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Compile Data Set for Download or QSAR

Found 200 hits Enz. Inhib. hit(s) with all data for entry = 2806   
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))
BDBM380805
PNG
(8-(1-Methyl-1H-indazol-6-yl)-3,4- dihydro-1H-pyran...)
Show SMILES Cn1ncc2ccc(cc12)-c1cncc2C(COCc12)C#N
Show InChI InChI=1S/C17H14N4O/c1-21-17-4-11(2-3-12(17)6-20-21)14-7-19-8-15-13(5-18)9-22-10-16(14)15/h2-4,6-8,13H,9-10H2,1H3
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Merck Research Laboratories



Assay Description
The aldosterone synthase inhibition assay employs cynomolgus adrenal gland mitochondria as the source of aldosterone synthase (CYP11B2). Mitochondria...


Bioorg Med Chem Lett 18: 1274-9 (2008)


BindingDB Entry DOI: 10.7270/Q2K35WZ4
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM380826
PNG
(8-Isoquinolin-6-yl-3,4-dihydro-1H- pyrano[4,3-c]py...)
Show SMILES OC1COCc2c1cncc2-c1ccc2cnccc2c1
Show InChI InChI=1S/C17H14N2O2/c20-17-10-21-9-16-14(7-19-8-15(16)17)12-1-2-13-6-18-4-3-11(13)5-12/h1-8,17,20H,9-10H2
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Merck Research Laboratories



Assay Description
The aldosterone synthase inhibition assay employs cynomolgus adrenal gland mitochondria as the source of aldosterone synthase (CYP11B2). Mitochondria...


Bioorg Med Chem Lett 18: 1274-9 (2008)


BindingDB Entry DOI: 10.7270/Q2K35WZ4
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM380803
PNG
(2-Chloro-4-(4-hydroxy-3,4-dihydro- 1H-pyrano[4,3-c...)
Show SMILES OC1COCc2c1cncc2-c1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C15H11ClN2O2/c16-14-3-9(1-2-10(14)4-17)11-5-18-6-12-13(11)7-20-8-15(12)19/h1-3,5-6,15,19H,7-8H2
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Merck Research Laboratories



Assay Description
The aldosterone synthase inhibition assay employs cynomolgus adrenal gland mitochondria as the source of aldosterone synthase (CYP11B2). Mitochondria...


Bioorg Med Chem Lett 18: 1274-9 (2008)


BindingDB Entry DOI: 10.7270/Q2K35WZ4
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM380923
PNG
(8-(3-Chloro-1H-indazol-6-yl)-3,4- dihydro-1H-pyran...)
Show SMILES OC1COCc2c1cncc2-c1ccc2c(Cl)n[nH]c2c1
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Merck Research Laboratories



Assay Description
The aldosterone synthase inhibition assay employs cynomolgus adrenal gland mitochondria as the source of aldosterone synthase (CYP11B2). Mitochondria...


Bioorg Med Chem Lett 18: 1274-9 (2008)


BindingDB Entry DOI: 10.7270/Q2K35WZ4
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM380811
PNG
(8-(3-Fluoro-1-methyl-1H-indazol-6- yl)-3,4-dihydro...)
Show SMILES Cn1nc(F)c2ccc(cc12)-c1cncc2C(O)COCc12
Show InChI InChI=1S/C16H14FN3O2/c1-20-14-4-9(2-3-10(14)16(17)19-20)11-5-18-6-12-13(11)7-22-8-15(12)21/h2-6,15,21H,7-8H2,1H3
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Merck Research Laboratories



Assay Description
The aldosterone synthase inhibition assay employs cynomolgus adrenal gland mitochondria as the source of aldosterone synthase (CYP11B2). Mitochondria...


Bioorg Med Chem Lett 18: 1274-9 (2008)


BindingDB Entry DOI: 10.7270/Q2K35WZ4
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM380965
PNG
(4-Methyl-8-(1-methyl-1H-indazol- 6-yl)-3,4-dihydro...)
Show SMILES Cn1ncc2ccc(cc12)-c1cncc2c1COCC2(C)O
Show InChI InChI=1S/C17H17N3O2/c1-17(21)10-22-9-14-13(7-18-8-15(14)17)11-3-4-12-6-19-20(2)16(12)5-11/h3-8,21H,9-10H2,1-2H3
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Assay Description
The aldosterone synthase inhibition assay employs cynomolgus adrenal gland mitochondria as the source of aldosterone synthase (CYP11B2). Mitochondria...


