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Compile Data Set for Download or QSAR

Found 53 hits Enz. Inhib. hit(s) with all data for entry = 50001292   
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))
BDBM50444549
PNG
(CHEMBL3099695)
Show SMILES Fc1cc(ccc1[C@H]1CCc2cncn12)C#N |r|
Show InChI InChI=1S/C13H10FN3/c14-12-5-9(6-15)1-3-11(12)13-4-2-10-7-16-8-17(10)13/h1,3,5,7-8,13H,2,4H2/t13-/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in Chinese hamster V79 cell mitochondria assessed as reduction in aldosterone production using deoxycorticoster...


J Med Chem 61: 5594-5608 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00328
BindingDB Entry DOI: 10.7270/Q2F47RN9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50275544
PNG
(CHEMBL4127675)
Show SMILES Cc1cc(ccc1-c1cnn2C[C@@H](Cc12)Oc1ncc(cn1)C#N)C#N |r|
Show InChI InChI=1S/C19H14N6O/c1-12-4-13(6-20)2-3-16(12)17-10-24-25-11-15(5-18(17)25)26-19-22-8-14(7-21)9-23-19/h2-4,8-10,15H,5,11H2,1H3/t15-/m1/s1
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n/an/a 2.20n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in Chinese hamster V79 cell mitochondria assessed as reduction in aldosterone production using deoxycorticoster...


J Med Chem 61: 5594-5608 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00328
BindingDB Entry DOI: 10.7270/Q2F47RN9
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50275535
PNG
(CHEMBL4126893)
Show SMILES Cc1cc(ccc1-c1cnn2C[C@@H](Cc12)Oc1cnccn1)C#N |r|
Show InChI InChI=1S/C18H15N5O/c1-12-6-13(8-19)2-3-15(12)16-9-22-23-11-14(7-17(16)23)24-18-10-20-4-5-21-18/h2-6,9-10,14H,7,11H2,1H3/t14-/m1/s1
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n/an/a 2.20n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in Chinese hamster V79 cell mitochondria assessed as reduction in aldosterone production using deoxycorticoster...


J Med Chem 61: 5594-5608 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00328
BindingDB Entry DOI: 10.7270/Q2F47RN9
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50275496
PNG
(CHEMBL4127904)
Show SMILES Cc1cc(ccc1-c1cnn2C[C@@H](Cc12)OCc1ccccc1)C#N |r|
Show InChI InChI=1S/C21H19N3O/c1-15-9-17(11-22)7-8-19(15)20-12-23-24-13-18(10-21(20)24)25-14-16-5-3-2-4-6-16/h2-9,12,18H,10,13-14H2,1H3/t18-/m1/s1
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n/an/a 2.30n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in Chinese hamster V79 cell mitochondria assessed as reduction in aldosterone production using deoxycorticoster...


J Med Chem 61: 5594-5608 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00328
BindingDB Entry DOI: 10.7270/Q2F47RN9
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50275497
PNG
(CHEMBL4125850)
Show SMILES Cc1cc(ccc1-c1cnc2CCCn12)C#N
Show InChI InChI=1S/C14H13N3/c1-10-7-11(8-15)4-5-12(10)13-9-16-14-3-2-6-17(13)14/h4-5,7,9H,2-3,6H2,1H3
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n/an/a 2.5n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in Chinese hamster V79 cell mitochondria assessed as reduction in aldosterone production using deoxycorticoster...


J Med Chem 61: 5594-5608 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00328
BindingDB Entry DOI: 10.7270/Q2F47RN9
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50275533
PNG
(CHEMBL4129296)
Show SMILES CO[C@@H]1Cc2c(cnn2C1)-c1ccc(cc1C)C#N |r|
Show InChI InChI=1S/C15H15N3O/c1-10-5-11(7-16)3-4-13(10)14-8-17-18-9-12(19-2)6-15(14)18/h3-5,8,12H,6,9H2,1-2H3/t12-/m1/s1
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n/an/a 3.20n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in Chinese hamster V79 cell mitochondria assessed as reduction in aldosterone production using deoxycorticoster...


