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Compile Data Set for Download or QSAR

Found 300 hits of ph data with Target = 'Aldosterone Synthase (CYP11B2)'   
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
Aldosterone Synthase (CYP11B2)


(Cercopithecus sabaeus)
BDBM191231
PNG
(US9181272, 1)
Show SMILES NC(=O)N1CCc2cc(cnc12)-c1cccnc1
Show InChI InChI=1S/C13H12N4O/c14-13(18)17-5-3-9-6-11(8-16-12(9)17)10-2-1-4-15-7-10/h1-2,4,6-8H,3,5H2,(H2,14,18)
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US Patent
n/an/a 28n/an/an/an/a7.4n/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). Mitochondr...


US Patent US9181272 (2015)


BindingDB Entry DOI: 10.7270/Q2VX0F93
More data for this
Ligand-Target Pair
Aldosterone Synthase (CYP11B2)


(Cercopithecus sabaeus)
BDBM191232
PNG
(US9181272, 2)
Show SMILES NC(=O)N1CCCc2cc(cnc12)-c1cccnc1
Show InChI InChI=1S/C14H14N4O/c15-14(19)18-6-2-4-10-7-12(9-17-13(10)18)11-3-1-5-16-8-11/h1,3,5,7-9H,2,4,6H2,(H2,15,19)
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n/an/a 15.5n/an/an/an/a7.4n/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). Mitochondr...


US Patent US9181272 (2015)


BindingDB Entry DOI: 10.7270/Q2VX0F93
More data for this
Ligand-Target Pair
Aldosterone Synthase (CYP11B2)


(Cercopithecus sabaeus)
BDBM191233
PNG
(US9181272, 3 | US9181272, 7)
Show SMILES CC(=O)N1CCCc2cc(cnc12)-c1cccnc1
Show InChI InChI=1S/C15H15N3O/c1-11(19)18-7-3-5-12-8-14(10-17-15(12)18)13-4-2-6-16-9-13/h2,4,6,8-10H,3,5,7H2,1H3
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n/an/a 21n/an/an/an/a7.4n/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). Mitochondr...


US Patent US9181272 (2015)


BindingDB Entry DOI: 10.7270/Q2VX0F93
More data for this
Ligand-Target Pair
Aldosterone Synthase (CYP11B2)


(Cercopithecus sabaeus)
BDBM191234
PNG
(US9181272, 4)
Show SMILES CC(=O)N1CCc2cc(cnc12)-c1cccnc1
Show InChI InChI=1S/C14H13N3O/c1-10(18)17-6-4-11-7-13(9-16-14(11)17)12-3-2-5-15-8-12/h2-3,5,7-9H,4,6H2,1H3
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n/an/a 120n/an/an/an/a7.4n/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). Mitochondr...


US Patent US9181272 (2015)


BindingDB Entry DOI: 10.7270/Q2VX0F93
More data for this
Ligand-Target Pair
Aldosterone Synthase (CYP11B2)


(Cercopithecus sabaeus)
BDBM191235
PNG
(US9181272, 5)
Show SMILES Cc1ccncc1-c1cnc2N(CCCc2c1)C(N)=O
Show InChI InChI=1S/C15H16N4O/c1-10-4-5-17-9-13(10)12-7-11-3-2-6-19(15(16)20)14(11)18-8-12/h4-5,7-9H,2-3,6H2,1H3,(H2,16,20)
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n/an/a 2n/an/an/an/a7.4n/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). Mitochondr...


US Patent US9181272 (2015)


BindingDB Entry DOI: 10.7270/Q2VX0F93
More data for this
Ligand-Target Pair
Aldosterone Synthase (CYP11B2)


(Cercopithecus sabaeus)
BDBM191236
PNG
(US9181272, 6)
Show SMILES NC(=O)N1CCCc2cc(cnc12)-c1cncc(Cl)c1
Show InChI InChI=1S/C14H13ClN4O/c15-12-5-11(6-17-8-12)10-4-9-2-1-3-19(14(16)20)13(9)18-7-10/h4-8H,1-3H2,(H2,16,20)
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n/an/a 6.30n/an/an/an/a7.4n/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). Mitochondr...


US Patent US9181272 (2015)


BindingDB Entry DOI: 10.7270/Q2VX0F93
More data for this
Ligand-Target Pair
Aldosterone Synthase (CYP11B2)


(Cercopithecus sabaeus)
BDBM191233
PNG
(US9181272, 3 | US9181272, 7)
Show SMILES CC(=O)N1CCCc2cc(cnc12)-c1cccnc1
Show InChI InChI=1S/C15H15N3O/c1-11(19)18-7-3-5-12-8-14(10-17-15(12)18)13-4-2-6-16-9-13/h2,4,6,8-10H,3,5,7H2,1H3
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n/an/a 16n/an/an/an/a7.4n/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). Mitochondr...


