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Compile Data Set for Download or QSAR

Found 801 hits with Last Name = 'nemoto' and Initial = 'pa'   
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
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM26831
PNG
(N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoyleth...)
Show SMILES CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(C=O)s3)nc2c1
Show InChI InChI=1S/C24H21N5O4S/c1-28(23(33)15-5-3-2-4-6-15)16-7-9-19-18(13-16)26-24(29(19)12-11-21(25)31)27-22(32)20-10-8-17(14-30)34-20/h2-10,13-14H,11-12H2,1H3,(H2,25,31)(H,26,27,32)
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n/an/a 2n/an/an/an/a7.022



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Kinase is purified as a GST-fusion protein. The kinase activity is measured using DELFIA which utilizes europium chelate-labeled anti-phosphotyrosine...


Bioorg Med Chem Lett 19: 773-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.028
BindingDB Entry DOI: 10.7270/Q2736P62
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM26840
PNG
(N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoyleth...)
Show SMILES CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3ccncc3)nc2c1
Show InChI InChI=1S/C28H24N6O3S/c1-33(27(37)19-5-3-2-4-6-19)20-7-8-22-21(17-20)31-28(34(22)16-13-25(29)35)32-26(36)24-10-9-23(38-24)18-11-14-30-15-12-18/h2-12,14-15,17H,13,16H2,1H3,(H2,29,35)(H,31,32,36)
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n/an/a 2n/an/an/an/a7.022



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Kinase is purified as a GST-fusion protein. The kinase activity is measured using DELFIA which utilizes europium chelate-labeled anti-phosphotyrosine...


Bioorg Med Chem Lett 19: 773-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.028
BindingDB Entry DOI: 10.7270/Q2736P62
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM26843
PNG
(N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoyleth...)
Show SMILES CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1
Show InChI InChI=1S/C26H22N6O4S/c1-31(25(35)16-5-3-2-4-6-16)17-7-8-19-18(13-17)29-26(32(19)12-11-23(27)33)30-24(34)22-10-9-21(37-22)20-14-28-15-36-20/h2-10,13-15H,11-12H2,1H3,(H2,27,33)(H,29,30,34)
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n/an/a 2n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Kinase is purified as a GST-fusion protein. The kinase activity is measured using DELFIA which utilizes europium chelate-labeled anti-phosphotyrosine...


Bioorg Med Chem Lett 19: 773-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.028
BindingDB Entry DOI: 10.7270/Q2736P62
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM26847
PNG
(N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoyleth...)
Show SMILES CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3cn[nH]c3)nc2c1
Show InChI InChI=1S/C26H23N7O3S/c1-32(25(36)16-5-3-2-4-6-16)18-7-8-20-19(13-18)30-26(33(20)12-11-23(27)34)31-24(35)22-10-9-21(37-22)17-14-28-29-15-17/h2-10,13-15H,11-12H2,1H3,(H2,27,34)(H,28,29)(H,30,31,35)
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n/an/a 2n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Kinase is purified as a GST-fusion protein. The kinase activity is measured using DELFIA which utilizes europium chelate-labeled anti-phosphotyrosine...


Bioorg Med Chem Lett 19: 773-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.028
BindingDB Entry DOI: 10.7270/Q2736P62
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM26857
PNG
(N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoyleth...)
Show SMILES CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3cncc(c3)C#N)nc2c1
Show InChI InChI=1S/C29H23N7O3S/c1-35(28(39)19-5-3-2-4-6-19)21-7-8-23-22(14-21)33-29(36(23)12-11-26(31)37)34-27(38)25-10-9-24(40-25)20-13-18(15-30)16-32-17-20/h2-10,13-14,16-17H,11-12H2,1H3,(H2,31,37)(H,33,34,38)
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n/an/a 2n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Kinase is purified as a GST-fusion protein. The kinase activity is measured using DELFIA which utilizes europium chelate-labeled anti-phosphotyrosine...