Bioorg Med Chem Lett 18: 1274-9 (2008)


BindingDB Entry DOI: 10.7270/Q2K35WZ4
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM380811
PNG
(8-(3-Fluoro-1-methyl-1H-indazol-6- yl)-3,4-dihydro...)
Show SMILES Cn1nc(F)c2ccc(cc12)-c1cncc2C(O)COCc12
Show InChI InChI=1S/C16H14FN3O2/c1-20-14-4-9(2-3-10(14)16(17)19-20)11-5-18-6-12-13(11)7-22-8-15(12)21/h2-6,15,21H,7-8H2,1H3
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Assay Description
The aldosterone synthase inhibition assay employs cynomolgus adrenal gland mitochondria as the source of aldosterone synthase (CYP11B2). Mitochondria...


Bioorg Med Chem Lett 18: 1274-9 (2008)


BindingDB Entry DOI: 10.7270/Q2K35WZ4
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM380812
PNG
(8-(1-methylindazol-6-yl)spiro[1,4- dihydropyrano[4...)
Show SMILES Cn1ncc2ccc(cc12)-c1cncc2C(O)C3(CC3)OCc12
Show InChI InChI=1S/C18H17N3O2/c1-21-16-6-11(2-3-12(16)7-20-21)13-8-19-9-14-15(13)10-23-18(4-5-18)17(14)22/h2-3,6-9,17,22H,4-5,10H2,1H3
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Assay Description
The aldosterone synthase inhibition assay employs cynomolgus adrenal gland mitochondria as the source of aldosterone synthase (CYP11B2). Mitochondria...


Bioorg Med Chem Lett 18: 1274-9 (2008)


BindingDB Entry DOI: 10.7270/Q2K35WZ4
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM380892
PNG
(8-(4-Fluoro-1-methyl-1H-indazol-6- yl)-3,4-dihydro...)
Show SMILES Cn1ncc2c(F)cc(cc12)-c1cncc2C(O)COCc12
Show InChI InChI=1S/C16H14FN3O2/c1-20-15-3-9(2-14(17)12(15)6-19-20)10-4-18-5-11-13(10)7-22-8-16(11)21/h2-6,16,21H,7-8H2,1H3
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Assay Description
The aldosterone synthase inhibition assay employs cynomolgus adrenal gland mitochondria as the source of aldosterone synthase (CYP11B2). Mitochondria...


Bioorg Med Chem Lett 18: 1274-9 (2008)


BindingDB Entry DOI: 10.7270/Q2K35WZ4
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM380825
PNG
(8-(1-Methyl-1H-indazol-6-yl)-3,4- dihydro-1H-pyran...)
Show SMILES Cn1ncc2ccc(cc12)-c1cncc2C(O)COCc12
Show InChI InChI=1S/C16H15N3O2/c1-19-15-4-10(2-3-11(15)5-18-19)12-6-17-7-13-14(12)8-21-9-16(13)20/h2-7,16,20H,8-9H2,1H3
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Assay Description
The aldosterone synthase inhibition assay employs cynomolgus adrenal gland mitochondria as the source of aldosterone synthase (CYP11B2). Mitochondria...


Bioorg Med Chem Lett 18: 1274-9 (2008)


BindingDB Entry DOI: 10.7270/Q2K35WZ4
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM380886
PNG
(8-(3-Methyl-benzo[d]isoxazol-5-yl)- 3,4-dihydro-1H...)
Show SMILES Cc1noc2ccc(cc12)-c1cncc2C(O)COCc12
Show InChI InChI=1S/C16H14N2O3/c1-9-11-4-10(2-3-16(11)21-18-9)12-5-17-6-13-14(12)7-20-8-15(13)19/h2-6,15,19H,7-8H2,1H3
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Assay Description
The aldosterone synthase inhibition assay employs cynomolgus adrenal gland mitochondria as the source of aldosterone synthase (CYP11B2). Mitochondria...


Bioorg Med Chem Lett 18: 1274-9 (2008)


BindingDB Entry DOI: 10.7270/Q2K35WZ4
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM380818
PNG
(8-Quinolin-6-yl-3,4-dihydro-1H- pyrano[4,3-c]pyrid...)
Show SMILES OC1COCc2c1cncc2-c1ccc2ncccc2c1
Show InChI InChI=1S/C17H14N2O2/c20-17-10-21-9-15-13(7-18-8-14(15)17)11-3-4-16-12(6-11)2-1-5-19-16/h1-8,17,20H,9-10H2
PDB

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Merck Research Laboratories



Assay Description
The aldosterone synthase inhibition assay employs cynomolgus adrenal gland mitochondria as the source of aldosterone synthase (CYP11B2). Mitochondria...


Bioorg Med Chem Lett 18: 1274-9 (2008)


BindingDB Entry DOI: 10.7270/Q2K35WZ4
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM380800
PNG
(4-(4-Hydroxy-3,4-dihydro-1H- pyrano[4,3-c]pyridin-...)
Show SMILES OC1COCc2c1cncc2-c1ccc(cc1)C#N
Show InChI InChI=1S/C15H12N2O2/c16-5-10-1-3-11(4-2-10)12-6-17-7-13-14(12)8-19-9-15(13)18/h1-4,6-7,15,18H,8-9H2
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Assay Description
The aldosterone synthase inhibition assay employs cynomolgus adrenal gland mitochondria as the source of aldosterone synthase (CYP11B2). Mitochondria...