US Patent US9181272 (2015)


BindingDB Entry DOI: 10.7270/Q2VX0F93
More data for this
Ligand-Target Pair
Aldosterone Synthase (CYP11B2)


(Cercopithecus sabaeus)
BDBM191238
PNG
(US9181272, 8)
Show SMILES NC(=O)N1CCOc2cc(cnc12)-c1cccnc1
Show InChI InChI=1S/C13H12N4O2/c14-13(18)17-4-5-19-11-6-10(8-16-12(11)17)9-2-1-3-15-7-9/h1-3,6-8H,4-5H2,(H2,14,18)
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n/an/a 9.10n/an/an/an/a7.4n/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). Mitochondr...


US Patent US9181272 (2015)


BindingDB Entry DOI: 10.7270/Q2VX0F93
More data for this
Ligand-Target Pair
Aldosterone Synthase (CYP11B2)


(Cercopithecus sabaeus)
BDBM191239
PNG
(US9181272, 9)
Show SMILES COc1cncc(c1)-c1cnc2N(CCCc2c1)C(N)=O
Show InChI InChI=1S/C15H16N4O2/c1-21-13-6-12(7-17-9-13)11-5-10-3-2-4-19(15(16)20)14(10)18-8-11/h5-9H,2-4H2,1H3,(H2,16,20)
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n/an/a 3.60n/an/an/an/a7.4n/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). Mitochondr...


US Patent US9181272 (2015)


BindingDB Entry DOI: 10.7270/Q2VX0F93
More data for this
Ligand-Target Pair
Aldosterone Synthase (CYP11B2)


(Cercopithecus sabaeus)
BDBM191240
PNG
(US9181272, 10 | US9181272, 17)
Show SMILES NC(=O)N1CCCc2cc(cnc12)-c1cncc(F)c1
Show InChI InChI=1S/C14H13FN4O/c15-12-5-11(6-17-8-12)10-4-9-2-1-3-19(14(16)20)13(9)18-7-10/h4-8H,1-3H2,(H2,16,20)
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n/an/a 11.5n/an/an/an/a7.4n/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). Mitochondr...


US Patent US9181272 (2015)


BindingDB Entry DOI: 10.7270/Q2VX0F93
More data for this
Ligand-Target Pair
Aldosterone Synthase (CYP11B2)


(Cercopithecus sabaeus)
BDBM191241
PNG
(US9181272, 11)
Show SMILES NC(=O)N1CCCc2cc(cnc12)-c1cncc(CC#N)c1
Show InChI InChI=1S/C16H15N5O/c17-4-3-11-6-13(9-19-8-11)14-7-12-2-1-5-21(16(18)22)15(12)20-10-14/h6-10H,1-3,5H2,(H2,18,22)
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n/an/a 7.30n/an/an/an/a7.4n/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). Mitochondr...


US Patent US9181272 (2015)


BindingDB Entry DOI: 10.7270/Q2VX0F93
More data for this
Ligand-Target Pair
Aldosterone Synthase (CYP11B2)


(Cercopithecus sabaeus)
BDBM191242
PNG
(US9181272, 12)
Show SMILES CS(=O)(=O)c1cncc(c1)-c1cnc2N(CCCc2c1)C(N)=O
Show InChI InChI=1S/C15H16N4O3S/c1-23(21,22)13-6-12(7-17-9-13)11-5-10-3-2-4-19(15(16)20)14(10)18-8-11/h5-9H,2-4H2,1H3,(H2,16,20)
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n/an/a 140n/an/an/an/a7.4n/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). Mitochondr...


US Patent US9181272 (2015)


BindingDB Entry DOI: 10.7270/Q2VX0F93
More data for this
Ligand-Target Pair
Aldosterone Synthase (CYP11B2)


(Cercopithecus sabaeus)
BDBM191243
PNG
(US9181272, 13)
Show SMILES NC(=O)N1CCCc2cc(cnc12)-c1cncnc1
Show InChI InChI=1S/C13H13N5O/c14-13(19)18-3-1-2-9-4-10(7-17-12(9)18)11-5-15-8-16-6-11/h4-8H,1-3H2,(H2,14,19)
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n/an/a 130n/an/an/an/a7.4n/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). Mitochondr...