Bioorg Med Chem Lett 19: 773-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.028
BindingDB Entry DOI: 10.7270/Q2736P62
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)
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
Cathepsin G


(Homo sapiens (Human))
BDBM50349174
PNG
(CHEMBL1807526)
Show SMILES Cc1cccc2scc(Cn3c4ccccc4n(CCC(O)=O)c3=O)c12
Show InChI InChI=1S/C20H18N2O3S/c1-13-5-4-8-17-19(13)14(12-26-17)11-22-16-7-3-2-6-15(16)21(20(22)25)10-9-18(23)24/h2-8,12H,9-11H2,1H3,(H,23,24)
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n/an/a 2.10n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G after 1 hr by fluorometric assay


Bioorg Med Chem Lett 21: 4533-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.126
BindingDB Entry DOI: 10.7270/Q23B60H0
More data for this
Ligand-Target Pair
Aldosterone Synthase (CYP11B2)


(Cercopithecus sabaeus)
BDBM191414
PNG
(US9181272, 184 | US9181272, 195 | US9181272, 196)
Show SMILES NC(=O)N1CCCc2cc(cnc12)-c1cncc(c1)C(O)C(F)(F)F
Show InChI InChI=1S/C16H15F3N4O2/c17-16(18,19)13(24)12-5-10(6-21-7-12)11-4-9-2-1-3-23(15(20)25)14(9)22-8-11/h4-8,13,24H,1-3H2,(H2,20,25)
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n/an/a 2.60n/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)
BDBM191361
PNG
(US9181272, 131)
Show SMILES NC(=O)N1CCCc2cc(cnc12)-c1cncc(c1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C20H19N5O3S/c21-20(26)25-7-1-2-14-8-17(12-24-19(14)25)16-9-15(10-23-11-16)13-3-5-18(6-4-13)29(22,27)28/h3-6,8-12H,1-2,7H2,(H2,21,26)(H2,22,27,28)
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n/an/a 2.70n/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
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM26854
PNG
(N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoyleth...)
Show SMILES CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3ccnc(F)c3)nc2c1
Show InChI InChI=1S/C28H23FN6O3S/c1-34(27(38)17-5-3-2-4-6-17)19-7-8-21-20(16-19)32-28(35(21)14-12-25(30)36)33-26(37)23-10-9-22(39-23)18-11-13-31-24(29)15-18/h2-11,13,15-16H,12,14H2,1H3,(H2,30,36)(H,32,33,37)
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n/an/a 3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Kinase is purified as a GST-fusion protein. The kinase activity is measured using DELFIA which utilizes europium chelate-labeled anti-phosphotyrosine...


Bioorg Med Chem Lett 19: 773-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.028
BindingDB Entry DOI: 10.7270/Q2736P62
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50274339
PNG
(CHEMBL485607 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)
Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(Br)cc3)nc2c1
Show InChI InChI=1S/C25H28BrN5O3/c1-30(24(34)17-5-3-2-4-6-17)19-11-12-21-20(15-19)28-25(31(21)14-13-22(27)32)29-23(33)16-7-9-18(26)10-8-16/h7-12,15,17H,2-6,13-14H2,1H3,(H2,27,32)(H,28,29,33)
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n/an/a 3n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of ITK by DELFIA assay


Bioorg Med Chem Lett 18: 5545-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50274045
PNG
(3-[2-[2-(4-Cyano-phenyl)-2-oxo-ethyl]-5-(2-cyclohe...)
Show SMILES CC(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(CC(=O)c3ccc(cc3)C#N)nc2c1
Show InChI InChI=1S/C28H30N4O3/c1-18(28(35)21-5-3-2-4-6-21)22-11-12-24-23(15-22)31-27(32(24)14-13-26(30)34)16-25(33)20-9-7-19(17-29)8-10-20/h7-12,15,18,21H,2-6,13-14,16H2,1H3,(H2,30,34)
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n/an/a 3n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of ITK by DELFIA assay


Bioorg Med Chem Lett 18: 5545-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD
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)
BDBM191385
PNG
(US9181272, 155)
Show SMILES NC(=O)N1CCCc2cc(cnc12)-c1cncc(Cl)c1C#N
Show InChI InChI=1S/C15H12ClN5O/c16-13-8-19-7-12(11(13)5-17)10-4-9-2-1-3-21(15(18)22)14(9)20-6-10/h4,6-8H,1-3H2,(H2,18,22)
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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)
BDBM191519
PNG
(US9181272, 289)
Show SMILES Cc1ccncc1-c1cnc2N(CCc2c1)C(N)=O
Show InChI InChI=1S/C14H14N4O/c1-9-2-4-16-8-12(9)11-6-10-3-5-18(14(15)19)13(10)17-7-11/h2,4,6-8H,3,5H2,1H3,(H2,15,19)
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n/an/a 3.20n/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
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM125960
PNG
(US8772304, 22)
Show SMILES CC(C)(C)n1c(nc2cc(ccc12)-c1cnc(N)nc1)-c1cc(Cl)cnc1-n1cncn1
Show InChI InChI=1S/C22H20ClN9/c1-22(2,3)32-18-5-4-13(14-8-27-21(24)28-9-14)6-17(18)30-20(32)16-7-15(23)10-26-19(16)31-12-25-11-29-31/h4-12H,1-3H3,(H2,24,27,28)
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n/an/a 3.20n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP in...