Bioorg Med Chem Lett 18: 1274-9 (2008)


BindingDB Entry DOI: 10.7270/Q2K35WZ4
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM380899
PNG
(5-(4-Hydroxy-3,4-dihydro-1H- pyrano[4,3-c]pyridin-...)
Show SMILES OC1COCc2c1cncc2-c1ccc2C(=O)CCc2c1
Show InChI InChI=1S/C17H15NO3/c19-16-4-2-10-5-11(1-3-12(10)16)13-6-18-7-14-15(13)8-21-9-17(14)20/h1,3,5-7,17,20H,2,4,8-9H2
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Merck Research Laboratories



Assay Description
The aldosterone synthase inhibition assay employs cynomolgus adrenal gland mitochondria as the source of aldosterone synthase (CYP11B2). Mitochondria...


Bioorg Med Chem Lett 18: 1274-9 (2008)


BindingDB Entry DOI: 10.7270/Q2K35WZ4
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM380886
PNG
(8-(3-Methyl-benzo[d]isoxazol-5-yl)- 3,4-dihydro-1H...)
Show SMILES Cc1noc2ccc(cc12)-c1cncc2C(O)COCc12
Show InChI InChI=1S/C16H14N2O3/c1-9-11-4-10(2-3-16(11)21-18-9)12-5-17-6-13-14(12)7-20-8-15(13)19/h2-6,15,19H,7-8H2,1H3
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Merck Research Laboratories



Assay Description
The aldosterone synthase inhibition assay employs cynomolgus adrenal gland mitochondria as the source of aldosterone synthase (CYP11B2). Mitochondria...


Bioorg Med Chem Lett 18: 1274-9 (2008)


BindingDB Entry DOI: 10.7270/Q2K35WZ4
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM380967
PNG
(8-(3-Fluoro-1-methyl-1H-indazol-6- yl)-4-methyl-3,...)
Show SMILES Cn1nc(F)c2ccc(cc12)-c1cncc2c1COCC2(C)O
Show InChI InChI=1S/C17H16FN3O2/c1-17(22)9-23-8-13-12(6-19-7-14(13)17)10-3-4-11-15(5-10)21(2)20-16(11)18/h3-7,22H,8-9H2,1-2H3
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Assay Description
The aldosterone synthase inhibition assay employs cynomolgus adrenal gland mitochondria as the source of aldosterone synthase (CYP11B2). Mitochondria...


Bioorg Med Chem Lett 18: 1274-9 (2008)


BindingDB Entry DOI: 10.7270/Q2K35WZ4
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM380924
PNG
(N-[8-(3-Chloro-1H-indazol-6-yl)-3,4- dihydro-1H-py...)
Show SMILES CCC(=O)NC1COCc2c1cncc2-c1ccc2c(Cl)n[nH]c2c1
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Merck Research Laboratories



Assay Description
The aldosterone synthase inhibition assay employs cynomolgus adrenal gland mitochondria as the source of aldosterone synthase (CYP11B2). Mitochondria...


Bioorg Med Chem Lett 18: 1274-9 (2008)


BindingDB Entry DOI: 10.7270/Q2K35WZ4
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM380888
PNG
(8-(4-fluoro-1-methyl-indazol-6- yl)spiro[1,4-dihyd...)
Show SMILES Cn1ncc2c(F)cc(cc12)-c1cncc2C(O)C3(CC3)OCc12
Show InChI InChI=1S/C18H16FN3O2/c1-22-16-5-10(4-15(19)13(16)8-21-22)11-6-20-7-12-14(11)9-24-18(2-3-18)17(12)23/h4-8,17,23H,2-3,9H2,1H3
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Assay Description
The aldosterone synthase inhibition assay employs cynomolgus adrenal gland mitochondria as the source of aldosterone synthase (CYP11B2). Mitochondria...


Bioorg Med Chem Lett 18: 1274-9 (2008)


BindingDB Entry DOI: 10.7270/Q2K35WZ4
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM380821
PNG
(8-(2,3-Dihydro-benzo[1,4]dioxin-6- yl)-3,4-dihydro...)
Show SMILES OC1COCc2c1cncc2-c1ccc2OCCOc2c1
Show InChI InChI=1S/C16H15NO4/c18-14-9-19-8-13-11(6-17-7-12(13)14)10-1-2-15-16(5-10)21-4-3-20-15/h1-2,5-7,14,18H,3-4,8-9H2
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Assay Description
The aldosterone synthase inhibition assay employs cynomolgus adrenal gland mitochondria as the source of aldosterone synthase (CYP11B2). Mitochondria...