J Med Chem 61: 5594-5608 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00328
BindingDB Entry DOI: 10.7270/Q2F47RN9
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50275511
PNG
(CHEMBL4128315)
Show SMILES Cc1cc(ccc1-c1cnn2CCCc12)C#N
Show InChI InChI=1S/C14H13N3/c1-10-7-11(8-15)4-5-12(10)13-9-16-17-6-2-3-14(13)17/h4-5,7,9H,2-3,6H2,1H3
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n/an/a 3.70n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in Chinese hamster V79 cell mitochondria assessed as reduction in aldosterone production using deoxycorticoster...


J Med Chem 61: 5594-5608 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00328
BindingDB Entry DOI: 10.7270/Q2F47RN9
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50275494
PNG
(CHEMBL4129177)
Show SMILES Cc1cc(ccc1-c1cnn2C[C@@H](Cc12)Oc1ncccn1)C#N |r|
Show InChI InChI=1S/C18H15N5O/c1-12-7-13(9-19)3-4-15(12)16-10-22-23-11-14(8-17(16)23)24-18-20-5-2-6-21-18/h2-7,10,14H,8,11H2,1H3/t14-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in Chinese hamster V79 cell mitochondria assessed as reduction in aldosterone production using deoxycorticoster...


J Med Chem 61: 5594-5608 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00328
BindingDB Entry DOI: 10.7270/Q2F47RN9
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50275543
PNG
(CHEMBL4125736)
Show SMILES Cc1cnc(O[C@@H]2Cc3c(cnn3C2)-c2ccc(cc2C)C#N)nc1 |r|
Show InChI InChI=1S/C19H17N5O/c1-12-8-21-19(22-9-12)25-15-6-18-17(10-23-24(18)11-15)16-4-3-14(7-20)5-13(16)2/h3-5,8-10,15H,6,11H2,1-2H3/t15-/m1/s1
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n/an/a 4.20n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in Chinese hamster V79 cell mitochondria assessed as reduction in aldosterone production using deoxycorticoster...


J Med Chem 61: 5594-5608 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00328
BindingDB Entry DOI: 10.7270/Q2F47RN9
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50275514
PNG
(CHEMBL4129619)
Show SMILES Cc1cc(ccc1-c1cnn2C[C@@H](Cc12)Oc1ncc(F)cn1)C#N |r|
Show InChI InChI=1S/C18H14FN5O/c1-11-4-12(6-20)2-3-15(11)16-9-23-24-10-14(5-17(16)24)25-18-21-7-13(19)8-22-18/h2-4,7-9,14H,5,10H2,1H3/t14-/m1/s1
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n/an/a 4.70n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in Chinese hamster V79 cell mitochondria assessed as reduction in aldosterone production using deoxycorticoster...


J Med Chem 61: 5594-5608 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00328
BindingDB Entry DOI: 10.7270/Q2F47RN9
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50275531
PNG
(CHEMBL4128167)
Show SMILES Clc1cc(ccc1-c1cnn2CCCc12)C#N
Show InChI InChI=1S/C13H10ClN3/c14-12-6-9(7-15)3-4-10(12)11-8-16-17-5-1-2-13(11)17/h3-4,6,8H,1-2,5H2
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n/an/a 5.40n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in Chinese hamster V79 cell mitochondria assessed as reduction in aldosterone production using deoxycorticoster...


J Med Chem 61: 5594-5608 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00328
BindingDB Entry DOI: 10.7270/Q2F47RN9
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50275517
PNG
(CHEMBL4127082)
Show SMILES Cc1cc(ccc1C#N)-c1cnn2CCCc12
Show InChI InChI=1S/C14H13N3/c1-10-7-11(4-5-12(10)8-15)13-9-16-17-6-2-3-14(13)17/h4-5,7,9H,2-3,6H2,1H3
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n/an/a 6.70n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in Chinese hamster V79 cell mitochondria assessed as reduction in aldosterone production using deoxycorticoster...