US Patent US9181272 (2015)


BindingDB Entry DOI: 10.7270/Q2VX0F93
More data for this
Ligand-Target Pair
Aldosterone Synthase (CYP11B2)


(Cercopithecus sabaeus)
BDBM191244
PNG
(US9181272, 14)
Show SMILES NC(=O)N1CCCc2cc(cnc12)-c1cncc(c1)-c1ccccc1
Show InChI InChI=1S/C20H18N4O/c21-20(25)24-8-4-7-15-9-18(13-23-19(15)24)17-10-16(11-22-12-17)14-5-2-1-3-6-14/h1-3,5-6,9-13H,4,7-8H2,(H2,21,25)
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n/an/a 5.30n/an/an/an/a7.4n/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). Mitochondr...


US Patent US9181272 (2015)


BindingDB Entry DOI: 10.7270/Q2VX0F93
More data for this
Ligand-Target Pair
Aldosterone Synthase (CYP11B2)


(Cercopithecus sabaeus)
BDBM191245
PNG
(US9181272, 15)
Show SMILES NC(=O)N1CCCc2cc(cnc12)-c1cncc(c1)C(F)(F)F
Show InChI InChI=1S/C15H13F3N4O/c16-15(17,18)12-5-11(6-20-8-12)10-4-9-2-1-3-22(14(19)23)13(9)21-7-10/h4-8H,1-3H2,(H2,19,23)
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n/an/a 12n/an/an/an/a7.4n/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). Mitochondr...


US Patent US9181272 (2015)


BindingDB Entry DOI: 10.7270/Q2VX0F93
More data for this
Ligand-Target Pair
Aldosterone Synthase (CYP11B2)


(Cercopithecus sabaeus)
BDBM191246
PNG
(US9181272, 16)
Show SMILES COCc1cncc(c1)-c1cnc2N(CCCc2c1)C(N)=O
Show InChI InChI=1S/C16H18N4O2/c1-22-10-11-5-13(8-18-7-11)14-6-12-3-2-4-20(16(17)21)15(12)19-9-14/h5-9H,2-4,10H2,1H3,(H2,17,21)
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n/an/a 7.10n/an/an/an/a7.4n/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). Mitochondr...


US Patent US9181272 (2015)


BindingDB Entry DOI: 10.7270/Q2VX0F93
More data for this
Ligand-Target Pair
Aldosterone Synthase (CYP11B2)


(Cercopithecus sabaeus)
BDBM191240
PNG
(US9181272, 10 | US9181272, 17)
Show SMILES NC(=O)N1CCCc2cc(cnc12)-c1cncc(F)c1
Show InChI InChI=1S/C14H13FN4O/c15-12-5-11(6-17-8-12)10-4-9-2-1-3-19(14(16)20)13(9)18-7-10/h4-8H,1-3H2,(H2,16,20)
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n/an/a 10n/an/an/an/a7.4n/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). Mitochondr...


US Patent US9181272 (2015)


BindingDB Entry DOI: 10.7270/Q2VX0F93
More data for this
Ligand-Target Pair
Aldosterone Synthase (CYP11B2)


(Cercopithecus sabaeus)
BDBM191248
PNG
(US9181272, 18)
Show SMILES CC(=O)c1cncc(c1)-c1cnc2N(CCCc2c1)C(N)=O
Show InChI InChI=1S/C16H16N4O2/c1-10(21)12-6-13(8-18-7-12)14-5-11-3-2-4-20(16(17)22)15(11)19-9-14/h5-9H,2-4H2,1H3,(H2,17,22)
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n/an/a 11n/an/an/an/a7.4n/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). Mitochondr...


US Patent US9181272 (2015)


BindingDB Entry DOI: 10.7270/Q2VX0F93
More data for this
Ligand-Target Pair
Aldosterone Synthase (CYP11B2)


(Cercopithecus sabaeus)
BDBM191249
PNG
(US9181272, 157 | US9181272, 158 | US9181272, 19)
Show SMILES CC(O)c1cncc(c1)-c1cnc2N(CCCc2c1)C(N)=O
Show InChI InChI=1S/C16H18N4O2/c1-10(21)12-6-13(8-18-7-12)14-5-11-3-2-4-20(16(17)22)15(11)19-9-14/h5-10,21H,2-4H2,1H3,(H2,17,22)
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n/an/a 10n/an/an/an/a7.4n/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). Mitochondr...