Bioorg Med Chem Lett 18: 1274-9 (2008)


BindingDB Entry DOI: 10.7270/Q2K35WZ4
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM380812
PNG
(8-(1-methylindazol-6-yl)spiro[1,4- dihydropyrano[4...)
Show SMILES Cn1ncc2ccc(cc12)-c1cncc2C(O)C3(CC3)OCc12
Show InChI InChI=1S/C18H17N3O2/c1-21-16-6-11(2-3-12(16)7-20-21)13-8-19-9-14-15(13)10-23-18(4-5-18)17(14)22/h2-3,6-9,17,22H,4-5,10H2,1H3
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Assay Description
The aldosterone synthase inhibition assay employs cynomolgus adrenal gland mitochondria as the source of aldosterone synthase (CYP11B2). Mitochondria...


Bioorg Med Chem Lett 18: 1274-9 (2008)


BindingDB Entry DOI: 10.7270/Q2K35WZ4
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM380913
PNG
(6-(4-Hydroxy-3,4-dihydro-1H- pyrano[4,3-c]pyridin-...)
Show SMILES OC1COCc2c1cncc2-c1ccc2C(=O)CCCc2c1
Show InChI InChI=1S/C18H17NO3/c20-17-3-1-2-11-6-12(4-5-13(11)17)14-7-19-8-15-16(14)9-22-10-18(15)21/h4-8,18,21H,1-3,9-10H2
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Assay Description
The aldosterone synthase inhibition assay employs cynomolgus adrenal gland mitochondria as the source of aldosterone synthase (CYP11B2). Mitochondria...


Bioorg Med Chem Lett 18: 1274-9 (2008)


BindingDB Entry DOI: 10.7270/Q2K35WZ4
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM380983
PNG
(8-(1-Methyl-4,5-dihydro-1H-indazol- 6-yl)-3,4-dihy...)
Show SMILES Cn1ncc2CCC(=Cc12)c1cncc2C(O)COCc12 |c:7|
Show InChI InChI=1S/C16H17N3O2/c1-19-15-4-10(2-3-11(15)5-18-19)12-6-17-7-13-14(12)8-21-9-16(13)20/h4-7,16,20H,2-3,8-9H2,1H3
PDB

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Assay Description
The aldosterone synthase inhibition assay employs cynomolgus adrenal gland mitochondria as the source of aldosterone synthase (CYP11B2). Mitochondria...


Bioorg Med Chem Lett 18: 1274-9 (2008)


BindingDB Entry DOI: 10.7270/Q2K35WZ4
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM380906
PNG
(7-(4-Hydroxy-3,4-dihydro-1H- pyrano[4,3-c]pyridin-...)
Show SMILES OC1COCc2c1cncc2-c1ccc2c(c1)occc2=O
Show InChI InChI=1S/C17H13NO4/c19-15-3-4-22-17-5-10(1-2-11(15)17)12-6-18-7-13-14(12)8-21-9-16(13)20/h1-7,16,20H,8-9H2
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Assay Description
The aldosterone synthase inhibition assay employs cynomolgus adrenal gland mitochondria as the source of aldosterone synthase (CYP11B2). Mitochondria...


Bioorg Med Chem Lett 18: 1274-9 (2008)


BindingDB Entry DOI: 10.7270/Q2K35WZ4
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM380954
PNG
(Ethanesulfonic acid [8-(2-oxo-2H- chromen-6-yl)-3,...)
Show SMILES CCS(=O)(=O)NC1COCc2c1cncc2-c1ccc2oc(=O)ccc2c1
Show InChI InChI=1S/C19H18N2O5S/c1-2-27(23,24)21-17-11-25-10-16-14(8-20-9-15(16)17)12-3-5-18-13(7-12)4-6-19(22)26-18/h3-9,17,21H,2,10-11H2,1H3
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Assay Description
The aldosterone synthase inhibition assay employs cynomolgus adrenal gland mitochondria as the source of aldosterone synthase (CYP11B2). Mitochondria...


Bioorg Med Chem Lett 18: 1274-9 (2008)


BindingDB Entry DOI: 10.7270/Q2K35WZ4
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM380971
PNG
(8-(4-Fluoro-1-methyl-1H-indazol-6- yl)-4-methyl-3,...)
Show SMILES Cn1ncc2c(F)cc(cc12)-c1cncc2c1COCC2(C)O
Show InChI InChI=1S/C17H16FN3O2/c1-17(22)9-23-8-13-11(5-19-7-14(13)17)10-3-15(18)12-6-20-21(2)16(12)4-10/h3-7,22H,8-9H2,1-2H3
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Assay Description
The aldosterone synthase inhibition assay employs cynomolgus adrenal gland mitochondria as the source of aldosterone synthase (CYP11B2). Mitochondria...