J Med Chem 61: 5594-5608 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00328
BindingDB Entry DOI: 10.7270/Q2F47RN9
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50275530
PNG
(CHEMBL4129549)
Show SMILES Fc1cc(ccc1-c1cnn2CCCc12)C#N
Show InChI InChI=1S/C13H10FN3/c14-12-6-9(7-15)3-4-10(12)11-8-16-17-5-1-2-13(11)17/h3-4,6,8H,1-2,5H2
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n/an/a 9.20n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in Chinese hamster V79 cell mitochondria assessed as reduction in aldosterone production using deoxycorticoster...


J Med Chem 61: 5594-5608 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00328
BindingDB Entry DOI: 10.7270/Q2F47RN9
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50275532
PNG
(CHEMBL4129146)
Show SMILES Cc1cc(ccc1-c1cnn2C[C@H](O)Cc12)C#N |r|
Show InChI InChI=1S/C14H13N3O/c1-9-4-10(6-15)2-3-12(9)13-7-16-17-8-11(18)5-14(13)17/h2-4,7,11,18H,5,8H2,1H3/t11-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in Chinese hamster V79 cell mitochondria assessed as reduction in aldosterone production using deoxycorticoster...


J Med Chem 61: 5594-5608 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00328
BindingDB Entry DOI: 10.7270/Q2F47RN9
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50275495
PNG
(CHEMBL4126118)
Show SMILES N#Cc1ccc(cc1)-c1cnn2CCCc12
Show InChI InChI=1S/C13H11N3/c14-8-10-3-5-11(6-4-10)12-9-15-16-7-1-2-13(12)16/h3-6,9H,1-2,7H2
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n/an/a 13n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in Chinese hamster V79 cell mitochondria assessed as reduction in aldosterone production using deoxycorticoster...


J Med Chem 61: 5594-5608 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00328
BindingDB Entry DOI: 10.7270/Q2F47RN9
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50275534
PNG
(CHEMBL4127939)
Show SMILES Cc1cc(ccc1-c1cnn2C[C@@H](Cc12)OCC(N)=O)C#N |r|
Show InChI InChI=1S/C16H16N4O2/c1-10-4-11(6-17)2-3-13(10)14-7-19-20-8-12(5-15(14)20)22-9-16(18)21/h2-4,7,12H,5,8-9H2,1H3,(H2,18,21)/t12-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in Chinese hamster V79 cell mitochondria assessed as reduction in aldosterone production using deoxycorticoster...


J Med Chem 61: 5594-5608 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00328
BindingDB Entry DOI: 10.7270/Q2F47RN9
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50444549
PNG
(CHEMBL3099695)
Show SMILES Fc1cc(ccc1[C@H]1CCc2cncn12)C#N |r|
Show InChI InChI=1S/C13H10FN3/c14-12-5-9(6-15)1-3-11(12)13-4-2-10-7-16-8-17(10)13/h1,3,5,7-8,13H,2,4H2/t13-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in Chinese hamster V79 cells assessed as reduction in corticosterone production using deoxycorticosterone as su...


J Med Chem 61: 5594-5608 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00328
BindingDB Entry DOI: 10.7270/Q2F47RN9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50275512
PNG
(CHEMBL4125707)
Show SMILES Fc1cc(ccc1C#N)-c1cnn2CCCc12
Show InChI InChI=1S/C13H10FN3/c14-12-6-9(3-4-10(12)7-15)11-8-16-17-5-1-2-13(11)17/h3-4,6,8H,1-2,5H2
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n/an/a 26n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in Chinese hamster V79 cell mitochondria assessed as reduction in aldosterone production using deoxycorticoster...