US Patent US9181272 (2015)


BindingDB Entry DOI: 10.7270/Q2VX0F93
More data for this
Ligand-Target Pair
Aldosterone Synthase (CYP11B2)


(Cercopithecus sabaeus)
BDBM191250
PNG
(US9181272, 20)
Show SMILES Cc1cncc(c1)-c1cnc2N(CCCc2c1)C(N)=O
Show InChI InChI=1S/C15H16N4O/c1-10-5-12(8-17-7-10)13-6-11-3-2-4-19(15(16)20)14(11)18-9-13/h5-9H,2-4H2,1H3,(H2,16,20)
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n/an/a 2n/an/an/an/a7.4n/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). Mitochondr...


US Patent US9181272 (2015)


BindingDB Entry DOI: 10.7270/Q2VX0F93
More data for this
Ligand-Target Pair
Aldosterone Synthase (CYP11B2)


(Cercopithecus sabaeus)
BDBM191251
PNG
(US9181272, 21)
Show SMILES NC(=O)N1CCCc2cc(cnc12)-c1cncc(c1)C(O)=O
Show InChI InChI=1S/C15H14N4O3/c16-15(22)19-3-1-2-9-4-11(8-18-13(9)19)10-5-12(14(20)21)7-17-6-10/h4-8H,1-3H2,(H2,16,22)(H,20,21)
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n/an/a>1.00E+3n/an/an/an/a7.4n/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). Mitochondr...


US Patent US9181272 (2015)


BindingDB Entry DOI: 10.7270/Q2VX0F93
More data for this
Ligand-Target Pair
Aldosterone Synthase (CYP11B2)


(Cercopithecus sabaeus)
BDBM191252
PNG
(US9181272, 22)
Show SMILES NC(=O)N1CCCc2cc(cnc12)-c1cnccc1C#N
Show InChI InChI=1S/C15H13N5O/c16-7-11-3-4-18-9-13(11)12-6-10-2-1-5-20(15(17)21)14(10)19-8-12/h3-4,6,8-9H,1-2,5H2,(H2,17,21)
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n/an/a 7.30n/an/an/an/a7.4n/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). Mitochondr...


US Patent US9181272 (2015)


BindingDB Entry DOI: 10.7270/Q2VX0F93
More data for this
Ligand-Target Pair
Aldosterone Synthase (CYP11B2)


(Cercopithecus sabaeus)
BDBM191253
PNG
(US9181272, 23)
Show SMILES COC(=O)c1cncc(c1)-c1cnc2N(CCCc2c1)C(N)=O
Show InChI InChI=1S/C16H16N4O3/c1-23-15(21)13-6-11(7-18-8-13)12-5-10-3-2-4-20(16(17)22)14(10)19-9-12/h5-9H,2-4H2,1H3,(H2,17,22)
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n/an/a 5n/an/an/an/a7.4n/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). Mitochondr...


US Patent US9181272 (2015)


BindingDB Entry DOI: 10.7270/Q2VX0F93
More data for this
Ligand-Target Pair
Aldosterone Synthase (CYP11B2)


(Cercopithecus sabaeus)
BDBM191254
PNG
(US9181272, 24)
Show SMILES Cn1c(cc2ccccc12)-c1cncc(c1)-c1cnc2N(CCCc2c1)C(N)=O
Show InChI InChI=1S/C23H21N5O/c1-27-20-7-3-2-5-15(20)11-21(27)19-10-17(12-25-13-19)18-9-16-6-4-8-28(23(24)29)22(16)26-14-18/h2-3,5,7,9-14H,4,6,8H2,1H3,(H2,24,29)
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n/an/a 31n/an/an/an/a7.4n/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). Mitochondr...


US Patent US9181272 (2015)


BindingDB Entry DOI: 10.7270/Q2VX0F93
More data for this
Ligand-Target Pair
Aldosterone Synthase (CYP11B2)


(Cercopithecus sabaeus)
BDBM191255
PNG
(US9181272, 25)
Show SMILES NC(=O)N1CCCc2cc(cnc12)-c1cnccc1F
Show InChI InChI=1S/C14H13FN4O/c15-12-3-4-17-8-11(12)10-6-9-2-1-5-19(14(16)20)13(9)18-7-10/h3-4,6-8H,1-2,5H2,(H2,16,20)
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n/an/a 3.10n/an/an/an/a7.4n/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). Mitochondr...


