy-5-(6-methoxy-3-methyl-3,4-dihydronaphtha...)
Show SMILES COc1ccc2C=C(C(C)Cc2c1)c1cncc(OC)c1 |c:6|
Show InChI InChI=1S/C18H19NO2/c1-12-6-14-7-16(20-2)5-4-13(14)9-18(12)15-8-17(21-3)11-19-10-15/h4-5,7-12H,6H2,1-3H3
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n/an/a 1.20n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM8891
PNG
(3-(6-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine |...)
Show SMILES COc1ccc2C=C(CCc2c1)c1cccnc1 |c:6|
Show InChI InChI=1S/C16H15NO/c1-18-16-7-6-12-9-13(4-5-14(12)10-16)15-3-2-8-17-11-15/h2-3,6-11H,4-5H2,1H3
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n/an/a 2.10n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50272291
PNG
(1-[5-(6-Methoxynaphthalen-2-yl)pyridin-3-yl]ethano...)
Show SMILES COc1ccc2cc(ccc2c1)-c1cncc(c1)C(C)=O
Show InChI InChI=1S/C18H15NO2/c1-12(20)16-8-17(11-19-10-16)14-3-4-15-9-18(21-2)6-5-13(15)7-14/h3-11H,1-2H3
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n/an/a 2.10n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50272323
PNG
(4-(Methoxymethyl)-3-(6-methoxynaphthalen-2-yl)pyri...)
Show SMILES COCc1ccncc1-c1ccc2cc(OC)ccc2c1
Show InChI InChI=1S/C18H17NO2/c1-20-12-16-7-8-19-11-18(16)15-4-3-14-10-17(21-2)6-5-13(14)9-15/h3-11H,12H2,1-2H3
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Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM8909
PNG
(6-(pyridin-3-yl)naphthalene-2-carbonitrile | 6-Pyr...)
Show SMILES N#Cc1ccc2cc(ccc2c1)-c1cccnc1
Show InChI InChI=1S/C16H10N2/c17-10-12-3-4-14-9-15(6-5-13(14)8-12)16-2-1-7-18-11-16/h1-9,11H
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n/an/a 2.90n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50272369
PNG
(4-(6-Methoxy-3-methylnaphthalen-2-yl)isoquinoline ...)
Show SMILES COc1ccc2cc(c(C)cc2c1)-c1cncc2ccccc12
Show InChI InChI=1S/C21H17NO/c1-14-9-17-10-18(23-2)8-7-15(17)11-20(14)21-13-22-12-16-5-3-4-6-19(16)21/h3-13H,1-2H3
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n/an/a 3.10n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50272195
PNG
(3-(6-Methoxy-3-methyl-3,4-dihydronaphthalen-2-yl)p...)
Show SMILES COc1ccc2C=C(C(C)Cc2c1)c1cccnc1 |c:6|
Show InChI InChI=1S/C17H17NO/c1-12-8-15-9-16(19-2)6-5-13(15)10-17(12)14-4-3-7-18-11-14/h3-7,9-12H,8H2,1-2H3
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n/an/a 3.30n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50272251
PNG
(3-Methoxy-5-(6-methoxy-3-methylnaphthalen-2-yl)pyr...)
Show SMILES COc1ccc2cc(c(C)cc2c1)-c1cncc(OC)c1
Show InChI InChI=1S/C18H17NO2/c1-12-6-14-7-16(20-2)5-4-13(14)9-18(12)15-8-17(21-3)11-19-10-15/h4-11H,1-3H3
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n/an/a 3.80n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50272250
PNG
(3-methoxy-5-(6-methoxynaphthalen-2-yl)pyridine | C...)
Show SMILES COc1ccc2cc(ccc2c1)-c1cncc(OC)c1
Show InChI InChI=1S/C17H15NO2/c1-19-16-6-5-12-7-13(3-4-14(12)8-16)15-9-17(20-2)11-18-10-15/h3-11H,1-2H3
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n/an/a 4.20n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50272245
PNG
(6-(Pyridin-3-yl)-7,8-dihydronaphthalene-2-carbonit...)
Show SMILES N#Cc1ccc2C=C(CCc2c1)c1cccnc1 |c:6|
Show InChI InChI=1S/C16H12N2/c17-10-12-3-4-14-9-15(6-5-13(14)8-12)16-2-1-7-18-11-16/h1-4,7-9,11H,5-6H2
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n/an/a 4.5n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50272367