Bioorg Med Chem Lett 18: 1274-9 (2008)


BindingDB Entry DOI: 10.7270/Q2K35WZ4
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM380965
PNG
(4-Methyl-8-(1-methyl-1H-indazol- 6-yl)-3,4-dihydro...)
Show SMILES Cn1ncc2ccc(cc12)-c1cncc2c1COCC2(C)O
Show InChI InChI=1S/C17H17N3O2/c1-17(21)10-22-9-14-13(7-18-8-15(14)17)11-3-4-12-6-19-20(2)16(12)5-11/h3-8,21H,9-10H2,1-2H3
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Assay Description
The aldosterone synthase inhibition assay employs cynomolgus adrenal gland mitochondria as the source of aldosterone synthase (CYP11B2). Mitochondria...


Bioorg Med Chem Lett 18: 1274-9 (2008)


BindingDB Entry DOI: 10.7270/Q2K35WZ4
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM380921
PNG
(6-(4-Hydroxy-3,4-dihydro-1H- pyrano[4,3-c]pyridin-...)
Show SMILES OC1COCc2c1cncc2-c1ccc2oc(=O)ccc2c1
Show InChI InChI=1S/C17H13NO4/c19-15-9-21-8-14-12(6-18-7-13(14)15)10-1-3-16-11(5-10)2-4-17(20)22-16/h1-7,15,19H,8-9H2
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Assay Description
The aldosterone synthase inhibition assay employs cynomolgus adrenal gland mitochondria as the source of aldosterone synthase (CYP11B2). Mitochondria...


Bioorg Med Chem Lett 18: 1274-9 (2008)


BindingDB Entry DOI: 10.7270/Q2K35WZ4
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM380982
PNG
(4-(4-Hydroxy-3,4-dihydro-1H- pyrano[4,3-c]pyridin-...)
Show SMILES OC1COCc2c1cncc2C1=CCC(CC1)C#N |t:13|
Show InChI InChI=1S/C15H16N2O2/c16-5-10-1-3-11(4-2-10)12-6-17-7-13-14(12)8-19-9-15(13)18/h3,6-7,10,15,18H,1-2,4,8-9H2
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Assay Description
The aldosterone synthase inhibition assay employs cynomolgus adrenal gland mitochondria as the source of aldosterone synthase (CYP11B2). Mitochondria...


Bioorg Med Chem Lett 18: 1274-9 (2008)


BindingDB Entry DOI: 10.7270/Q2K35WZ4
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM380909
PNG
(6-(4-Hydroxy-3,4-dihydro-1H- pyrano[4,3-c]pyridin-...)
Show SMILES Cn1nc(C#N)c2ccc(cc12)-c1cncc2C(O)COCc12
Show InChI InChI=1S/C17H14N4O2/c1-21-16-4-10(2-3-11(16)15(5-18)20-21)12-6-19-7-13-14(12)8-23-9-17(13)22/h2-4,6-7,17,22H,8-9H2,1H3
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Assay Description
The aldosterone synthase inhibition assay employs cynomolgus adrenal gland mitochondria as the source of aldosterone synthase (CYP11B2). Mitochondria...


Bioorg Med Chem Lett 18: 1274-9 (2008)


BindingDB Entry DOI: 10.7270/Q2K35WZ4
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM380973
PNG
(6-(4-Hydroxy-4-methyl-3,4-dihydro- 1H-pyrano[4,3-c...)
Show SMILES Cn1nc(C#N)c2ccc(cc12)-c1cncc2c1COCC2(C)O
Show InChI InChI=1S/C18H16N4O2/c1-18(23)10-24-9-14-13(7-20-8-15(14)18)11-3-4-12-16(6-19)21-22(2)17(12)5-11/h3-5,7-8,23H,9-10H2,1-2H3
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Assay Description
The aldosterone synthase inhibition assay employs cynomolgus adrenal gland mitochondria as the source of aldosterone synthase (CYP11B2). Mitochondria...


Bioorg Med Chem Lett 18: 1274-9 (2008)


BindingDB Entry DOI: 10.7270/Q2K35WZ4
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM380810
PNG
(8-(3-Methyl-3H-benzotriazol-5-yl)- 3,4-dihydro-1H-...)
Show SMILES Cn1nnc2ccc(cc12)-c1cncc2C(O)COCc12
Show InChI InChI=1S/C15H14N4O2/c1-19-14-4-9(2-3-13(14)17-18-19)10-5-16-6-11-12(10)7-21-8-15(11)20/h2-6,15,20H,7-8H2,1H3
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Assay Description
The aldosterone synthase inhibition assay employs cynomolgus adrenal gland mitochondria as the source of aldosterone synthase (CYP11B2). Mitochondria...