US Patent US9181272 (2015)


BindingDB Entry DOI: 10.7270/Q2VX0F93
More data for this
Ligand-Target Pair
Aldosterone Synthase (CYP11B2)


(Cercopithecus sabaeus)
BDBM191256
PNG
(US9181272, 26)
Show SMILES NC(=O)N1CCCc2cc(cnc12)-c1cncc(c1)C#N
Show InChI InChI=1S/C15H13N5O/c16-6-10-4-12(8-18-7-10)13-5-11-2-1-3-20(15(17)21)14(11)19-9-13/h4-5,7-9H,1-3H2,(H2,17,21)
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n/an/a 165n/an/an/an/a7.4n/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). Mitochondr...


US Patent US9181272 (2015)


BindingDB Entry DOI: 10.7270/Q2VX0F93
More data for this
Ligand-Target Pair
Aldosterone Synthase (CYP11B2)


(Cercopithecus sabaeus)
BDBM191257
PNG
(US9181272, 27)
Show SMILES NC(=O)N1CCOc2cc(cnc12)-c1cncc(F)c1
Show InChI InChI=1S/C13H11FN4O2/c14-10-3-8(5-16-7-10)9-4-11-12(17-6-9)18(13(15)19)1-2-20-11/h3-7H,1-2H2,(H2,15,19)
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n/an/a 18n/an/an/an/a7.4n/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). Mitochondr...


US Patent US9181272 (2015)


BindingDB Entry DOI: 10.7270/Q2VX0F93
More data for this
Ligand-Target Pair
Aldosterone Synthase (CYP11B2)


(Cercopithecus sabaeus)
BDBM191258
PNG
(US9181272, 28)
Show SMILES CC(=O)N1CCOc2cc(cnc12)-c1cncc(F)c1
Show InChI InChI=1S/C14H12FN3O2/c1-9(19)18-2-3-20-13-5-11(7-17-14(13)18)10-4-12(15)8-16-6-10/h4-8H,2-3H2,1H3
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n/an/a 37n/an/an/an/a7.4n/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). Mitochondr...


US Patent US9181272 (2015)


BindingDB Entry DOI: 10.7270/Q2VX0F93
More data for this
Ligand-Target Pair
Aldosterone Synthase (CYP11B2)


(Cercopithecus sabaeus)
BDBM191259
PNG
(US9181272, 29)
Show SMILES NC(=O)N1CCCc2cc(cnc12)-c1cnccc1Cl
Show InChI InChI=1S/C14H13ClN4O/c15-12-3-4-17-8-11(12)10-6-9-2-1-5-19(14(16)20)13(9)18-7-10/h3-4,6-8H,1-2,5H2,(H2,16,20)
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n/an/a 5.10n/an/an/an/a7.4n/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). Mitochondr...


US Patent US9181272 (2015)


BindingDB Entry DOI: 10.7270/Q2VX0F93
More data for this
Ligand-Target Pair
Aldosterone Synthase (CYP11B2)


(Cercopithecus sabaeus)
BDBM191260
PNG
(US9181272, 30)
Show SMILES NC(=O)N1CCCc2cc(cnc12)-c1cnccn1
Show InChI InChI=1S/C13H13N5O/c14-13(19)18-5-1-2-9-6-10(7-17-12(9)18)11-8-15-3-4-16-11/h3-4,6-8H,1-2,5H2,(H2,14,19)
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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). Mitochondr...


US Patent US9181272 (2015)


BindingDB Entry DOI: 10.7270/Q2VX0F93
More data for this
Ligand-Target Pair
Aldosterone Synthase (CYP11B2)


(Cercopithecus sabaeus)
BDBM191261
PNG
(US9181272, 31)
Show SMILES NC(=O)N1CCCc2cc(cnc12)-c1cncc(c1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H17FN4O/c21-18-5-3-13(4-6-18)15-9-16(11-23-10-15)17-8-14-2-1-7-25(20(22)26)19(14)24-12-17/h3-6,8-12H,1-2,7H2,(H2,22,26)
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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). Mitochondr...


US Patent US9181272 (2015)


BindingDB Entry DOI: 10.7270/Q2VX0F93
More data for this
Ligand-Target Pair
Aldosterone Synthase (CYP11B2)


(Cercopithecus sabaeus)
BDBM191262
PNG
(US9181272, 32)
Show SMILES Cn1cc(cn1)-c1cncc(c1)-c1cnc2N(CCCc2c1)C(N)=O
Show InChI InChI=1S/C18H18N6O/c1-23-11-16(10-22-23)14-6-13(7-20-8-14)15-5-12-3-2-4-24(18(19)25)17(12)21-9-15/h5-11H,2-4H2,1H3,(H2,19,25)
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n/an/a 13n/an/an/an/a7.4n/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). Mitochondr...


