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Patent code US9890171

Compile Data Set for Download or QSAR

Found 200 hits of Enzyme Inhibition Constant Data   
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


(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
PDB

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US Patent
n/an/a 5.70n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


US Patent US9890171 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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
PDB

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US Patent
n/an/a 5.80n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


US Patent US9890171 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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
PDB

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US Patent
n/an/a 6.10n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


US Patent US9890171 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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
Show InChI InChI=1/C15H12ClN3O2/c16-15-9-2-1-8(3-13(9)18-19-15)10-4-17-5-11-12(10)6-21-7-14(11)20/h1-5,14,20H,6-7H2,(H,18,19)
PDB

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US Patent
n/an/a 6.70n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


US Patent US9890171 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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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US Patent
n/an/a 7.60n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


US Patent US9890171 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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
PDB

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US Patent
n/an/a 7.80n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


US Patent US9890171 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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
PDB

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US Patent
n/an/a 7.80n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


US Patent US9890171 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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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US Patent
n/an/a 8n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


US Patent US9890171 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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
PDB

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US Patent
n/an/a 8.10n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


US Patent US9890171 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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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n/an/a 8.5n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


US Patent US9890171 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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
PDB

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US Patent
n/an/a 8.5n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


US Patent US9890171 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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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US Patent
n/an/a 9.70n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


US Patent US9890171 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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
PDB

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US Patent
n/an/a 9.80n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


US Patent US9890171 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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
PDB

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n/an/a 10n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


US Patent US9890171 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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
PDB

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n/an/a 10.1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


US Patent US9890171 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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
PDB

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n/an/a 10.2n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


US Patent US9890171 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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
Show InChI InChI=1/C18H17ClN4O2/c1-2-17(24)21-16-9-25-8-14-12(6-20-7-13(14)16)10-3-4-11-15(5-10)22-23-18(11)19/h3-7,16H,2,8-9H2,1H3,(H,21,24)(H,22,23)
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n/an/a 11.2n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


US Patent US9890171 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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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n/an/a 11.5n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


US Patent US9890171 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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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n/an/a 12n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


US Patent US9890171 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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
PDB

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n/an/a 12.5n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


US Patent US9890171 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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
PDB

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n/an/a 12.5n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


US Patent US9890171 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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
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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n/an/a 12.9n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


US Patent US9890171 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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
PDB

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n/an/a 13n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


US Patent US9890171 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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
PDB

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US Patent
n/an/a 13n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


US Patent US9890171 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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

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n/an/a 13.4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


US Patent US9890171 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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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n/an/a 13.9n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


US Patent US9890171 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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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n/an/a 14n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


US Patent US9890171 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (Human))
BDBM380982
PNG
(4-(4-Hydroxy-3,4-dihydro-1H- pyrano[4,3-c]pyridin-...)
Show SMILES OC1COCc2c1cncc2C1=CCC(CC1)C#N
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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n/an/a 14n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


US Patent US9890171 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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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n/an/a 14.5n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


US Patent US9890171 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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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n/an/a 15n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


US Patent US9890171 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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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n/an/a 15.7n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


US Patent US9890171 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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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n/an/a 15.9n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


US Patent US9890171 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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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n/an/a 16.3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


US Patent US9890171 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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
Show InChI InChI=1/C16H14N2O2/c19-16-9-20-8-14-12(6-17-7-13(14)16)11-2-1-10-3-4-18-15(10)5-11/h1-7,16,18-19H,8-9H2
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n/an/a 17.3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


US Patent US9890171 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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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n/an/a 17.3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


US Patent US9890171 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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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n/an/a 17.4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


US Patent US9890171 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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
Show InChI InChI=1/C16H14N2O2/c19-16-9-20-8-14-12(6-17-7-13(14)16)10-1-2-15-11(5-10)3-4-18-15/h1-7,16,18-19H,8-9H2
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n/an/a 17.4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


US Patent US9890171 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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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n/an/a 17.5n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


US Patent US9890171 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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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n/an/a 17.9n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


US Patent US9890171 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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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n/an/a 18n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


US Patent US9890171 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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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n/an/a 18n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


US Patent US9890171 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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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n/an/a 18.8n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


US Patent US9890171 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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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n/an/a 19n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


US Patent US9890171 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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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n/an/a 19.1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


US Patent US9890171 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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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n/an/a 20.1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


US Patent US9890171 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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
Show InChI InChI=1/C16H15N3O2/c1-9-11-4-10(2-3-15(11)19-18-9)12-5-17-6-13-14(12)7-21-8-16(13)20/h2-6,16,20H,7-8H2,1H3,(H,18,19)
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n/an/a 21n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


US Patent US9890171 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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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n/an/a 21n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


US Patent US9890171 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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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n/an/a 21.6n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


US Patent US9890171 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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
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n/an/a 22n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


US Patent US9890171 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(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
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n/an/a 22n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


US Patent US9890171 (2018)

More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%