J Med Chem 61: 5594-5608 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00328
BindingDB Entry DOI: 10.7270/Q2F47RN9
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50275515
PNG
(CHEMBL4128736)
Show SMILES Cc1cc(ccc1-c1cnn2C[C@@H](O)Cc12)C#N |r|
Show InChI InChI=1S/C14H13N3O/c1-9-4-10(6-15)2-3-12(9)13-7-16-17-8-11(18)5-14(13)17/h2-4,7,11,18H,5,8H2,1H3/t11-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in Chinese hamster V79 cell mitochondria assessed as reduction in aldosterone production using deoxycorticoster...


J Med Chem 61: 5594-5608 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00328
BindingDB Entry DOI: 10.7270/Q2F47RN9
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50275489
PNG
(CHEMBL4126932)
Show SMILES COc1cc(ccc1-c1cnn2CCCc12)C#N
Show InChI InChI=1S/C14H13N3O/c1-18-14-7-10(8-15)4-5-11(14)12-9-16-17-6-2-3-13(12)17/h4-5,7,9H,2-3,6H2,1H3
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n/an/a 34n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in Chinese hamster V79 cell mitochondria assessed as reduction in aldosterone production using deoxycorticoster...


J Med Chem 61: 5594-5608 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00328
BindingDB Entry DOI: 10.7270/Q2F47RN9
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50275497
PNG
(CHEMBL4125850)
Show SMILES Cc1cc(ccc1-c1cnc2CCCn12)C#N
Show InChI InChI=1S/C14H13N3/c1-10-7-11(8-15)4-5-12(10)13-9-16-14-3-2-6-17(13)14/h4-5,7,9H,2-3,6H2,1H3
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n/an/a 58n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in Chinese hamster V79 cells assessed as reduction in corticosterone production using deoxycorticosterone as su...


J Med Chem 61: 5594-5608 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00328
BindingDB Entry DOI: 10.7270/Q2F47RN9
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50275498
PNG
(CHEMBL4129577)
Show SMILES Cc1cc(ccc1-c1cnn2C[C@H](Cc12)Oc1ncc(F)cn1)C#N |r|
Show InChI InChI=1S/C18H14FN5O/c1-11-4-12(6-20)2-3-15(11)16-9-23-24-10-14(5-17(16)24)25-18-21-7-13(19)8-22-18/h2-4,7-9,14H,5,10H2,1H3/t14-/m0/s1
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n/an/a 71n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in Chinese hamster V79 cell mitochondria assessed as reduction in aldosterone production using deoxycorticoster...


J Med Chem 61: 5594-5608 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00328
BindingDB Entry DOI: 10.7270/Q2F47RN9
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50275508
PNG
(CHEMBL4126275)
Show SMILES CCn1ncc(c1C)-c1ccc(cc1)C#N
Show InChI InChI=1S/C13H13N3/c1-3-16-10(2)13(9-15-16)12-6-4-11(8-14)5-7-12/h4-7,9H,3H2,1-2H3
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n/an/a 72n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in Chinese hamster V79 cell mitochondria assessed as reduction in aldosterone production using deoxycorticoster...


J Med Chem 61: 5594-5608 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00328
BindingDB Entry DOI: 10.7270/Q2F47RN9
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50275533
PNG
(CHEMBL4129296)
Show SMILES CO[C@@H]1Cc2c(cnn2C1)-c1ccc(cc1C)C#N |r|
Show InChI InChI=1S/C15H15N3O/c1-10-5-11(7-16)3-4-13(10)14-8-17-18-9-12(19-2)6-15(14)18/h3-5,8,12H,6,9H2,1-2H3/t12-/m1/s1
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n/an/a<100n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in Chinese hamster V79 cells assessed as reduction in corticosterone production using deoxycorticosterone as su...