PNG
(3-(6-Methoxynaphthalen-2-yl)-5-phenylpyridine | CH...)
Show SMILES COc1ccc2cc(ccc2c1)-c1cncc(c1)-c1ccccc1
Show InChI InChI=1S/C22H17NO/c1-24-22-10-9-17-11-18(7-8-19(17)13-22)21-12-20(14-23-15-21)16-5-3-2-4-6-16/h2-15H,1H3
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n/an/a 4.80n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50272288
PNG
(3-Ethoxy-5-(6-methoxynaphthalen-2-yl)pyridine | CH...)
Show SMILES CCOc1cncc(c1)-c1ccc2cc(OC)ccc2c1
Show InChI InChI=1S/C18H17NO2/c1-3-21-18-10-16(11-19-12-18)14-4-5-15-9-17(20-2)7-6-13(15)8-14/h4-12H,3H2,1-2H3
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n/an/a 5.10n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM8905
PNG
(3-(6-Methoxy-2-naphthyl)pyridine | 3-(6-methoxynap...)
Show SMILES COc1ccc2cc(ccc2c1)-c1cccnc1
Show InChI InChI=1S/C16H13NO/c1-18-16-7-6-12-9-13(4-5-14(12)10-16)15-3-2-8-17-11-15/h2-11H,1H3
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n/an/a 6.20n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50272319
PNG
(CHEMBL526339 | Methyl [5-(6-methoxynaphthalen-2-yl...)
Show SMILES COC(=O)Cc1cncc(c1)-c1ccc2cc(OC)ccc2c1
Show InChI InChI=1S/C19H17NO3/c1-22-18-6-5-14-9-15(3-4-16(14)10-18)17-7-13(11-20-12-17)8-19(21)23-2/h3-7,9-12H,8H2,1-2H3
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n/an/a 6.90n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50272194
PNG
(3-(6-Methoxy-3-methylnaphthalen-2-yl)pyridine | CH...)
Show SMILES COc1ccc2cc(c(C)cc2c1)-c1cccnc1
Show InChI InChI=1S/C17H15NO/c1-12-8-15-9-16(19-2)6-5-13(15)10-17(12)14-4-3-7-18-11-14/h3-11H,1-2H3
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n/an/a 7n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50272320
PNG
(CHEMBL448064 | [5-(6-Methoxynaphthalen-2-yl)pyridi...)
Show SMILES COc1ccc2cc(ccc2c1)-c1cncc(CO)c1
Show InChI InChI=1S/C17H15NO2/c1-20-17-5-4-13-7-14(2-3-15(13)8-17)16-6-12(11-19)9-18-10-16/h2-10,19H,11H2,1H3
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n/an/a 9.10n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50272366
PNG
(3-(1-Methoxyethyl)-5-(6-methoxynaphthalen-2-yl)pyr...)
Show SMILES COC(C)c1cncc(c1)-c1ccc2cc(OC)ccc2c1
Show InChI InChI=1S/C19H19NO2/c1-13(21-2)17-9-18(12-20-11-17)15-4-5-16-10-19(22-3)7-6-14(16)8-15/h4-13H,1-3H3
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n/an/a 10n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM8611
PNG
(4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...)
Show SMILES N#Cc1ccc(cc1)C1CCCc2cncn12
Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2
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n/an/a 10n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50272248
PNG
(3-(6-Methoxynaphthalen-2-yl)pyridin-4-amine | CHEM...)
Show SMILES COc1ccc2cc(ccc2c1)-c1cnccc1N
Show InChI InChI=1S/C16H14N2O/c1-19-14-5-4-11-8-13(3-2-12(11)9-14)15-10-18-7-6-16(15)17/h2-10H,1H3,(H2,17,18)
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n/an/a 13n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50121975
PNG
((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...)
Show SMILES COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 |r,THB:20:19:12.13:16.15,10:12:18.19:16.15|
Show InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2D6 expressed in insect microsomes