Bioorg Med Chem Lett 18: 1274-9 (2008)


BindingDB Entry DOI: 10.7270/Q2K35WZ4
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM380864
PNG
(Ethanesulfonic acid [8-(3-fluoro-1- methyl-1H-inda...)
Show SMILES CCS(=O)(=O)NC1COCc2c1cncc2-c1ccc2c(F)nn(C)c2c1
Show InChI InChI=1S/C18H19FN4O3S/c1-3-27(24,25)22-16-10-26-9-15-13(7-20-8-14(15)16)11-4-5-12-17(6-11)23(2)21-18(12)19/h4-8,16,22H,3,9-10H2,1-2H3
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Assay Description
The aldosterone synthase inhibition assay employs cynomolgus adrenal gland mitochondria as the source of aldosterone synthase (CYP11B2). Mitochondria...


Bioorg Med Chem Lett 18: 1274-9 (2008)


BindingDB Entry DOI: 10.7270/Q2K35WZ4
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM380918
PNG
(7-(4-Hydroxy-3,4-dihydro-1H- pyrano[4,3-c]pyridin-...)
Show SMILES OC1COCc2c1cncc2-c1ccc2C(=O)CCOc2c1
Show InChI InChI=1S/C17H15NO4/c19-15-3-4-22-17-5-10(1-2-11(15)17)12-6-18-7-13-14(12)8-21-9-16(13)20/h1-2,5-7,16,20H,3-4,8-9H2
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Assay Description
The aldosterone synthase inhibition assay employs cynomolgus adrenal gland mitochondria as the source of aldosterone synthase (CYP11B2). Mitochondria...


Bioorg Med Chem Lett 18: 1274-9 (2008)


BindingDB Entry DOI: 10.7270/Q2K35WZ4
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM380817
PNG
(8-(1H-Indol-6-yl)-3,4-dihydro-1H- pyrano[4,3-c]pyr...)
Show SMILES OC1COCc2c1cncc2-c1ccc2cc[nH]c2c1
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Assay Description
The aldosterone synthase inhibition assay employs cynomolgus adrenal gland mitochondria as the source of aldosterone synthase (CYP11B2). Mitochondria...


Bioorg Med Chem Lett 18: 1274-9 (2008)


BindingDB Entry DOI: 10.7270/Q2K35WZ4
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM380945
PNG
(8-(4-Fluoro-1-methyl-1H-indazol-6- yl)-3,4-dihydro...)
Show SMILES Cn1ncc2c(F)cc(cc12)-c1cncc2C(N)COCc12
Show InChI InChI=1S/C16H15FN4O/c1-21-16-3-9(2-14(17)12(16)6-20-21)10-4-19-5-11-13(10)7-22-8-15(11)18/h2-6,15H,7-8,18H2,1H3
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Assay Description
The aldosterone synthase inhibition assay employs cynomolgus adrenal gland mitochondria as the source of aldosterone synthase (CYP11B2). Mitochondria...


Bioorg Med Chem Lett 18: 1274-9 (2008)


BindingDB Entry DOI: 10.7270/Q2K35WZ4
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM380946
PNG
(N-[8-(4-Fluoro-1-methyl-1H-indazol- 6-yl)-3,4-dihy...)
Show SMILES CCC(=O)NC1COCc2c1cncc2-c1cc(F)c2cnn(C)c2c1
Show InChI InChI=1S/C19H19FN4O2/c1-3-19(25)23-17-10-26-9-15-12(6-21-7-13(15)17)11-4-16(20)14-8-22-24(2)18(14)5-11/h4-8,17H,3,9-10H2,1-2H3,(H,23,25)
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Assay Description
The aldosterone synthase inhibition assay employs cynomolgus adrenal gland mitochondria as the source of aldosterone synthase (CYP11B2). Mitochondria...


Bioorg Med Chem Lett 18: 1274-9 (2008)


BindingDB Entry DOI: 10.7270/Q2K35WZ4
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM380827
PNG
(8-(1H-Indol-5-yl)-3,4-dihydro-1H- pyrano[4,3-c]pyr...)
Show SMILES OC1COCc2c1cncc2-c1ccc2[nH]ccc2c1
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Assay Description
The aldosterone synthase inhibition assay employs cynomolgus adrenal gland mitochondria as the source of aldosterone synthase (CYP11B2). Mitochondria...


Bioorg Med Chem Lett 18: 1274-9 (2008)


BindingDB Entry DOI: 10.7270/Q2K35WZ4
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM380819
PNG
(8-(1-Methyl-1H-indazol-5-yl)-3,4- dihydro-1H-pyran...)
Show SMILES Cn1ncc2cc(ccc12)-c1cncc2C(O)COCc12
Show InChI InChI=1S/C16H15N3O2/c1-19-15-3-2-10(4-11(15)5-18-19)12-6-17-7-13-14(12)8-21-9-16(13)20/h2-7,16,20H,8-9H2,1H3
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Assay Description
The aldosterone synthase inhibition assay employs cynomolgus adrenal gland mitochondria as the source of aldosterone synthase (CYP11B2). Mitochondria...