US Patent US9181272 (2015)


BindingDB Entry DOI: 10.7270/Q2VX0F93
More data for this
Ligand-Target Pair
Aldosterone Synthase (CYP11B2)


(Cercopithecus sabaeus)
BDBM191263
PNG
(US9181272, 33)
Show SMILES C[C@@H](O)c1c(F)cncc1-c1cnc2N(CCCc2c1)C(N)=O
Show InChI InChI=1S/C16H17FN4O2/c1-9(22)14-12(7-19-8-13(14)17)11-5-10-3-2-4-21(16(18)23)15(10)20-6-11/h5-9,22H,2-4H2,1H3,(H2,18,23)/t9-/m1/s1
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n/an/a 22.8n/an/an/an/a7.4n/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). Mitochondr...


US Patent US9181272 (2015)


BindingDB Entry DOI: 10.7270/Q2VX0F93
More data for this
Ligand-Target Pair
Aldosterone Synthase (CYP11B2)


(Cercopithecus sabaeus)
BDBM191264
PNG
(US9181272, 34)
Show SMILES C[C@H](O)c1c(F)cncc1-c1cnc2N(CCCc2c1)C(N)=O
Show InChI InChI=1S/C16H17FN4O2/c1-9(22)14-12(7-19-8-13(14)17)11-5-10-3-2-4-21(16(18)23)15(10)20-6-11/h5-9,22H,2-4H2,1H3,(H2,18,23)/t9-/m0/s1
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n/an/a 47.6n/an/an/an/a7.4n/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). Mitochondr...


US Patent US9181272 (2015)


BindingDB Entry DOI: 10.7270/Q2VX0F93
More data for this
Ligand-Target Pair
Aldosterone Synthase (CYP11B2)


(Cercopithecus sabaeus)
BDBM191265
PNG
(US9181272, 35)
Show SMILES NC(=O)N1CCCc2cc(cnc12)-c1cnccc1-c1ccc(F)cc1
Show InChI InChI=1S/C20H17FN4O/c21-16-5-3-13(4-6-16)17-7-8-23-12-18(17)15-10-14-2-1-9-25(20(22)26)19(14)24-11-15/h3-8,10-12H,1-2,9H2,(H2,22,26)
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n/an/a 90n/an/an/an/a7.4n/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). Mitochondr...


US Patent US9181272 (2015)


BindingDB Entry DOI: 10.7270/Q2VX0F93
More data for this
Ligand-Target Pair
Aldosterone Synthase (CYP11B2)


(Cercopithecus sabaeus)
BDBM191266
PNG
(US9181272, 36)
Show SMILES Cn1cc(cn1)-c1ccncc1-c1cnc2N(CCCc2c1)C(N)=O
Show InChI InChI=1S/C18H18N6O/c1-23-11-14(9-22-23)15-4-5-20-10-16(15)13-7-12-3-2-6-24(18(19)25)17(12)21-8-13/h4-5,7-11H,2-3,6H2,1H3,(H2,19,25)
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n/an/a>1.00E+3n/an/an/an/a7.4n/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). Mitochondr...


US Patent US9181272 (2015)


BindingDB Entry DOI: 10.7270/Q2VX0F93
More data for this
Ligand-Target Pair
Aldosterone Synthase (CYP11B2)


(Cercopithecus sabaeus)
BDBM191267
PNG
(US9181272, 37)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccncc1-c1cnc2N(CCCc2c1)C(N)=O
Show InChI InChI=1S/C21H20N4O3S/c1-29(27,28)17-6-4-14(5-7-17)18-8-9-23-13-19(18)16-11-15-3-2-10-25(21(22)26)20(15)24-12-16/h4-9,11-13H,2-3,10H2,1H3,(H2,22,26)
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n/an/a>1.00E+3n/an/an/an/a7.4n/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). Mitochondr...


US Patent US9181272 (2015)


BindingDB Entry DOI: 10.7270/Q2VX0F93
More data for this
Ligand-Target Pair
Aldosterone Synthase (CYP11B2)


(Cercopithecus sabaeus)
BDBM191268
PNG
(US9181272, 38)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cncc(c1)-c1cnc2N(CCCc2c1)C(N)=O
Show InChI InChI=1S/C21H20N4O3S/c1-29(27,28)19-6-4-14(5-7-19)16-10-17(12-23-11-16)18-9-15-3-2-8-25(21(22)26)20(15)24-13-18/h4-7,9-13H,2-3,8H2,1H3,(H2,22,26)
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n/an/a 4n/an/an/an/a7.4n/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). Mitochondr...


