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Patent code US9914740

Compile Data Set for Download or QSAR

Found 420 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
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM376441
PNG
(6-ethyl-N-[(1R)-1-(3- methoxyphenyl)ethyl]- 6H-is...)
Show SMILES CCC1Oc2cnccc2-c2ccc(cc12)C(=O)N[C@H](C)c1cccc(OC)c1
Show InChI InChI=1/C24H24N2O3/c1-4-22-21-13-17(8-9-19(21)20-10-11-25-14-23(20)29-22)24(27)26-15(2)16-6-5-7-18(12-16)28-3/h5-15,22H,4H2,1-3H3,(H,26,27)/t15-,22?/s2
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n/an/a 0.180n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...


US Patent US9914740 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM376378
PNG
(US9914740, VIII-4 | methyl 3-((6-methyl-6H- isochr...)
Show SMILES COC(=O)c1cccc(CNCc2ccc-3c(c2)C(C)Oc2cnccc-32)c1
Show InChI InChI=1/C23H22N2O3/c1-15-21-11-17(6-7-19(21)20-8-9-24-14-22(20)28-15)13-25-12-16-4-3-5-18(10-16)23(26)27-2/h3-11,14-15,25H,12-13H2,1-2H3
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n/an/a 0.340n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...


US Patent US9914740 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM376357
PNG
((R)-N-(1-(3- methoxyphenyl) ethyl)-6H-iso- chromen...)
Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc-2c(COc3cccnc-23)c1
Show InChI InChI=1S/C22H20N2O3/c1-14(15-5-3-6-18(12-15)26-2)24-22(25)16-8-9-19-17(11-16)13-27-20-7-4-10-23-21(19)20/h3-12,14H,13H2,1-2H3,(H,24,25)/t14-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...


US Patent US9914740 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50089582
PNG
(CHEMBL3578250 | US9914740, I-1)
Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc-2c(OCc3cnccc-23)c1
Show InChI InChI=1/C22H20N2O3/c1-14(15-4-3-5-18(10-15)26-2)24-22(25)16-6-7-20-19-8-9-23-12-17(19)13-27-21(20)11-16/h3-12,14H,13H2,1-2H3,(H,24,25)/t14-/s2
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n/an/a 0.510n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...


US Patent US9914740 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM376441
PNG
(6-ethyl-N-[(1R)-1-(3- methoxyphenyl)ethyl]- 6H-is...)
Show SMILES CCC1Oc2cnccc2-c2ccc(cc12)C(=O)N[C@H](C)c1cccc(OC)c1
Show InChI InChI=1/C24H24N2O3/c1-4-22-21-13-17(8-9-19(21)20-10-11-25-14-23(20)29-22)24(27)26-15(2)16-6-5-7-18(12-16)28-3/h5-15,22H,4H2,1-3H3,(H,26,27)/t15-,22?/s2
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n/an/a 0.520n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...


US Patent US9914740 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50089584
PNG
(CHEMBL3578252 | US9914740, VIII-15)
Show SMILES CCC1Oc2cnccc2-c2ccc(cc12)C(=O)N[C@H](C)c1cccc(OC)c1
Show InChI InChI=1/C24H24N2O3/c1-4-22-21-13-17(8-9-19(21)20-10-11-25-14-23(20)29-22)24(27)26-15(2)16-6-5-7-18(12-16)28-3/h5-15,22H,4H2,1-3H3,(H,26,27)/t15-,22?/s2
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Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...


US Patent US9914740 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM376375
PNG
(US9914740, VIII-1)
Show SMILES CCC1Oc2cnccc2-c2ccc(cc12)C(=O)NCc1cccc(c1)C(=O)OC
Show InChI InChI=1/C24H22N2O4/c1-3-21-20-12-16(7-8-18(20)19-9-10-25-14-22(19)30-21)23(27)26-13-15-5-4-6-17(11-15)24(28)29-2/h4-12,14,21H,3,13H2,1-2H3,(H,26,27)
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n/an/a 0.590n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...