J Med Chem 61: 5594-5608 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00328
BindingDB Entry DOI: 10.7270/Q2F47RN9
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50275544
PNG
(CHEMBL4127675)
Show SMILES Cc1cc(ccc1-c1cnn2C[C@@H](Cc12)Oc1ncc(cn1)C#N)C#N |r|
Show InChI InChI=1S/C19H14N6O/c1-12-4-13(6-20)2-3-16(12)17-10-24-25-11-15(5-18(17)25)26-19-22-8-14(7-21)9-23-19/h2-4,8-10,15H,5,11H2,1H3/t15-/m1/s1
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in Chinese hamster V79 cells assessed as reduction in corticosterone production using deoxycorticosterone as su...


J Med Chem 61: 5594-5608 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00328
BindingDB Entry DOI: 10.7270/Q2F47RN9
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50275496
PNG
(CHEMBL4127904)
Show SMILES Cc1cc(ccc1-c1cnn2C[C@@H](Cc12)OCc1ccccc1)C#N |r|
Show InChI InChI=1S/C21H19N3O/c1-15-9-17(11-22)7-8-19(15)20-12-23-24-13-18(10-21(20)24)25-14-16-5-3-2-4-6-16/h2-9,12,18H,10,13-14H2,1H3/t18-/m1/s1
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in Chinese hamster V79 cells assessed as reduction in corticosterone production using deoxycorticosterone as su...


J Med Chem 61: 5594-5608 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00328
BindingDB Entry DOI: 10.7270/Q2F47RN9
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50275535
PNG
(CHEMBL4126893)
Show SMILES Cc1cc(ccc1-c1cnn2C[C@@H](Cc12)Oc1cnccn1)C#N |r|
Show InChI InChI=1S/C18H15N5O/c1-12-6-13(8-19)2-3-15(12)16-9-22-23-11-14(7-17(16)23)24-18-10-20-4-5-21-18/h2-6,9-10,14H,7,11H2,1H3/t14-/m1/s1
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in Chinese hamster V79 cells assessed as reduction in corticosterone production using deoxycorticosterone as su...


J Med Chem 61: 5594-5608 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00328
BindingDB Entry DOI: 10.7270/Q2F47RN9
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50275520
PNG
(CHEMBL4128486)
Show SMILES CCc1c(cnn1C)-c1ccc(cc1)C#N
Show InChI InChI=1S/C13H13N3/c1-3-13-12(9-15-16(13)2)11-6-4-10(8-14)5-7-11/h4-7,9H,3H2,1-2H3
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in Chinese hamster V79 cell mitochondria assessed as reduction in aldosterone production using deoxycorticoster...


J Med Chem 61: 5594-5608 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00328
BindingDB Entry DOI: 10.7270/Q2F47RN9
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50275543
PNG
(CHEMBL4125736)
Show SMILES Cc1cnc(O[C@@H]2Cc3c(cnn3C2)-c2ccc(cc2C)C#N)nc1 |r|
Show InChI InChI=1S/C19H17N5O/c1-12-8-21-19(22-9-12)25-15-6-18-17(10-23-24(18)11-15)16-4-3-14(7-20)5-13(16)2/h3-5,8-10,15H,6,11H2,1-2H3/t15-/m1/s1
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in Chinese hamster V79 cells assessed as reduction in corticosterone production using deoxycorticosterone as su...


J Med Chem 61: 5594-5608 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00328
BindingDB Entry DOI: 10.7270/Q2F47RN9
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50275521
PNG
(CHEMBL4128329)
Show SMILES Cn1ncc(c1C(F)(F)F)-c1ccc(cc1)C#N
Show InChI InChI=1S/C12H8F3N3/c1-18-11(12(13,14)15)10(7-17-18)9-4-2-8(6-16)3-5-9/h2-5,7H,1H3
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n/an/a 280n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in Chinese hamster V79 cell mitochondria assessed as reduction in aldosterone production using deoxycorticoster...


J Med Chem 61: 5594-5608 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00328
BindingDB Entry DOI: 10.7270/Q2F47RN9
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50275519
PNG
(CHEMBL4127095)
Show SMILES Cc1c(cnn1C)-c1ccc(cc1)C#N
Show InChI InChI=1S/C12H11N3/c1-9-12(8-14-15(9)2)11-5-3-10(7-13)4-6-11/h3-6,8H,1-2H3
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in Chinese hamster V79 cell mitochondria assessed as reduction in aldosterone production using deoxycorticoster...