US Patent US8772304 (2014)


BindingDB Entry DOI: 10.7270/Q22F7M4M
More data for this
Ligand-Target Pair
Aldosterone Synthase (CYP11B2)


(Cercopithecus sabaeus)
BDBM191522
PNG
(US9181272, 292)
Show SMILES NC(=O)N1CCc2cc(cnc12)-c1cnccc1C(F)(F)F
Show InChI InChI=1S/C14H11F3N4O/c15-14(16,17)11-1-3-19-7-10(11)9-5-8-2-4-21(13(18)22)12(8)20-6-9/h1,3,5-7H,2,4H2,(H2,18,22)
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n/an/a 3.20n/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)
BDBM191372
PNG
(US9181272, 142)
Show SMILES NC(=O)N1CCCc2cc(cnc12)-c1cncc(c1)-c1ccc(CC#N)cc1
Show InChI InChI=1S/C22H19N5O/c23-8-7-15-3-5-16(6-4-15)18-11-19(13-25-12-18)20-10-17-2-1-9-27(22(24)28)21(17)26-14-20/h3-6,10-14H,1-2,7,9H2,(H2,24,28)
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n/an/a 3.30n/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)
BDBM191346
PNG
(US9181272, 116)
Show SMILES NC(=O)N1CCCc2cc(cnc12)-c1cncc(NCc2ccccc2)c1
Show InChI InChI=1S/C21H21N5O/c22-21(27)26-8-4-7-16-9-17(13-25-20(16)26)18-10-19(14-23-12-18)24-11-15-5-2-1-3-6-15/h1-3,5-6,9-10,12-14,24H,4,7-8,11H2,(H2,22,27)
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n/an/a 3.5n/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)
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)
BDBM191366
PNG
(US9181272, 136)
Show SMILES NC(=O)N1CCCc2cc(cnc12)-c1cncc(c1)-c1cccc(CC#N)c1
Show InChI InChI=1S/C22H19N5O/c23-7-6-15-3-1-4-16(9-15)18-11-19(13-25-12-18)20-10-17-5-2-8-27(22(24)28)21(17)26-14-20/h1,3-4,9-14H,2,5-6,8H2,(H2,24,28)
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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)
BDBM191494
PNG
(US9181272, 264)
Show SMILES NC(=O)N1CCCc2cc(cnc12)-c1cncc(c1)C1(CC1)C#N
Show InChI InChI=1S/C18H17N5O/c19-11-18(3-4-18)15-7-14(8-21-10-15)13-6-12-2-1-5-23(17(20)24)16(12)22-9-13/h6-10H,1-5H2,(H2,20,24)
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n/an/a 3.70n/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
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM125961
PNG
(US8772304, 23)
Show SMILES CC(C)(C)n1c(nc2cc(ccc12)-c1cnc(N)nc1)-c1cc(Br)cnc1-n1cncn1
Show InChI InChI=1S/C22H20BrN9/c1-22(2,3)32-18-5-4-13(14-8-27-21(24)28-9-14)6-17(18)30-20(32)16-7-15(23)10-26-19(16)31-12-25-11-29-31/h4-12H,1-3H3,(H2,24,27,28)
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n/an/a 4n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP in...