US Patent US9914740 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM376390
PNG
(N-(3-(((S)-1-ethylpyrrolidin- 2-yl)methylcarbamoyl...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1cccc(CNC(=O)c2ccc-3c(c2)C(C)Oc2cnccc-32)c1
Show InChI InChI=1S/C29H32N4O3/c1-3-33-13-5-8-23(33)17-32-28(34)21-7-4-6-20(14-21)16-31-29(35)22-9-10-24-25-11-12-30-18-27(25)36-19(2)26(24)15-22/h4,6-7,9-12,14-15,18-19,23H,3,5,8,13,16-17H2,1-2H3,(H,31,35)(H,32,34)/t19?,23-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...


US Patent US9914740 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM376377
PNG
(US9914740, VIII-3 | US9914740, XI-20 | US9914740, ...)
Show SMILES CCC1Oc2cnccc2-c2ccc(cc12)C(=O)NCc1cccc(c1)C(=O)NCC(C)(C)O
Show InChI InChI=1/C27H29N3O4/c1-4-23-22-13-19(8-9-20(22)21-10-11-28-15-24(21)34-23)25(31)29-14-17-6-5-7-18(12-17)26(32)30-16-27(2,3)33/h5-13,15,23,33H,4,14,16H2,1-3H3,(H,29,31)(H,30,32)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...


US Patent US9914740 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM376397
PNG
(6-cyclopropyl-N-((R)-1-(3- methoxyphenyl)ethyl)-6H...)
Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc-2c(c1)C(Oc1cnccc-21)C1CC1
Show InChI InChI=1S/C25H24N2O3/c1-15(17-4-3-5-19(12-17)29-2)27-25(28)18-8-9-20-21-10-11-26-14-23(21)30-24(16-6-7-16)22(20)13-18/h3-5,8-16,24H,6-7H2,1-2H3,(H,27,28)/t15-,24?/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...


US Patent US9914740 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM376371
PNG
(N-(3-(1- methylazetidin-3- ylcarbamoyl) benzyl)-6H...)
Show SMILES CN1CC(C1)NC(=O)c1cccc(CNC(=O)c2ccc-3c(COc4cnccc-34)c2)c1
Show InChI InChI=1S/C25H24N4O3/c1-29-13-20(14-29)28-25(31)17-4-2-3-16(9-17)11-27-24(30)18-5-6-21-19(10-18)15-32-23-12-26-8-7-22(21)23/h2-10,12,20H,11,13-15H2,1H3,(H,27,30)(H,28,31)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...


US Patent US9914740 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM376388
PNG
(N-(3-(2-hydroxy-2- methylpropylcarbamoyl) benzyl)-...)
Show SMILES CC1Oc2cnccc2-c2ccc(cc12)C(=O)NCc1cccc(c1)C(=O)NCC(C)(C)O
Show InChI InChI=1/C26H27N3O4/c1-16-22-12-19(7-8-20(22)21-9-10-27-14-23(21)33-16)24(30)28-13-17-5-4-6-18(11-17)25(31)29-15-26(2,3)32/h4-12,14,16,32H,13,15H2,1-3H3,(H,28,30)(H,29,31)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...


US Patent US9914740 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM376367
PNG
(N-(3- (ethylcarbamoyl) benzyl)-6H- isochromeno [3,...)
Show SMILES CCNC(=O)c1cccc(CNC(=O)c2ccc-3c(COc4cnccc-34)c2)c1
Show InChI InChI=1S/C23H21N3O3/c1-2-25-22(27)16-5-3-4-15(10-16)12-26-23(28)17-6-7-19-18(11-17)14-29-21-13-24-9-8-20(19)21/h3-11,13H,2,12,14H2,1H3,(H,25,27)(H,26,28)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...


US Patent US9914740 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM376188
PNG
(N-(3-hydroxybenzyl)-5H- chromeno[3,4-c]pyridine-8-...)
Show SMILES Oc1cccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c1
Show InChI InChI=1S/C20H16N2O3/c23-16-3-1-2-13(8-16)10-22-20(24)14-4-5-18-17-6-7-21-11-15(17)12-25-19(18)9-14/h1-9,11,23H,10,12H2,(H,22,24)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...


