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Compile Data Set for Download or QSAR

Found 256 hits with Last Name = 'schewe' and Initial = 'ke'   
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))
BDBM50273814
PNG
(6-Isoquinolin-4-yl-1-methyl-3,4-dihydroquinolin-2(...)
Show SMILES CN1C(=O)CCc2cc(ccc12)-c1cncc2ccccc12
Show InChI InChI=1S/C19H16N2O/c1-21-18-8-6-13(10-14(18)7-9-19(21)22)17-12-20-11-15-4-2-3-5-16(15)17/h2-6,8,10-12H,7,9H2,1H3
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n/an/a 0.100n/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: 8077-87 (2008)


Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50273781
PNG
(6-(5-methoxypyridin-3-yl)-1-methyl-3,4-dihydroquin...)
Show SMILES COc1cncc(c1)-c1ccc2N(C)C(=O)CCc2c1
Show InChI InChI=1S/C16H16N2O2/c1-18-15-5-3-11(7-12(15)4-6-16(18)19)13-8-14(20-2)10-17-9-13/h3,5,7-10H,4,6H2,1-2H3
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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: 8077-87 (2008)


Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50273813
PNG
(6-Isoquinolin-4-yl-3,4-dihydroquinolin-2(1H)-one |...)
Show SMILES O=C1CCc2cc(ccc2N1)-c1cncc2ccccc12
Show InChI InChI=1S/C18H14N2O/c21-18-8-6-13-9-12(5-7-17(13)20-18)16-11-19-10-14-3-1-2-4-15(14)16/h1-5,7,9-11H,6,8H2,(H,20,21)
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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: 8077-87 (2008)


Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008
More data for this
Ligand-Target Pair
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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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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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))
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))
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 adrenal corticoid CYP11B2 expressed in chinese hamster V79 MZh cells


J Med Chem 51: 6138-49 (2008)


Article DOI: 10.1021/jm800683c
BindingDB Entry DOI: 10.7270/Q22J6BP4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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: 8077-87 (2008)


Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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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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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))
BDBM50273700
PNG
(6-Pyridin-3-yl-3,4-dihydronaphthalene-2-carbonitri...)
Show SMILES N#CC1=Cc2ccc(cc2CC1)-c1cccnc1 |t:2|
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/h1-2,5-9,11H,3-4H2
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n/an/a 1.60n/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: 8077-87 (2008)


Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50273705
PNG
(6-(5-Methoxypyridin-3-yl)-3,4-dihydronaphthalen-2(...)
Show SMILES COc1cncc(c1)-c1ccc2CC(=O)CCc2c1
Show InChI InChI=1S/C16H15NO2/c1-19-16-8-14(9-17-10-16)12-2-3-13-7-15(18)5-4-11(13)6-12/h2-3,6,8-10H,4-5,7H2,1H3
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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: 8077-87 (2008)


Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008
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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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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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))
BDBM50273776
PNG
(1-Methyl-6-pyridin-3-yl-3,4-dihydroquinolin-2(1H)-...)
Show SMILES CN1C(=O)CCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C15H14N2O/c1-17-14-6-4-11(13-3-2-8-16-10-13)9-12(14)5-7-15(17)18/h2-4,6,8-10H,5,7H2,1H3
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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: 8077-87 (2008)


Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50273780
PNG
(6-(5-Methoxypyridin-3-yl)-3,4-dihydroquinolin-2(1H...)
Show SMILES COc1cncc(c1)-c1ccc2NC(=O)CCc2c1
Show InChI InChI=1S/C15H14N2O2/c1-19-13-7-12(8-16-9-13)10-2-4-14-11(6-10)3-5-15(18)17-14/h2,4,6-9H,3,5H2,1H3,(H,17,18)
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n/an/a 2.70n/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: 8077-87 (2008)


Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50253499
PNG
(4-(3-Pyridin-3-yl-naphthalen-2-ylmethyl)benzonitri...)
Show SMILES N#Cc1ccc(Cc2cc3ccccc3cc2-c2cccnc2)cc1
Show InChI InChI=1S/C23H16N2/c24-15-18-9-7-17(8-10-18)12-22-13-19-4-1-2-5-20(19)14-23(22)21-6-3-11-25-16-21/h1-11,13-14,16H,12H2
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n/an/a 2.70n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


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


J Med Chem 51: 6138-49 (2008)