Bioorg Med Chem Lett 18: 1274-9 (2008)


BindingDB Entry DOI: 10.7270/Q2K35WZ4
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM380872
PNG
(N-[8-(1-Methyl-1H-indazol-6-yl)-3,4- dihydro-1H-py...)
Show SMILES CCC(=O)NC1COCc2c1cncc2-c1ccc2cnn(C)c2c1
Show InChI InChI=1S/C19H20N4O2/c1-3-19(24)22-17-11-25-10-16-14(8-20-9-15(16)17)12-4-5-13-7-21-23(2)18(13)6-12/h4-9,17H,3,10-11H2,1-2H3,(H,22,24)
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Assay Description
The aldosterone synthase inhibition assay employs cynomolgus adrenal gland mitochondria as the source of aldosterone synthase (CYP11B2). Mitochondria...


Bioorg Med Chem Lett 18: 1274-9 (2008)


BindingDB Entry DOI: 10.7270/Q2K35WZ4
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM380981
PNG
(Dimethyl-[8-(1-methyl-1H-indazol- 6-yl)-3,4-dihydr...)
Show SMILES CN(C)C1COCc2c1cncc2-c1ccc2cnn(C)c2c1
Show InChI InChI=1S/C18H20N4O/c1-21(2)18-11-23-10-16-14(8-19-9-15(16)18)12-4-5-13-7-20-22(3)17(13)6-12/h4-9,18H,10-11H2,1-3H3
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Assay Description
The aldosterone synthase inhibition assay employs cynomolgus adrenal gland mitochondria as the source of aldosterone synthase (CYP11B2). Mitochondria...


Bioorg Med Chem Lett 18: 1274-9 (2008)


BindingDB Entry DOI: 10.7270/Q2K35WZ4
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM380993
PNG
(8-(3-methylbenzotriazol-5- yl)spiro[1,4-dihydropyr...)
Show SMILES Cn1nnc2ccc(cc12)-c1cncc2C(O)C3(CC3)OCc12
Show InChI InChI=1S/C17H16N4O2/c1-21-15-6-10(2-3-14(15)19-20-21)11-7-18-8-12-13(11)9-23-17(4-5-17)16(12)22/h2-3,6-8,16,22H,4-5,9H2,1H3
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Assay Description
The aldosterone synthase inhibition assay employs cynomolgus adrenal gland mitochondria as the source of aldosterone synthase (CYP11B2). Mitochondria...


Bioorg Med Chem Lett 18: 1274-9 (2008)


BindingDB Entry DOI: 10.7270/Q2K35WZ4
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM380910
PNG
(8-(3-methyl-1,2-benzoxazol-5- yl)spiro[1,4-dihydro...)
Show SMILES Cc1noc2ccc(cc12)-c1cncc2C(O)C3(CC3)OCc12
Show InChI InChI=1S/C18H16N2O3/c1-10-12-6-11(2-3-16(12)23-20-10)13-7-19-8-14-15(13)9-22-18(4-5-18)17(14)21/h2-3,6-8,17,21H,4-5,9H2,1H3
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Assay Description
The aldosterone synthase inhibition assay employs cynomolgus adrenal gland mitochondria as the source of aldosterone synthase (CYP11B2). Mitochondria...


Bioorg Med Chem Lett 18: 1274-9 (2008)


BindingDB Entry DOI: 10.7270/Q2K35WZ4
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM380993
PNG
(8-(3-methylbenzotriazol-5- yl)spiro[1,4-dihydropyr...)
Show SMILES Cn1nnc2ccc(cc12)-c1cncc2C(O)C3(CC3)OCc12
Show InChI InChI=1S/C17H16N4O2/c1-21-15-6-10(2-3-14(15)19-20-21)11-7-18-8-12-13(11)9-23-17(4-5-17)16(12)22/h2-3,6-8,16,22H,4-5,9H2,1H3
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Assay Description
The aldosterone synthase inhibition assay employs cynomolgus adrenal gland mitochondria as the source of aldosterone synthase (CYP11B2). Mitochondria...


Bioorg Med Chem Lett 18: 1274-9 (2008)


BindingDB Entry DOI: 10.7270/Q2K35WZ4
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM380967
PNG
(8-(3-Fluoro-1-methyl-1H-indazol-6- yl)-4-methyl-3,...)
Show SMILES Cn1nc(F)c2ccc(cc12)-c1cncc2c1COCC2(C)O
Show InChI InChI=1S/C17H16FN3O2/c1-17(22)9-23-8-13-12(6-19-7-14(13)17)10-3-4-11-15(5-10)21(2)20-16(11)18/h3-7,22H,8-9H2,1-2H3
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Assay Description
The aldosterone synthase inhibition assay employs cynomolgus adrenal gland mitochondria as the source of aldosterone synthase (CYP11B2). Mitochondria...