US Patent US9914740 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM376386
PNG
(N-(3-carbamoylbenzyl)-6- methyl-6H-isochromeno [3,...)
Show SMILES CC1Oc2cnccc2-c2ccc(cc12)C(=O)NCc1cccc(c1)C(N)=O
Show InChI InChI=1/C22H19N3O3/c1-13-19-10-16(5-6-17(19)18-7-8-24-12-20(18)28-13)22(27)25-11-14-3-2-4-15(9-14)21(23)26/h2-10,12-13H,11H2,1H3,(H2,23,26)(H,25,27)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...


US Patent US9914740 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM376380
PNG
(N-((R)-1-(3-methoxyphenyl) ethyl)-6-methyl-6H-isoc...)
Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc-2c(c1)C(C)Oc1cnccc-21
Show InChI InChI=1S/C23H22N2O3/c1-14(16-5-4-6-18(11-16)27-3)25-23(26)17-7-8-19-20-9-10-24-13-22(20)28-15(2)21(19)12-17/h4-15H,1-3H3,(H,25,26)/t14-,15?/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...


US Patent US9914740 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM376381
PNG
(6-methyl-N-(3-(methylcarbamoyl) benzyl)-6H-isochro...)
Show SMILES CNC(=O)c1cccc(CNC(=O)c2ccc-3c(c2)C(C)Oc2cnccc-32)c1
Show InChI InChI=1/C23H21N3O3/c1-14-20-11-17(6-7-18(20)19-8-9-25-13-21(19)29-14)23(28)26-12-15-4-3-5-16(10-15)22(27)24-2/h3-11,13-14H,12H2,1-2H3,(H,24,27)(H,26,28)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...


US Patent US9914740 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM376382
PNG
(N-(3-(ethylcarbamoyl) benzyl)- 6-methyl-6H- isochr...)
Show SMILES CCNC(=O)c1cccc(CNC(=O)c2ccc-3c(c2)C(C)Oc2cnccc-32)c1
Show InChI InChI=1/C24H23N3O3/c1-3-26-23(28)17-6-4-5-16(11-17)13-27-24(29)18-7-8-19-20-9-10-25-14-22(20)30-15(2)21(19)12-18/h4-12,14-15H,3,13H2,1-2H3,(H,26,28)(H,27,29)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...


US Patent US9914740 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM376379
PNG
(3-((6-methyl-6H-isochromeno [3,4-c]pyridine-8-carb...)
Show SMILES CC1Oc2cnccc2-c2ccc(cc12)C(=O)NCc1cccc(c1)C(O)=O
Show InChI InChI=1/C22H18N2O4/c1-13-19-10-15(5-6-17(19)18-7-8-23-12-20(18)28-13)21(25)24-11-14-3-2-4-16(9-14)22(26)27/h2-10,12-13H,11H2,1H3,(H,24,25)(H,26,27)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...


US Patent US9914740 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM376387
PNG
(N-(3-(cyclopropylcarbamoyl) benzyl)-6-methyl- 6H-i...)
Show SMILES CC1Oc2cnccc2-c2ccc(cc12)C(=O)NCc1cccc(c1)C(=O)NC1CC1
Show InChI InChI=1/C25H23N3O3/c1-15-22-12-18(5-8-20(22)21-9-10-26-14-23(21)31-15)24(29)27-13-16-3-2-4-17(11-16)25(30)28-19-6-7-19/h2-5,8-12,14-15,19H,6-7,13H2,1H3,(H,27,29)(H,28,30)
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n/an/a 0.850n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...


US Patent US9914740 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM376499
PNG
((R)-1-fluoro-N-(1-(3- methoxyphenyl)ethyl)-9H- pyr...)
Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc2c(c1)[nH]c1c(F)nccc21
Show InChI InChI=1/C21H18FN3O2/c1-12(13-4-3-5-15(10-13)27-2)24-21(26)14-6-7-16-17-8-9-23-20(22)19(17)25-18(16)11-14/h3-12,25H,1-2H3,(H,24,26)/t12-/s2
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n/an/a 1.01n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...