US Patent US8772304 (2014)


BindingDB Entry DOI: 10.7270/Q22F7M4M
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
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50274669
PNG
(CHEMBL485031 | N-(1-(3-(1H-imidazol-1-yl)propyl)-5...)
Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCCn3ccnc3)c(NC(=O)c3ccc(cc3)C#N)nc2c1
Show InChI InChI=1S/C29H31N7O2/c1-34(28(38)23-6-3-2-4-7-23)24-12-13-26-25(18-24)32-29(36(26)16-5-15-35-17-14-31-20-35)33-27(37)22-10-8-21(19-30)9-11-22/h8-14,17-18,20,23H,2-7,15-16H2,1H3,(H,32,33,37)
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n/an/a 4n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of ITK by DELFIA assay


Bioorg Med Chem Lett 18: 5545-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50274340
PNG
(CHEMBL483403 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)
Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(Cl)cc3)nc2c1
Show InChI InChI=1S/C25H28ClN5O3/c1-30(24(34)17-5-3-2-4-6-17)19-11-12-21-20(15-19)28-25(31(21)14-13-22(27)32)29-23(33)16-7-9-18(26)10-8-16/h7-12,15,17H,2-6,13-14H2,1H3,(H2,27,32)(H,28,29,33)
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n/an/a 4n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of ITK by DELFIA assay


Bioorg Med Chem Lett 18: 5545-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50274470
PNG
(CHEMBL485555 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)
Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3cccc(c3)C#N)nc2c1
Show InChI InChI=1S/C26H28N6O3/c1-31(25(35)18-7-3-2-4-8-18)20-10-11-22-21(15-20)29-26(32(22)13-12-23(28)33)30-24(34)19-9-5-6-17(14-19)16-27/h5-6,9-11,14-15,18H,2-4,7-8,12-13H2,1H3,(H2,28,33)(H,29,30,34)
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n/an/a 4n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of ITK by DELFIA assay


Bioorg Med Chem Lett 18: 5545-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50274471
PNG
(CHEMBL485556 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)
Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
Show InChI InChI=1S/C26H28N6O3/c1-31(25(35)19-5-3-2-4-6-19)20-11-12-22-21(15-20)29-26(32(22)14-13-23(28)33)30-24(34)18-9-7-17(16-27)8-10-18/h7-12,15,19H,2-6,13-14H2,1H3,(H2,28,33)(H,29,30,34)
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n/an/a 4n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of ITK by DELFIA assay


Bioorg Med Chem Lett 18: 5545-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM336943
PNG
(US9745289, Compound 59A | US9745289, Compound 59B)
Show SMILES Cc1cncc(c1)C1COc2c(O1)cccc2C(N)=O
Show InChI InChI=1S/C15H14N2O3/c1-9-5-10(7-17-6-9)13-8-19-14-11(15(16)18)3-2-4-12(14)20-13/h2-7,13H,8H2,1H3,(H2,16,18)
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n/an/a 4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assays are performed in 96-well format in a final volume of 60 μL/well, containing 100 mM potassium phosphate, pH 7.4, 1% (v/v) DMSO, and additi...


US Patent US9745289 (2017)

More data for this
Ligand-Target Pair
Aldosterone Synthase (CYP11B2)


(Cercopithecus sabaeus)
BDBM191467
PNG
(US9181272, 237)
Show SMILES NC(=O)N1CCCc2cc(cnc12)-c1cncc(c1)C1CC1
Show InChI InChI=1S/C17H18N4O/c18-17(22)21-5-1-2-12-6-15(10-20-16(12)21)14-7-13(8-19-9-14)11-3-4-11/h6-11H,1-5H2,(H2,18,22)
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n/an/a 4.10n/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
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM125940
PNG
(US8772304, 2)
Show SMILES Cc1ncn(n1)-c1ccc(nc1-c1nc2cc(ccc2n1C(C)(C)C)-c1cnc(N)nc1)C#N
Show InChI InChI=1S/C24H22N10/c1-14-29-13-33(32-14)20-8-6-17(10-25)30-21(20)22-31-18-9-15(16-11-27-23(26)28-12-16)5-7-19(18)34(22)24(2,3)4/h5-9,11-13H,1-4H3,(H2,26,27,28)
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n/an/a 4.20n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP in...