US Patent US9181272 (2015)


BindingDB Entry DOI: 10.7270/Q2VX0F93
More data for this
Ligand-Target Pair
Aldosterone Synthase (CYP11B2)


(Cercopithecus sabaeus)
BDBM191269
PNG
(US9181272, 39)
Show SMILES NC(=O)N1CCCc2cc(cnc12)-c1cncc(c1)C(N)=O
Show InChI InChI=1S/C15H15N5O2/c16-13(21)12-5-10(6-18-7-12)11-4-9-2-1-3-20(15(17)22)14(9)19-8-11/h4-8H,1-3H2,(H2,16,21)(H2,17,22)
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n/an/a 120n/an/an/an/a7.4n/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). Mitochondr...


US Patent US9181272 (2015)


BindingDB Entry DOI: 10.7270/Q2VX0F93
More data for this
Ligand-Target Pair
Aldosterone Synthase (CYP11B2)


(Cercopithecus sabaeus)
BDBM191270
PNG
(US9181272, 40)
Show SMILES CC(=O)NCc1cncc(c1)-c1cnc2N(CCCc2c1)C(N)=O
Show InChI InChI=1S/C17H19N5O2/c1-11(23)20-8-12-5-14(9-19-7-12)15-6-13-3-2-4-22(17(18)24)16(13)21-10-15/h5-7,9-10H,2-4,8H2,1H3,(H2,18,24)(H,20,23)
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n/an/a 23.5n/an/an/an/a7.4n/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). Mitochondr...


US Patent US9181272 (2015)


BindingDB Entry DOI: 10.7270/Q2VX0F93
More data for this
Ligand-Target Pair
Aldosterone Synthase (CYP11B2)


(Cercopithecus sabaeus)
BDBM191271
PNG
(US9181272, 41)
Show SMILES CCS(=O)(=O)NCc1cncc(c1)-c1cnc2N(CCCc2c1)C(N)=O
Show InChI InChI=1S/C17H21N5O3S/c1-2-26(24,25)21-9-12-6-14(10-19-8-12)15-7-13-4-3-5-22(17(18)23)16(13)20-11-15/h6-8,10-11,21H,2-5,9H2,1H3,(H2,18,23)
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n/an/a 22.6n/an/an/an/a7.4n/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). Mitochondr...


US Patent US9181272 (2015)


BindingDB Entry DOI: 10.7270/Q2VX0F93
More data for this
Ligand-Target Pair
Aldosterone Synthase (CYP11B2)


(Cercopithecus sabaeus)
BDBM191272
PNG
(US9181272, 42)
Show SMILES NC(=O)N1CCCc2cc(cnc12)-c1cncc(CO)c1
Show InChI InChI=1S/C15H16N4O2/c16-15(21)19-3-1-2-11-5-13(8-18-14(11)19)12-4-10(9-20)6-17-7-12/h4-8,20H,1-3,9H2,(H2,16,21)
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n/an/a 9.20n/an/an/an/a7.4n/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). Mitochondr...


US Patent US9181272 (2015)


BindingDB Entry DOI: 10.7270/Q2VX0F93
More data for this
Ligand-Target Pair
Aldosterone Synthase (CYP11B2)


(Cercopithecus sabaeus)
BDBM191273
PNG
(US9181272, 43)
Show SMILES NC(=O)N1CCC(F)(F)c2cc(cnc12)-c1cccnc1
Show InChI InChI=1S/C14H12F2N4O/c15-14(16)3-5-20(13(17)21)12-11(14)6-10(8-19-12)9-2-1-4-18-7-9/h1-2,4,6-8H,3,5H2,(H2,17,21)
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n/an/a 79n/an/an/an/a7.4n/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). Mitochondr...


US Patent US9181272 (2015)


BindingDB Entry DOI: 10.7270/Q2VX0F93
More data for this
Ligand-Target Pair
Aldosterone Synthase (CYP11B2)


(Cercopithecus sabaeus)
BDBM191274
PNG
(US9181272, 44)
Show SMILES NC(=O)N1CCC(O)c2cc(cnc12)-c1cccnc1
Show InChI InChI=1S/C14H14N4O2/c15-14(20)18-5-3-12(19)11-6-10(8-17-13(11)18)9-2-1-4-16-7-9/h1-2,4,6-8,12,19H,3,5H2,(H2,15,20)
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n/an/a 370n/an/an/an/a7.4n/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). Mitochondr...