J Med Chem 61: 5594-5608 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00328
BindingDB Entry DOI: 10.7270/Q2F47RN9
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50275511
PNG
(CHEMBL4128315)
Show SMILES Cc1cc(ccc1-c1cnn2CCCc12)C#N
Show InChI InChI=1S/C14H13N3/c1-10-7-11(8-15)4-5-12(10)13-9-16-17-6-2-3-14(13)17/h4-5,7,9H,2-3,6H2,1H3
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in Chinese hamster V79 cells assessed as reduction in corticosterone production using deoxycorticosterone as su...


J Med Chem 61: 5594-5608 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00328
BindingDB Entry DOI: 10.7270/Q2F47RN9
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50275534
PNG
(CHEMBL4127939)
Show SMILES Cc1cc(ccc1-c1cnn2C[C@@H](Cc12)OCC(N)=O)C#N |r|
Show InChI InChI=1S/C16H16N4O2/c1-10-4-11(6-17)2-3-13(10)14-7-19-20-8-12(5-15(14)20)22-9-16(18)21/h2-4,7,12H,5,8-9H2,1H3,(H2,18,21)/t12-/m1/s1
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in Chinese hamster V79 cells assessed as reduction in corticosterone production using deoxycorticosterone as su...


J Med Chem 61: 5594-5608 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00328
BindingDB Entry DOI: 10.7270/Q2F47RN9
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50275494
PNG
(CHEMBL4129177)
Show SMILES Cc1cc(ccc1-c1cnn2C[C@@H](Cc12)Oc1ncccn1)C#N |r|
Show InChI InChI=1S/C18H15N5O/c1-12-7-13(9-19)3-4-15(12)16-10-22-23-11-14(8-17(16)23)24-18-20-5-2-6-21-18/h2-7,10,14H,8,11H2,1H3/t14-/m1/s1
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in Chinese hamster V79 cells assessed as reduction in corticosterone production using deoxycorticosterone as su...


J Med Chem 61: 5594-5608 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00328
BindingDB Entry DOI: 10.7270/Q2F47RN9
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50275531
PNG
(CHEMBL4128167)
Show SMILES Clc1cc(ccc1-c1cnn2CCCc12)C#N
Show InChI InChI=1S/C13H10ClN3/c14-12-6-9(7-15)3-4-10(12)11-8-16-17-5-1-2-13(11)17/h3-4,6,8H,1-2,5H2
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in Chinese hamster V79 cells assessed as reduction in corticosterone production using deoxycorticosterone as su...


J Med Chem 61: 5594-5608 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00328
BindingDB Entry DOI: 10.7270/Q2F47RN9
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50275517
PNG
(CHEMBL4127082)
Show SMILES Cc1cc(ccc1C#N)-c1cnn2CCCc12
Show InChI InChI=1S/C14H13N3/c1-10-7-11(4-5-12(10)8-15)13-9-16-17-6-2-3-14(13)17/h4-5,7,9H,2-3,6H2,1H3
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in Chinese hamster V79 cells assessed as reduction in corticosterone production using deoxycorticosterone as su...


J Med Chem 61: 5594-5608 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00328
BindingDB Entry DOI: 10.7270/Q2F47RN9
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50275529
PNG
(CHEMBL4129567)
Show SMILES CN(C)Cc1c(cnn1C)-c1ccc(cc1)C#N
Show InChI InChI=1S/C14H16N4/c1-17(2)10-14-13(9-16-18(14)3)12-6-4-11(8-15)5-7-12/h4-7,9H,10H2,1-3H3
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in Chinese hamster V79 cell mitochondria assessed as reduction in aldosterone production using deoxycorticoster...


