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USPatent US8969348

Compile data set for download or QSAR
Found 10 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
Chymase


(Homo sapiens (Human))		BDBM144347
PNG
(US8969348, {4-[(1,4-Dimethyl-1H-indol-3-yl)methyl]...)
Show SMILES Cc1cccc2n(C)cc(Cc3nn(C(C(O)=O)c4ccccc4)c(=O)c4ccccc34)c12
Show InChI InChI=1S/C27H23N3O3/c1-17-9-8-14-23-24(17)19(16-29(23)2)15-22-20-12-6-7-13-21(20)26(31)30(28-22)25(27(32)33)18-10-4-3-5-11-18/h3-14,16,25H,15H2,1-2H3,(H,32,33)
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n/an/a 7n/an/an/an/a8.0n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Chymase assays were performed in a total volume of 15 uL in Corning black opaque 384-well microtiter plates with a non-binding surface (Corning, N.Y....

US Patent US8969348 (2015)


BindingDB Entry DOI: 10.7270/Q2J38R8B
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM144346
PNG
(US8969348, 2-{4-[(1,4-Dimethyl-1H-indol-3-yl)methy...)
Show SMILES CCCC(C(O)=O)n1nc(Cc2cn(C)c3cccc(C)c23)c2ccccc2c1=O
Show InChI InChI=1S/C24H25N3O3/c1-4-8-21(24(29)30)27-23(28)18-11-6-5-10-17(18)19(25-27)13-16-14-26(3)20-12-7-9-15(2)22(16)20/h5-7,9-12,14,21H,4,8,13H2,1-3H3,(H,29,30)
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n/an/a 9n/an/an/an/a8.0n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Chymase assays were performed in a total volume of 15 uL in Corning black opaque 384-well microtiter plates with a non-binding surface (Corning, N.Y....

US Patent US8969348 (2015)


BindingDB Entry DOI: 10.7270/Q2J38R8B
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM144340
PNG
(US8969348, {4-[(1,4-Dimethyl-1H-indol-3-yl)methyl]...)
Show SMILES Cc1cccc2n(C)cc(Cc3nn(CC(O)=O)c(=O)c4ccccc34)c12
Show InChI InChI=1S/C21H19N3O3/c1-13-6-5-9-18-20(13)14(11-23(18)2)10-17-15-7-3-4-8-16(15)21(27)24(22-17)12-19(25)26/h3-9,11H,10,12H2,1-2H3,(H,25,26)
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n/an/a 50n/an/an/an/a8.0n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Chymase assays were performed in a total volume of 15 uL in Corning black opaque 384-well microtiter plates with a non-binding surface (Corning, N.Y....

US Patent US8969348 (2015)


BindingDB Entry DOI: 10.7270/Q2J38R8B
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM144344
PNG
(US8969348, 2-[4-(Naphthalen-1-ylmethyl)-1-oxophtha...)
Show SMILES CCCC(C(O)=O)n1nc(Cc2cccc3ccccc23)c2ccccc2c1=O
Show InChI InChI=1S/C24H22N2O3/c1-2-8-22(24(28)29)26-23(27)20-14-6-5-13-19(20)21(25-26)15-17-11-7-10-16-9-3-4-12-18(16)17/h3-7,9-14,22H,2,8,15H2,1H3,(H,28,29)
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n/an/a 86n/an/an/an/a8.0n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Chymase assays were performed in a total volume of 15 uL in Corning black opaque 384-well microtiter plates with a non-binding surface (Corning, N.Y....

US Patent US8969348 (2015)


BindingDB Entry DOI: 10.7270/Q2J38R8B
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM144348
PNG
(US8969348, 2-{4-[(1-Methyl-1H-indol-3-yl)methyl]-1...)
Show SMILES CCCC(C(O)=O)n1nc(Cc2cn(C)c3ccccc23)c2ccccc2c1=O
Show InChI InChI=1S/C23H23N3O3/c1-3-8-21(23(28)29)26-22(27)18-11-5-4-10-17(18)19(24-26)13-15-14-25(2)20-12-7-6-9-16(15)20/h4-7,9-12,14,21H,3,8,13H2,1-2H3,(H,28,29)
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n/an/a 93n/an/an/an/a8.0n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Chymase assays were performed in a total volume of 15 uL in Corning black opaque 384-well microtiter plates with a non-binding surface (Corning, N.Y....