US Patent US9914740 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM376351
PNG
(US9914740, VI-1)
Show SMILES C[C@@H](NC(=O)c1ccc-2c(COc3cnccc-23)c1)c1ccccc1
Show InChI InChI=1S/C21H18N2O2/c1-14(15-5-3-2-4-6-15)23-21(24)16-7-8-18-17(11-16)13-25-20-12-22-10-9-19(18)20/h2-12,14H,13H2,1H3,(H,23,24)/t14-/m1/s1
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n/an/a 1.05n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...


US Patent US9914740 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM376373
PNG
((R)-N-(3- (pyrrolidin-2- ylmethyl- carbamoyl) benz...)
Show SMILES O=C(NC[C@H]1CCCN1)c1cccc(CNC(=O)c2ccc-3c(COc4cnccc-34)c2)c1
Show InChI InChI=1S/C26H26N4O3/c31-25(30-14-21-5-2-9-28-21)18-4-1-3-17(11-18)13-29-26(32)19-6-7-22-20(12-19)16-33-24-15-27-10-8-23(22)24/h1,3-4,6-8,10-12,15,21,28H,2,5,9,13-14,16H2,(H,29,32)(H,30,31)/t21-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...


US Patent US9914740 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM376509
PNG
(N-(3-cyanobenzyl)-1- fluoro-9H-pyrido[3,4-b] indol...)
Show SMILES Fc1nccc2c3ccc(cc3[nH]c12)C(=O)NCc1cccc(c1)C#N
Show InChI InChI=1S/C20H13FN4O/c21-19-18-16(6-7-23-19)15-5-4-14(9-17(15)25-18)20(26)24-11-13-3-1-2-12(8-13)10-22/h1-9,25H,11H2,(H,24,26)
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n/an/a 1.16n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...


US Patent US9914740 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM376483
PNG
((R)-N-(1-(3- methoxyphenyl)ethyl)-9H- pyrido[3,4-b...)
Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc2c(c1)[nH]c1cnccc21
Show InChI InChI=1/C21H19N3O2/c1-13(14-4-3-5-16(10-14)26-2)23-21(25)15-6-7-17-18-8-9-22-12-20(18)24-19(17)11-15/h3-13,24H,1-2H3,(H,23,25)/t13-/s2
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n/an/a 1.29n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...


US Patent US9914740 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM376363
PNG
(US9914740, VII-1)
Show SMILES COC(=O)c1cccc(CNC(=O)c2ccc-3c(COc4cnccc-34)c2)c1
Show InChI InChI=1S/C22H18N2O4/c1-27-22(26)16-4-2-3-14(9-16)11-24-21(25)15-5-6-18-17(10-15)13-28-20-12-23-8-7-19(18)20/h2-10,12H,11,13H2,1H3,(H,24,25)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...


US Patent US9914740 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM376356
PNG
(N-(3-methoxy- benzyl)-6H- isochromeno[3,4-c] pyrid...)
Show SMILES COc1cccc(CNC(=O)c2ccc-3c(COc4cnccc-34)c2)c1
Show InChI InChI=1S/C21H18N2O3/c1-25-17-4-2-3-14(9-17)11-23-21(24)15-5-6-18-16(10-15)13-26-20-12-22-8-7-19(18)20/h2-10,12H,11,13H2,1H3,(H,23,24)
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n/an/a 1.32n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...


US Patent US9914740 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM376368
PNG
(N-(3-(methyl- carbamoyl) benzyl)-6H- isochromeno [...)
Show SMILES CNC(=O)c1cccc(CNC(=O)c2ccc-3c(COc4cnccc-34)c2)c1
Show InChI InChI=1S/C22H19N3O3/c1-23-21(26)15-4-2-3-14(9-15)11-25-22(27)16-5-6-18-17(10-16)13-28-20-12-24-8-7-19(18)20/h2-10,12H,11,13H2,1H3,(H,23,26)(H,25,27)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...