J Med Chem 61: 5594-5608 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00328
BindingDB Entry DOI: 10.7270/Q2F47RN9
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50275516
PNG
(CHEMBL4129712)
Show SMILES Cn1ncc(c1CO)-c1ccc(cc1)C#N
Show InChI InChI=1S/C12H11N3O/c1-15-12(8-16)11(7-14-15)10-4-2-9(6-13)3-5-10/h2-5,7,16H,8H2,1H3
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in Chinese hamster V79 cell mitochondria assessed as reduction in aldosterone production using deoxycorticoster...


J Med Chem 61: 5594-5608 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00328
BindingDB Entry DOI: 10.7270/Q2F47RN9
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50275518
PNG
(CHEMBL4127248)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C11H9N3/c1-14-8-11(7-13-14)10-4-2-9(6-12)3-5-10/h2-5,7-8H,1H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in Chinese hamster V79 cell mitochondria assessed as reduction in aldosterone production using deoxycorticoster...


J Med Chem 61: 5594-5608 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00328
BindingDB Entry DOI: 10.7270/Q2F47RN9
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50275513
PNG
(CHEMBL4128829)
Show SMILES Cc1cc(ccc1-c1cnn2C[C@@H](Cc12)OCC(O)=O)C#N |r|
Show InChI InChI=1S/C16H15N3O3/c1-10-4-11(6-17)2-3-13(10)14-7-18-19-8-12(5-15(14)19)22-9-16(20)21/h2-4,7,12H,5,8-9H2,1H3,(H,20,21)/t12-/m1/s1
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in Chinese hamster V79 cell mitochondria assessed as reduction in aldosterone production using deoxycorticoster...


J Med Chem 61: 5594-5608 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00328
BindingDB Entry DOI: 10.7270/Q2F47RN9
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50275514
PNG
(CHEMBL4129619)
Show SMILES Cc1cc(ccc1-c1cnn2C[C@@H](Cc12)Oc1ncc(F)cn1)C#N |r|
Show InChI InChI=1S/C18H14FN5O/c1-11-4-12(6-20)2-3-15(11)16-9-23-24-10-14(5-17(16)24)25-18-21-7-13(19)8-22-18/h2-4,7-9,14H,5,10H2,1H3/t14-/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in Chinese hamster V79 cells assessed as reduction in corticosterone production using deoxycorticosterone as su...


J Med Chem 61: 5594-5608 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00328
BindingDB Entry DOI: 10.7270/Q2F47RN9
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50275530
PNG
(CHEMBL4129549)
Show SMILES Fc1cc(ccc1-c1cnn2CCCc12)C#N
Show InChI InChI=1S/C13H10FN3/c14-12-6-9(7-15)3-4-10(12)11-8-16-17-5-1-2-13(11)17/h3-4,6,8H,1-2,5H2
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n/an/a 1.20E+3n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in Chinese hamster V79 cells assessed as reduction in corticosterone production using deoxycorticosterone as su...


J Med Chem 61: 5594-5608 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00328
BindingDB Entry DOI: 10.7270/Q2F47RN9
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50275532
PNG
(CHEMBL4129146)
Show SMILES Cc1cc(ccc1-c1cnn2C[C@H](O)Cc12)C#N |r|
Show InChI InChI=1S/C14H13N3O/c1-9-4-10(6-15)2-3-12(9)13-7-16-17-8-11(18)5-14(13)17/h2-4,7,11,18H,5,8H2,1H3/t11-/m1/s1
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PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in Chinese hamster V79 cells assessed as reduction in corticosterone production using deoxycorticosterone as su...


J Med Chem 61: 5594-5608 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00328
BindingDB Entry DOI: 10.7270/Q2F47RN9
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50275512
PNG
(CHEMBL4125707)
Show SMILES Fc1cc(ccc1C#N)-c1cnn2CCCc12
Show InChI InChI=1S/C13H10FN3/c14-12-6-9(3-4-10(12)7-15)11-8-16-17-5-1-2-13(11)17/h3-4,6,8H,1-2,5H2
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n/an/a 2.10E+3n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in Chinese hamster V79 cells assessed as reduction in corticosterone production using deoxycorticosterone as su...