US Patent US8772304 (2014)


BindingDB Entry DOI: 10.7270/Q22F7M4M
More data for this
Ligand-Target Pair
Aldosterone Synthase (CYP11B2)


(Cercopithecus sabaeus)
BDBM191414
PNG
(US9181272, 184 | US9181272, 195 | US9181272, 196)
Show SMILES NC(=O)N1CCCc2cc(cnc12)-c1cncc(c1)C(O)C(F)(F)F
Show InChI InChI=1S/C16H15F3N4O2/c17-16(18,19)13(24)12-5-10(6-21-7-12)11-4-9-2-1-3-23(15(20)25)14(9)22-8-11/h4-8,13,24H,1-3H2,(H2,20,25)
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n/an/a 4.30n/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)
BDBM191458
PNG
(US9181272, 228)
Show SMILES NC(=O)N1CCCc2cc(cnc12)-c1cncc(COCC(=O)N2CCCCC2)c1
Show InChI InChI=1S/C22H27N5O3/c23-22(29)27-8-4-5-17-10-19(13-25-21(17)27)18-9-16(11-24-12-18)14-30-15-20(28)26-6-2-1-3-7-26/h9-13H,1-8,14-15H2,(H2,23,29)
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n/an/a 4.30n/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)
BDBM191489
PNG
(US9181272, 259)
Show SMILES CC(C#N)c1cncc(c1)-c1cnc2N(CCCc2c1)C(N)=O
Show InChI InChI=1S/C17H17N5O/c1-11(7-18)13-6-14(9-20-8-13)15-5-12-3-2-4-22(17(19)23)16(12)21-10-15/h5-6,8-11H,2-4H2,1H3,(H2,19,23)
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n/an/a 4.40n/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)
BDBM191311
PNG
(US9181272, 81)
Show SMILES NC(=O)N1CCCc2cc(cnc12)-c1cncc(OCC2CCOCC2)c1
Show InChI InChI=1S/C20H24N4O3/c21-20(25)24-5-1-2-15-8-16(11-23-19(15)24)17-9-18(12-22-10-17)27-13-14-3-6-26-7-4-14/h8-12,14H,1-7,13H2,(H2,21,25)
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n/an/a 4.60n/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)
BDBM191374
PNG
(US9181272, 144)
Show SMILES NC(=O)N1CCCc2cc(cnc12)-c1cncc(c1)-c1ccccc1CO
Show InChI InChI=1S/C21H20N4O2/c22-21(27)25-7-3-5-14-8-17(12-24-20(14)25)16-9-18(11-23-10-16)19-6-2-1-4-15(19)13-26/h1-2,4,6,8-12,26H,3,5,7,13H2,(H2,22,27)
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n/an/a 4.60n/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
Cathepsin G


(Homo sapiens (Human))
BDBM50349176
PNG
(CHEMBL1807531)
Show SMILES Cc1cccc2n(C)cc(Cn3c4ccccc4n(CCC(O)=O)c3=O)c12
Show InChI InChI=1S/C21H21N3O3/c1-14-6-5-9-18-20(14)15(12-22(18)2)13-24-17-8-4-3-7-16(17)23(21(24)27)11-10-19(25)26/h3-9,12H,10-11,13H2,1-2H3,(H,25,26)
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n/an/a 4.80n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G after 1 hr by fluorometric assay


Bioorg Med Chem Lett 21: 4533-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.126
BindingDB Entry DOI: 10.7270/Q23B60H0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM26839
PNG
(N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoyleth...)
Show SMILES CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3cccnc3)nc2c1
Show InChI InChI=1S/C28H24N6O3S/c1-33(27(37)18-6-3-2-4-7-18)20-9-10-22-21(16-20)31-28(34(22)15-13-25(29)35)32-26(36)24-12-11-23(38-24)19-8-5-14-30-17-19/h2-12,14,16-17H,13,15H2,1H3,(H2,29,35)(H,31,32,36)
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n/an/a 5n/an/an/an/a7.022



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Kinase is purified as a GST-fusion protein. The kinase activity is measured using DELFIA which utilizes europium chelate-labeled anti-phosphotyrosine...


Bioorg Med Chem Lett 19: 773-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.028
BindingDB Entry DOI: 10.7270/Q2736P62
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM26856
PNG
(N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoyleth...)
Show SMILES CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3ccc(F)nc3)nc2c1
Show InChI InChI=1S/C28H23FN6O3S/c1-34(27(38)17-5-3-2-4-6-17)19-8-9-21-20(15-19)32-28(35(21)14-13-25(30)36)33-26(37)23-11-10-22(39-23)18-7-12-24(29)31-16-18/h2-12,15-16H,13-14H2,1H3,(H2,30,36)(H,32,33,37)
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n/an/a 5n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Kinase is purified as a GST-fusion protein. The kinase activity is measured using DELFIA which utilizes europium chelate-labeled anti-phosphotyrosine...