Article DOI: 10.1021/jm800683c
BindingDB Entry DOI: 10.7270/Q22J6BP4
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))
BDBM50253574
PNG
(4-[3-(4-Methoxybenzyl)naphthalen-2-yl]isoquinoline...)
Show SMILES COc1ccc(Cc2cc3ccccc3cc2-c2cncc3ccccc23)cc1
Show InChI InChI=1S/C27H21NO/c1-29-24-12-10-19(11-13-24)14-23-15-20-6-2-3-7-21(20)16-26(23)27-18-28-17-22-8-4-5-9-25(22)27/h2-13,15-18H,14H2,1H3
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n/an/a 3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


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


J Med Chem 51: 6138-49 (2008)


Article DOI: 10.1021/jm800683c
BindingDB Entry DOI: 10.7270/Q22J6BP4
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))
BDBM50273815
PNG
(6-Pyridin-3-yl-3,4-dihydroquinoline-2(1H)-thione |...)
Show SMILES S=C1CCc2cc(ccc2N1)-c1cccnc1
Show InChI InChI=1S/C14H12N2S/c17-14-6-4-11-8-10(3-5-13(11)16-14)12-2-1-7-15-9-12/h1-3,5,7-9H,4,6H2,(H,16,17)
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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: 8077-87 (2008)


Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50273677
PNG
(3-(6-Methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyr...)
Show SMILES COC1CCc2cc(ccc2C1)-c1cccnc1
Show InChI InChI=1S/C16H17NO/c1-18-16-7-6-12-9-13(4-5-14(12)10-16)15-3-2-8-17-11-15/h2-5,8-9,11,16H,6-7,10H2,1H3
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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: 8077-87 (2008)


Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008
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))
BDBM50273778
PNG
(8-Chloro-6-pyridin-3-yl-3,4-dihydroquinolin-2(1H)-...)
Show SMILES Clc1cc(cc2CCC(=O)Nc12)-c1cccnc1
Show InChI InChI=1S/C14H11ClN2O/c15-12-7-11(10-2-1-5-16-8-10)6-9-3-4-13(18)17-14(9)12/h1-2,5-8H,3-4H2,(H,17,18)
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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: 8077-87 (2008)


Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50253545
PNG
(3-[3-(4-Trifluoromethoxybenzyl)naphthalen-2-yl]pyr...)
Show SMILES FC(F)(F)Oc1ccc(Cc2cc3ccccc3cc2-c2cccnc2)cc1
Show InChI InChI=1S/C23H16F3NO/c24-23(25,26)28-21-9-7-16(8-10-21)12-20-13-17-4-1-2-5-18(17)14-22(20)19-6-3-11-27-15-19/h1-11,13-15H,12H2
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n/an/a 3.90n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


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


J Med Chem 51: 6138-49 (2008)


Article DOI: 10.1021/jm800683c
BindingDB Entry DOI: 10.7270/Q22J6BP4
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))
BDBM50273816
PNG
(8-Chloro-6-pyridin-3-yl-3,4-dihydroquinoline-2(1H)...)
Show SMILES Clc1cc(cc2CCC(=S)Nc12)-c1cccnc1
Show InChI InChI=1S/C14H11ClN2S/c15-12-7-11(10-2-1-5-16-8-10)6-9-3-4-13(18)17-14(9)12/h1-2,5-8H,3-4H2,(H,17,18)
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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: 8077-87 (2008)


Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50273704
PNG
(5-Pyridin-3-yl-2,3-dihydro-1H-inden-1-one | CHEMBL...)
Show SMILES O=C1CCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C14H11NO/c16-14-6-4-11-8-10(3-5-13(11)14)12-2-1-7-15-9-12/h1-3,5,7-9H,4,6H2
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n/an/a 4.40n/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: 8077-87 (2008)


Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008
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))
BDBM50253575
PNG
(4-[6-Methoxy-3-(4-methoxybenzyl)naphthalen-2-yl]is...)
Show SMILES COc1ccc(Cc2cc3cc(OC)ccc3cc2-c2cncc3ccccc23)cc1
Show InChI InChI=1S/C28H23NO2/c1-30-24-10-7-19(8-11-24)13-23-14-22-15-25(31-2)12-9-20(22)16-27(23)28-18-29-17-21-5-3-4-6-26(21)28/h3-12,14-18H,13H2,1-2H3
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n/an/a 5n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


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


J Med Chem 51: 6138-49 (2008)


Article DOI: 10.1021/jm800683c
BindingDB Entry DOI: 10.7270/Q22J6BP4
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50273679
PNG
(6-Pyridin-3-yl-1,2,3,4-tetrahydronaphthalene-2-car...)
Show SMILES N#CC1CCc2cc(ccc2C1)-c1cccnc1
Show InChI InChI=1S/C16H14N2/c17-10-12-3-4-14-9-15(6-5-13(14)8-12)16-2-1-7-18-11-16/h1-2,5-7,9,11-12H,3-4,8H2
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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: 8077-87 (2008)


Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008
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
Aromatase


(Homo sapiens (Human))
BDBM50216367
PNG
(CHEMBL243961 | biphenyl-4-yl-(3-imidazol-1-ylmethy...)
Show SMILES O=C(c1ccc(cc1)-c1ccccc1)c1cccc(Cn2ccnc2)c1
Show InChI InChI=1S/C23H18N2O/c26-23(21-11-9-20(10-12-21)19-6-2-1-3-7-19)22-8-4-5-18(15-22)16-25-14-13-24-17-25/h1-15,17H,16H2
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n/an/a 5.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CYP19 in human placental microsomes


J Med Chem 50: 3420-2 (2007)


Article DOI: 10.1021/jm0702938
BindingDB Entry DOI: 10.7270/Q2TD9X34
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))
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 adrenal corticoid CYP11B2 expressed in chinese hamster V79 MZh cells


J Med Chem 51: 6138-49 (2008)


Article DOI: 10.1021/jm800683c
BindingDB Entry DOI: 10.7270/Q22J6BP4
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50273814
PNG
(6-Isoquinolin-4-yl-1-methyl-3,4-dihydroquinolin-2(...)
Show SMILES CN1C(=O)CCc2cc(ccc12)-c1cncc2ccccc12
Show InChI InChI=1S/C19H16N2O/c1-21-18-8-6-13(10-14(18)7-9-19(21)22)17-12-20-11-15-4-2-3-5-16(15)17/h2-6,8,10-12H,7,9H2,1H3
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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 CYP11B1 expressed in hamster V79 MZh cells


J Med Chem 51: 8077-87 (2008)


Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008
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 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50191600
PNG
(3-((1H-imidazol-1-yl)methyl)-2-(4-methoxyphenyl)-4...)
Show SMILES COc1ccc(cc1)-c1oc2ccccc2c(=O)c1Cn1ccnc1
Show InChI InChI=1S/C20H16N2O3/c1-24-15-8-6-14(7-9-15)20-17(12-22-11-10-21-13-22)19(23)16-4-2-3-5-18(16)25-20/h2-11,13H,12H2,1H3
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n/an/a 7n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


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


J Med Chem 51: 6138-49 (2008)


Article DOI: 10.1021/jm800683c
BindingDB Entry DOI: 10.7270/Q22J6BP4
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
Aromatase


(Homo sapiens (Human))
BDBM50216364
PNG
((3-((1H-imidazol-1-yl)methyl)phenyl)(phenyl)methan...)
Show SMILES O=C(c1ccccc1)c1cccc(Cn2ccnc2)c1
Show InChI InChI=1S/C17H14N2O/c20-17(15-6-2-1-3-7-15)16-8-4-5-14(11-16)12-19-10-9-18-13-19/h1-11,13H,12H2
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n/an/a 7.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CYP19 in human placental microsomes


J Med Chem 50: 3420-2 (2007)


Article DOI: 10.1021/jm0702938
BindingDB Entry DOI: 10.7270/Q2TD9X34
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50253548
PNG
(3-Methoxy-5-[6-methoxy-3-(4-methoxybenzyl)naphthal...)
Show SMILES COc1ccc(Cc2cc3cc(OC)ccc3cc2-c2cncc(OC)c2)cc1
Show InChI InChI=1S/C25H23NO3/c1-27-22-7-4-17(5-8-22)10-20-11-19-12-23(28-2)9-6-18(19)14-25(20)21-13-24(29-3)16-26-15-21/h4-9,11-16H,10H2,1-3H3
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n/an/a 7.60n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


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


J Med Chem 51: 6138-49 (2008)


Article DOI: 10.1021/jm800683c
BindingDB Entry DOI: 10.7270/Q22J6BP4
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50253547
PNG
(3-Methoxy-5-[3-(4-methoxybenzyl)naphthalen-2-yl]py...)
Show SMILES COc1ccc(Cc2cc3ccccc3cc2-c2cncc(OC)c2)cc1
Show InChI InChI=1S/C24H21NO2/c1-26-22-9-7-17(8-10-22)11-20-12-18-5-3-4-6-19(18)14-24(20)21-13-23(27-2)16-25-15-21/h3-10,12-16H,11H2,1-2H3
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n/an/a 7.70n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


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


J Med Chem 51: 6138-49 (2008)


Article DOI: 10.1021/jm800683c
BindingDB Entry DOI: 10.7270/Q22J6BP4
More data for this
Ligand-Target Pair
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