J Med Chem 61: 5594-5608 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00328
BindingDB Entry DOI: 10.7270/Q2F47RN9
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50275489
PNG
(CHEMBL4126932)
Show SMILES COc1cc(ccc1-c1cnn2CCCc12)C#N
Show InChI InChI=1S/C14H13N3O/c1-18-14-7-10(8-15)4-5-11(14)12-9-16-17-6-2-3-13(12)17/h4-5,7,9H,2-3,6H2,1H3
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n/an/a 2.20E+3n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in Chinese hamster V79 cells assessed as reduction in corticosterone production using deoxycorticosterone as su...


J Med Chem 61: 5594-5608 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00328
BindingDB Entry DOI: 10.7270/Q2F47RN9
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50275515
PNG
(CHEMBL4128736)
Show SMILES Cc1cc(ccc1-c1cnn2C[C@@H](O)Cc12)C#N |r|
Show InChI InChI=1S/C14H13N3O/c1-9-4-10(6-15)2-3-12(9)13-7-16-17-8-11(18)5-14(13)17/h2-4,7,11,18H,5,8H2,1H3/t11-/m0/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in Chinese hamster V79 cells assessed as reduction in corticosterone production using deoxycorticosterone as su...


J Med Chem 61: 5594-5608 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00328
BindingDB Entry DOI: 10.7270/Q2F47RN9
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50275495
PNG
(CHEMBL4126118)
Show SMILES N#Cc1ccc(cc1)-c1cnn2CCCc12
Show InChI InChI=1S/C13H11N3/c14-8-10-3-5-11(6-4-10)12-9-15-16-7-1-2-13(12)16/h3-6,9H,1-2,7H2
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n/an/a 5.70E+3n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in Chinese hamster V79 cells assessed as reduction in corticosterone production using deoxycorticosterone as su...


J Med Chem 61: 5594-5608 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00328
BindingDB Entry DOI: 10.7270/Q2F47RN9
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50275508
PNG
(CHEMBL4126275)
Show SMILES CCn1ncc(c1C)-c1ccc(cc1)C#N
Show InChI InChI=1S/C13H13N3/c1-3-16-10(2)13(9-15-16)12-6-4-11(8-14)5-7-12/h4-7,9H,3H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in Chinese hamster V79 cells assessed as reduction in corticosterone production using deoxycorticosterone as su...


J Med Chem 61: 5594-5608 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00328
BindingDB Entry DOI: 10.7270/Q2F47RN9
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50275520
PNG
(CHEMBL4128486)
Show SMILES CCc1c(cnn1C)-c1ccc(cc1)C#N
Show InChI InChI=1S/C13H13N3/c1-3-13-12(9-15-16(13)2)11-6-4-10(8-14)5-7-11/h4-7,9H,3H2,1-2H3
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in Chinese hamster V79 cells assessed as reduction in corticosterone production using deoxycorticosterone as su...


J Med Chem 61: 5594-5608 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00328
BindingDB Entry DOI: 10.7270/Q2F47RN9
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50275498
PNG
(CHEMBL4129577)
Show SMILES Cc1cc(ccc1-c1cnn2C[C@H](Cc12)Oc1ncc(F)cn1)C#N |r|
Show InChI InChI=1S/C18H14FN5O/c1-11-4-12(6-20)2-3-15(11)16-9-23-24-10-14(5-17(16)24)25-18-21-7-13(19)8-22-18/h2-4,7-9,14H,5,10H2,1H3/t14-/m0/s1
PDB

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in Chinese hamster V79 cells assessed as reduction in corticosterone production using deoxycorticosterone as su...


J Med Chem 61: 5594-5608 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00328
BindingDB Entry DOI: 10.7270/Q2F47RN9
More data for this
Ligand-Target Pair
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