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50272289
PNG
(CHEMBL500146 | Methyl 5-(6-methoxynaphthalen-2-yl)...)
Show SMILES COC(=O)c1cncc(c1)-c1ccc2cc(OC)ccc2c1
Show InChI InChI=1S/C18H15NO3/c1-21-17-6-5-12-7-13(3-4-14(12)9-17)15-8-16(11-19-10-15)18(20)22-2/h3-11H,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 V79 MZh cells


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50272322
PNG
(CHEMBL449894 | [4-(6-Methoxynaphthalen-2-yl)pyridi...)
Show SMILES COc1ccc2cc(ccc2c1)-c1cnccc1CO
Show InChI InChI=1S/C17H15NO2/c1-20-16-5-4-12-8-14(3-2-13(12)9-16)17-10-18-7-6-15(17)11-19/h2-10,19H,11H2,1H3
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n/an/a 22n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM8611
PNG
(4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...)
Show SMILES N#Cc1ccc(cc1)C1CCCc2cncn12
Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2
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n/an/a 30n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental CYP19


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50272321
PNG
(3-(Methoxymethyl)-5-(6-methoxynaphthalen-2-yl)pyri...)
Show SMILES COCc1cncc(c1)-c1ccc2cc(OC)ccc2c1
Show InChI InChI=1S/C18H17NO2/c1-20-12-13-7-17(11-19-10-13)15-3-4-16-9-18(21-2)6-5-14(16)8-15/h3-11H,12H2,1-2H3
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n/an/a 31n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50272247
PNG
(6-(4-Methylpyridin-3-yl)-2-naphthonitrile | CHEMBL...)
Show SMILES Cc1ccncc1-c1ccc2cc(ccc2c1)C#N
Show InChI InChI=1S/C17H12N2/c1-12-6-7-19-11-17(12)16-5-4-14-8-13(10-18)2-3-15(14)9-16/h2-9,11H,1H3
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n/an/a 52n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50272370
PNG
(4-(6-Methoxy-3-methyl-3,4-dihydronaphthalen-2-yl)i...)
Show SMILES COc1ccc2C=C(C(C)Cc2c1)c1cncc2ccccc12 |c:6|
Show InChI InChI=1S/C21H19NO/c1-14-9-17-10-18(23-2)8-7-15(17)11-20(14)21-13-22-12-16-5-3-4-6-19(16)21/h3-8,10-14H,9H2,1-2H3
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n/an/a 64n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50272368
PNG
(4-(6-Methoxynaphthalen-2-yl)isoquinoline | CHEMBL5...)
Show SMILES COc1ccc2cc(ccc2c1)-c1cncc2ccccc12
Show InChI InChI=1S/C20H15NO/c1-22-18-9-8-14-10-16(7-6-15(14)11-18)20-13-21-12-17-4-2-3-5-19(17)20/h2-13H,1H3
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n/an/a 67n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50272250
PNG
(3-methoxy-5-(6-methoxynaphthalen-2-yl)pyridine | C...)
Show SMILES COc1ccc2cc(ccc2c1)-c1cncc(OC)c1
Show InChI InChI=1S/C17H15NO2/c1-19-16-6-5-12-7-13(3-4-14(12)8-16)15-9-17(20-2)11-18-10-15/h3-11H,1-2H3
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n/an/a 83n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP1A2 expressed in insect microsomes


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50272249
PNG
(5-(6-Methoxynaphthalen-2-yl)pyridin-3-ol | CHEMBL5...)
Show SMILES COc1ccc2cc(ccc2c1)-c1cncc(O)c1
Show InChI InChI=1S/C16H13NO2/c1-19-16-5-4-11-6-12(2-3-13(11)8-16)14-7-15(18)10-17-9-14/h2-10,18H,1H3
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n/an/a 94n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50272290
PNG
(5-(6-Methoxynaphthalen-2-yl)pyridine-3-carboxamide...)
Show SMILES COc1ccc2cc(ccc2c1)-c1cncc(c1)C(N)=O
Show InChI InChI=1S/C17H14N2O2/c1-21-16-5-4-11-6-12(2-3-13(11)8-16)14-7-15(17(18)20)10-19-9-14/h2-10H,1H3,(H2,18,20)
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n/an/a 94n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50272365
PNG
(1-[5-(6-Methoxynaphthalen-2-yl)-pyridin-3-yl]ethan...)
Show SMILES COc1ccc2cc(ccc2c1)-c1cncc(c1)C(C)O
Show InChI InChI=1S/C18H17NO2/c1-12(20)16-8-17(11-19-10-16)14-3-4-15-9-18(21-2)6-5-13(15)7-14/h3-12,20H,1-2H3
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n/an/a 99n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50272287
PNG
(3-Methoxy-5-(6-methoxy-3-methyl-3,4-dihydronaphtha...)
Show SMILES COc1ccc2C=C(C(C)Cc2c1)c1cncc(OC)c1 |c:6|
Show InChI InChI=1S/C18H19NO2/c1-12-6-14-7-16(20-2)5-4-13(14)9-18(12)15-8-17(21-3)11-19-10-15/h4-5,7-12H,6H2,1-3H3
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n/an/a 100n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50272246
PNG
(3-(6-Methoxynaphthalen-2-yl)-4-methylpyridine | CH...)
Show SMILES COc1ccc2cc(ccc2c1)-c1cnccc1C
Show InChI InChI=1S/C17H15NO/c1-12-7-8-18-11-17(12)15-4-3-14-10-16(19-2)6-5-13(14)9-15/h3-11H,1-2H3
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n/an/a 114n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50272367
PNG
(3-(6-Methoxynaphthalen-2-yl)-5-phenylpyridine | CH...)
Show SMILES COc1ccc2cc(ccc2c1)-c1cncc(c1)-c1ccccc1
Show InChI InChI=1S/C22H17NO/c1-24-22-10-9-17-11-18(7-8-19(17)13-22)21-12-20(14-23-15-21)16-5-3-2-4-6-16/h2-15H,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 CYP11B1 expressed in hamster V79 MZh cells