US Patent US8969348 (2015)


BindingDB Entry DOI: 10.7270/Q2J38R8B
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM144341
PNG
(US8969348, [4-(Naphthalen-1-ylmethyl)-1-oxophthala...)
Show SMILES OC(=O)Cn1nc(Cc2cccc3ccccc23)c2ccccc2c1=O
Show InChI InChI=1S/C21H16N2O3/c24-20(25)13-23-21(26)18-11-4-3-10-17(18)19(22-23)12-15-8-5-7-14-6-1-2-9-16(14)15/h1-11H,12-13H2,(H,24,25)
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n/an/a 150n/an/an/an/a8.0n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Chymase assays were performed in a total volume of 15 uL in Corning black opaque 384-well microtiter plates with a non-binding surface (Corning, N.Y....

US Patent US8969348 (2015)


BindingDB Entry DOI: 10.7270/Q2J38R8B
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM144342
PNG
(US8969348, 3-{4-[(1,4-Dimethyl-1H-indol-3-yl)methy...)
Show SMILES Cc1cccc2n(C)cc(Cc3nn(CCC(O)=O)c(=O)c4ccccc34)c12
Show InChI InChI=1S/C22H21N3O3/c1-14-6-5-9-19-21(14)15(13-24(19)2)12-18-16-7-3-4-8-17(16)22(28)25(23-18)11-10-20(26)27/h3-9,13H,10-12H2,1-2H3,(H,26,27)
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n/an/a 160n/an/an/an/a8.0n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Chymase assays were performed in a total volume of 15 uL in Corning black opaque 384-well microtiter plates with a non-binding surface (Corning, N.Y....

US Patent US8969348 (2015)


BindingDB Entry DOI: 10.7270/Q2J38R8B
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM144343
PNG
(US8969348, [4-(Naphthalen-1-ylmethyl)-1-oxophthala...)
Show SMILES OC(=O)C(c1ccccc1)n1nc(Cc2cccc3ccccc23)c2ccccc2c1=O
Show InChI InChI=1S/C27H20N2O3/c30-26-23-16-7-6-15-22(23)24(17-20-13-8-12-18-9-4-5-14-21(18)20)28-29(26)25(27(31)32)19-10-2-1-3-11-19/h1-16,25H,17H2,(H,31,32)
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n/an/a 170n/an/an/an/a8.0n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Chymase assays were performed in a total volume of 15 uL in Corning black opaque 384-well microtiter plates with a non-binding surface (Corning, N.Y....

US Patent US8969348 (2015)


BindingDB Entry DOI: 10.7270/Q2J38R8B
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM144339
PNG
(US8969348, {4-[(1-Methyl-1H-indol-3-yl)methyl]-1-o...)
Show SMILES Cn1cc(Cc2nn(CC(O)=O)c(=O)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C20H17N3O3/c1-22-11-13(14-6-4-5-9-18(14)22)10-17-15-7-2-3-8-16(15)20(26)23(21-17)12-19(24)25/h2-9,11H,10,12H2,1H3,(H,24,25)
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n/an/a 300n/an/an/an/a8.0n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Chymase assays were performed in a total volume of 15 uL in Corning black opaque 384-well microtiter plates with a non-binding surface (Corning, N.Y....

US Patent US8969348 (2015)


BindingDB Entry DOI: 10.7270/Q2J38R8B
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM144345
PNG
(US8969348, {4-[(1-Methyl-1H-indol-3-yl)methyl]-1-o...)
Show SMILES Cn1cc(Cc2nn(C(C(O)=O)c3ccccc3)c(=O)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C26H21N3O3/c1-28-16-18(19-11-7-8-14-23(19)28)15-22-20-12-5-6-13-21(20)25(30)29(27-22)24(26(31)32)17-9-3-2-4-10-17/h2-14,16,24H,15H2,1H3,(H,31,32)
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n/an/a 360n/an/an/an/a8.0n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Chymase assays were performed in a total volume of 15 uL in Corning black opaque 384-well microtiter plates with a non-binding surface (Corning, N.Y....

US Patent US8969348 (2015)


BindingDB Entry DOI: 10.7270/Q2J38R8B
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%