Bioorg Med Chem Lett 19: 773-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.028
BindingDB Entry DOI: 10.7270/Q2736P62
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
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50274246
PNG
(CHEMBL485232 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)
Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3cccnc3)nc2c1
Show InChI InChI=1S/C24H28N6O3/c1-29(23(33)16-6-3-2-4-7-16)18-9-10-20-19(14-18)27-24(30(20)13-11-21(25)31)28-22(32)17-8-5-12-26-15-17/h5,8-10,12,14-16H,2-4,6-7,11,13H2,1H3,(H2,25,31)(H,27,28,32)
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n/an/a 5n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of ITK by DELFIA assay


Bioorg Med Chem Lett 18: 5545-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50274671
PNG
(4-cyano-N-(5-(N-methylcyclohexanecarboxamido)-1-(3...)
Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCCN3CCN(C)CC3)c(NC(=O)c3ccc(cc3)C#N)nc2c1
Show InChI InChI=1S/C31H39N7O2/c1-35-17-19-37(20-18-35)15-6-16-38-28-14-13-26(36(2)30(40)25-7-4-3-5-8-25)21-27(28)33-31(38)34-29(39)24-11-9-23(22-32)10-12-24/h9-14,21,25H,3-8,15-20H2,1-2H3,(H,33,34,39)
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Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of ITK by DELFIA assay


Bioorg Med Chem Lett 18: 5545-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50274705
PNG
(4-cyano-N-(5-(N-methylcyclohexanecarboxamido)-1-(3...)
Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(=O)N3CCNCC3)c(NC(=O)c3ccc(cc3)C#N)nc2c1
Show InChI InChI=1S/C30H35N7O3/c1-35(29(40)23-5-3-2-4-6-23)24-11-12-26-25(19-24)33-30(34-28(39)22-9-7-21(20-31)8-10-22)37(26)16-13-27(38)36-17-14-32-15-18-36/h7-12,19,23,32H,2-6,13-18H2,1H3,(H,33,34,39)
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n/an/a 5n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of ITK by DELFIA assay


Bioorg Med Chem Lett 18: 5545-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM336866
PNG
(US9745289, Compound 21A | US9745289, Compound 21B)
Show SMILES Cc1c(F)cncc1C1COc2c(O1)cccc2C(N)=O
Show InChI InChI=1S/C15H13FN2O3/c1-8-10(5-18-6-11(8)16)13-7-20-14-9(15(17)19)3-2-4-12(14)21-13/h2-6,13H,7H2,1H3,(H2,17,19)
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n/an/a 5n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assays are performed in 96-well format in a final volume of 60 μL/well, containing 100 mM potassium phosphate, pH 7.4, 1% (v/v) DMSO, and additi...


US Patent US9745289 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM336914
PNG
(US9745289, Compound 45A | US9745289, Compound 45B)
Show SMILES CCOc1cncc(c1)C1COc2c(O1)cccc2C(N)=O
Show InChI InChI=1S/C16H16N2O4/c1-2-20-11-6-10(7-18-8-11)14-9-21-15-12(16(17)19)4-3-5-13(15)22-14/h3-8,14H,2,9H2,1H3,(H2,17,19)
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n/an/a 5n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assays are performed in 96-well format in a final volume of 60 μL/well, containing 100 mM potassium phosphate, pH 7.4, 1% (v/v) DMSO, and additi...


US Patent US9745289 (2017)

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)
BDBM191414
PNG
(US9181272, 184 | US9181272, 195 | US9181272, 196)
Show SMILES NC(=O)N1CCCc2cc(cnc12)-c1cncc(c1)C(O)C(F)(F)F
Show InChI InChI=1S/C16H15F3N4O2/c17-16(18,19)13(24)12-5-10(6-21-7-12)11-4-9-2-1-3-23(15(20)25)14(9)22-8-11/h4-8,13,24H,1-3H2,(H2,20,25)
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n/an/a 5.20n/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)
BDBM191324
PNG
(US9181272, 94)
Show SMILES NC(=O)N1CCCc2cc(cnc12)-c1cncc(c1)C1(O)CCC1
Show InChI InChI=1S/C18H20N4O2/c19-17(23)22-6-1-3-12-7-13(10-21-16(12)22)14-8-15(11-20-9-14)18(24)4-2-5-18/h7-11,24H,1-6H2,(H2,19,23)
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n/an/a 5.20n/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)
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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n/an/a 5.20n/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
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