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50272319
PNG
(CHEMBL526339 | Methyl [5-(6-methoxynaphthalen-2-yl...)
Show SMILES COC(=O)Cc1cncc(c1)-c1ccc2cc(OC)ccc2c1
Show InChI InChI=1S/C19H17NO3/c1-22-18-6-5-14-9-15(3-4-16(14)10-18)17-7-13(11-20-12-17)8-19(21)23-2/h3-7,9-12H,8H2,1-2H3
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n/an/a 199n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50272250
PNG
(3-methoxy-5-(6-methoxynaphthalen-2-yl)pyridine | C...)
Show SMILES COc1ccc2cc(ccc2c1)-c1cncc(OC)c1
Show InChI InChI=1S/C17H15NO2/c1-19-16-6-5-12-7-13(3-4-14(12)8-16)15-9-17(20-2)11-18-10-15/h3-11H,1-2H3
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n/an/a 238n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50272195
PNG
(3-(6-Methoxy-3-methyl-3,4-dihydronaphthalen-2-yl)p...)
Show SMILES COc1ccc2C=C(C(C)Cc2c1)c1cccnc1 |c:6|
Show InChI InChI=1S/C17H17NO/c1-12-8-15-9-16(19-2)6-5-13(15)10-17(12)14-4-3-7-18-11-14/h3-7,9-12H,8H2,1-2H3
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n/an/a 248n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50272291
PNG
(1-[5-(6-Methoxynaphthalen-2-yl)pyridin-3-yl]ethano...)
Show SMILES COc1ccc2cc(ccc2c1)-c1cncc(c1)C(C)=O
Show InChI InChI=1S/C18H15NO2/c1-12(20)16-8-17(11-19-10-16)14-3-4-15-9-18(21-2)6-5-13(15)7-14/h3-11H,1-2H3
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n/an/a 255n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50090677
PNG
(4-Amino-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfon...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1ccnn1-c1ccccc1
Show InChI InChI=1S/C15H14N4O2S/c16-12-6-8-14(9-7-12)22(20,21)18-15-10-11-17-19(15)13-4-2-1-3-5-13/h1-11,18H,16H2
PDB
MMDB

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n/an/a 318n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2C9 expressed in insect microsomes


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50272288
PNG
(3-Ethoxy-5-(6-methoxynaphthalen-2-yl)pyridine | CH...)
Show SMILES CCOc1cncc(c1)-c1ccc2cc(OC)ccc2c1
Show InChI InChI=1S/C18H17NO2/c1-3-21-18-10-16(11-19-12-18)14-4-5-15-9-17(20-2)7-6-13(15)8-14/h4-12H,3H2,1-2H3
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n/an/a 373n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50272323
PNG
(4-(Methoxymethyl)-3-(6-methoxynaphthalen-2-yl)pyri...)
Show SMILES COCc1ccncc1-c1ccc2cc(OC)ccc2c1
Show InChI InChI=1S/C18H17NO2/c1-20-12-16-7-8-19-11-18(16)15-4-3-14-10-17(21-2)6-5-13(14)9-15/h3-11H,12H2,1-2H3
PDB

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n/an/a 435n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
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