US Patent US9181272 (2015)


BindingDB Entry DOI: 10.7270/Q2VX0F93
More data for this
Ligand-Target Pair
Aldosterone Synthase (CYP11B2)


(Cercopithecus sabaeus)
BDBM191275
PNG
(US9181272, 45)
Show SMILES NC(=O)N1CCCc2cc(cnc12)-c1cncc(c1)C1=CCOCC1
Show InChI InChI=1S/C19H20N4O2/c20-19(24)23-5-1-2-14-8-17(12-22-18(14)23)16-9-15(10-21-11-16)13-3-6-25-7-4-13/h3,8-12H,1-2,4-7H2,(H2,20,24)
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n/an/a 36n/an/an/an/a7.4n/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). Mitochondr...


US Patent US9181272 (2015)


BindingDB Entry DOI: 10.7270/Q2VX0F93
More data for this
Ligand-Target Pair
Aldosterone Synthase (CYP11B2)


(Cercopithecus sabaeus)
BDBM191276
PNG
(US9181272, 46)
Show SMILES NC(=O)N1CCCc2cc(cnc12)-c1cncc(c1)C1=CCSCC1
Show InChI InChI=1S/C19H20N4OS/c20-19(24)23-5-1-2-14-8-17(12-22-18(14)23)16-9-15(10-21-11-16)13-3-6-25-7-4-13/h3,8-12H,1-2,4-7H2,(H2,20,24)
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n/an/a 22n/an/an/an/a7.4n/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). Mitochondr...


US Patent US9181272 (2015)


BindingDB Entry DOI: 10.7270/Q2VX0F93
More data for this
Ligand-Target Pair
Aldosterone Synthase (CYP11B2)


(Cercopithecus sabaeus)
BDBM191277
PNG
(US9181272, 47)
Show SMILES CC(C)(C)OC(=O)N1CCC(=CC1)c1cncc(c1)-c1cnc2N(CCCc2c1)C(N)=O
Show InChI InChI=1S/C24H29N5O3/c1-24(2,3)32-23(31)28-9-6-16(7-10-28)18-12-19(14-26-13-18)20-11-17-5-4-8-29(22(25)30)21(17)27-15-20/h6,11-15H,4-5,7-10H2,1-3H3,(H2,25,30)
MMDB

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n/an/a 110n/an/an/an/a7.4n/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). Mitochondr...


US Patent US9181272 (2015)


BindingDB Entry DOI: 10.7270/Q2VX0F93
More data for this
Ligand-Target Pair
Aldosterone Synthase (CYP11B2)


(Cercopithecus sabaeus)
BDBM191278
PNG
(US9181272, 48)
Show SMILES NC(=O)N1CCCc2cc(cnc12)-c1cncc(c1)C1CCOCC1
Show InChI InChI=1S/C19H22N4O2/c20-19(24)23-5-1-2-14-8-17(12-22-18(14)23)16-9-15(10-21-11-16)13-3-6-25-7-4-13/h8-13H,1-7H2,(H2,20,24)
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n/an/a 22.1n/an/an/an/a7.4n/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). Mitochondr...


US Patent US9181272 (2015)


BindingDB Entry DOI: 10.7270/Q2VX0F93
More data for this
Ligand-Target Pair
Aldosterone Synthase (CYP11B2)


(Cercopithecus sabaeus)
BDBM191279
PNG
(US9181272, 49)
Show SMILES NC(=O)N1CCOCc2cc(cnc12)-c1cncc(c1)C(F)(F)F
Show InChI InChI=1S/C15H13F3N4O2/c16-15(17,18)12-4-10(5-20-7-12)9-3-11-8-24-2-1-22(14(19)23)13(11)21-6-9/h3-7H,1-2,8H2,(H2,19,23)
MMDB

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n/an/a 250n/an/an/an/a7.4n/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). Mitochondr...


US Patent US9181272 (2015)


BindingDB Entry DOI: 10.7270/Q2VX0F93
More data for this
Ligand-Target Pair
Aldosterone Synthase (CYP11B2)


(Cercopithecus sabaeus)
BDBM191280
PNG
(US9181272, 50)
Show SMILES COc1ccncc1-c1cnc2N(CCCc2c1)C(N)=O
Show InChI InChI=1S/C15H16N4O2/c1-21-13-4-5-17-9-12(13)11-7-10-3-2-6-19(15(16)20)14(10)18-8-11/h4-5,7-9H,2-3,6H2,1H3,(H2,16,20)
MMDB

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n/an/a 21n/an/an/an/a7.4n/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). Mitochondr...


US Patent US9181272 (2015)


BindingDB Entry DOI: 10.7270/Q2VX0F93
More data for this
Ligand-Target Pair
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