Bioorg Med Chem Lett 18: 1274-9 (2008)


BindingDB Entry DOI: 10.7270/Q2K35WZ4
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM380814
PNG
(8-(5-Fluoro-1-methyl-1H-indazol-6- yl)-3,4-dihydro...)
Show SMILES Cn1ncc2cc(F)c(cc12)-c1cncc2C(O)COCc12
Show InChI InChI=1S/C16H14FN3O2/c1-20-15-3-10(14(17)2-9(15)4-19-20)11-5-18-6-12-13(11)7-22-8-16(12)21/h2-6,16,21H,7-8H2,1H3
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Assay Description
The aldosterone synthase inhibition assay employs cynomolgus adrenal gland mitochondria as the source of aldosterone synthase (CYP11B2). Mitochondria...


Bioorg Med Chem Lett 18: 1274-9 (2008)


BindingDB Entry DOI: 10.7270/Q2K35WZ4
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM380806
PNG
(8-(3-Methyl-1H-indazol-5-yl)-3,4- dihydro-1H-pyran...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc2C(O)COCc12
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Assay Description
The aldosterone synthase inhibition assay employs cynomolgus adrenal gland mitochondria as the source of aldosterone synthase (CYP11B2). Mitochondria...


Bioorg Med Chem Lett 18: 1274-9 (2008)


BindingDB Entry DOI: 10.7270/Q2K35WZ4
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM380810
PNG
(8-(3-Methyl-3H-benzotriazol-5-yl)- 3,4-dihydro-1H-...)
Show SMILES Cn1nnc2ccc(cc12)-c1cncc2C(O)COCc12
Show InChI InChI=1S/C15H14N4O2/c1-19-14-4-9(2-3-13(14)17-18-19)10-5-16-6-11-12(10)7-21-8-15(11)20/h2-6,15,20H,7-8H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/a 21n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The aldosterone synthase inhibition assay employs cynomolgus adrenal gland mitochondria as the source of aldosterone synthase (CYP11B2). Mitochondria...


Bioorg Med Chem Lett 18: 1274-9 (2008)


BindingDB Entry DOI: 10.7270/Q2K35WZ4
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM380971
PNG
(8-(4-Fluoro-1-methyl-1H-indazol-6- yl)-4-methyl-3,...)
Show SMILES Cn1ncc2c(F)cc(cc12)-c1cncc2c1COCC2(C)O
Show InChI InChI=1S/C17H16FN3O2/c1-17(22)9-23-8-13-11(5-19-7-14(13)17)10-3-15(18)12-6-20-21(2)16(12)4-10/h3-7,22H,8-9H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
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Merck Research Laboratories



Assay Description
The aldosterone synthase inhibition assay employs cynomolgus adrenal gland mitochondria as the source of aldosterone synthase (CYP11B2). Mitochondria...


Bioorg Med Chem Lett 18: 1274-9 (2008)


BindingDB Entry DOI: 10.7270/Q2K35WZ4
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM380824
PNG
(8-(3,4-Dihydro-2H- benzo[b][1,4]dioxepin-7-yl)-3,4...)
Show SMILES OC1COCc2c1cncc2-c1ccc2OCCCOc2c1
Show InChI InChI=1S/C17H17NO4/c19-15-10-20-9-14-12(7-18-8-13(14)15)11-2-3-16-17(6-11)22-5-1-4-21-16/h2-3,6-8,15,19H,1,4-5,9-10H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
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UniChem
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n/an/a 22n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The aldosterone synthase inhibition assay employs cynomolgus adrenal gland mitochondria as the source of aldosterone synthase (CYP11B2). Mitochondria...


Bioorg Med Chem Lett 18: 1274-9 (2008)


BindingDB Entry DOI: 10.7270/Q2K35WZ4
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM380995
PNG
(8-(4,4-Difluoro-isochroman-7-yl)- 3,4-dihydro-1H-p...)
Show SMILES OC1COCc2c1cncc2-c1ccc2c(COCC2(F)F)c1
Show InChI InChI=1S/C17H15F2NO3/c18-17(19)9-23-6-11-3-10(1-2-15(11)17)12-4-20-5-13-14(12)7-22-8-16(13)21/h1-5,16,21H,6-9H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 22n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The aldosterone synthase inhibition assay employs cynomolgus adrenal gland mitochondria as the source of aldosterone synthase (CYP11B2). Mitochondria...


Bioorg Med Chem Lett 18: 1274-9 (2008)


BindingDB Entry DOI: 10.7270/Q2K35WZ4
More data for this
Ligand-Target Pair
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