US Patent US9914740 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM376456
PNG
(N-[(1S)-2-hydroxy-1- phenylethyl]-6,6- dimethyl-6H...)
Show SMILES CC1(C)Oc2cnccc2-c2ccc(cc12)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1/C23H22N2O3/c1-23(2)19-12-16(8-9-17(19)18-10-11-24-13-21(18)28-23)22(27)25-20(14-26)15-6-4-3-5-7-15/h3-13,20,26H,14H2,1-2H3,(H,25,27)/t20-/s2
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n/an/a 1.44n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...


US Patent US9914740 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM376369
PNG
((S)-N-(3-((1- ethylpyrrolidin- 2-yl)methyl- carbam...)
Show SMILES CCN1CCC[C@H]1NC(=O)c1cccc(CNC(=O)c2ccc-3c(COc4cnccc-34)c2)c1
Show InChI InChI=1/C27H28N4O3/c1-2-31-12-4-7-25(31)30-27(33)19-6-3-5-18(13-19)15-29-26(32)20-8-9-22-21(14-20)17-34-24-16-28-11-10-23(22)24/h3,5-6,8-11,13-14,16,25H,2,4,7,12,15,17H2,1H3,(H,29,32)(H,30,33)/t25-/s2
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Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...


US Patent US9914740 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM376393
PNG
(6-ethyl-N-((R)-1-phenylethyl)- 6H-isochromeno[3,4-...)
Show SMILES CCC1Oc2cnccc2-c2ccc(cc12)C(=O)N[C@@H](C)c1ccccc1
Show InChI InChI=1/C23H22N2O2/c1-3-21-20-13-17(23(26)25-15(2)16-7-5-4-6-8-16)9-10-18(20)19-11-12-24-14-22(19)27-21/h4-15,21H,3H2,1-2H3,(H,25,26)/t15-,21?/s2
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Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...


US Patent US9914740 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM376303
PNG
(US9914740, III-3)
Show SMILES CNC(=O)c1cccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c1
Show InChI InChI=1S/C22H19N3O3/c1-23-21(26)15-4-2-3-14(9-15)11-25-22(27)16-5-6-19-18-7-8-24-12-17(18)13-28-20(19)10-16/h2-10,12H,11,13H2,1H3,(H,23,26)(H,25,27)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...


US Patent US9914740 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM376377
PNG
(US9914740, VIII-3 | US9914740, XI-20 | US9914740, ...)
Show SMILES CCC1Oc2cnccc2-c2ccc(cc12)C(=O)NCc1cccc(c1)C(=O)NCC(C)(C)O
Show InChI InChI=1/C27H29N3O4/c1-4-23-22-13-19(8-9-20(22)21-10-11-28-15-24(21)34-23)25(31)29-14-17-6-5-7-18(12-17)26(32)30-16-27(2,3)33/h5-13,15,23,33H,4,14,16H2,1-3H3,(H,29,31)(H,30,32)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...


US Patent US9914740 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM376374
PNG
(N-(4-fluoro-3- (2-hydroxy- 2-methyl- propylcarbamo...)
Show SMILES CC(C)(O)CNC(=O)c1cc(CNC(=O)c2ccc-3c(COc4cnccc-34)c2)ccc1F
Show InChI InChI=1S/C25H24FN3O4/c1-25(2,32)14-29-24(31)20-9-15(3-6-21(20)26)11-28-23(30)16-4-5-18-17(10-16)13-33-22-12-27-8-7-19(18)22/h3-10,12,32H,11,13-14H2,1-2H3,(H,28,30)(H,29,31)
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n/an/a 1.82n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...


US Patent US9914740 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM376377
PNG
(US9914740, VIII-3 | US9914740, XI-20 | US9914740, ...)
Show SMILES CCC1Oc2cnccc2-c2ccc(cc12)C(=O)NCc1cccc(c1)C(=O)NCC(C)(C)O
Show InChI InChI=1/C27H29N3O4/c1-4-23-22-13-19(8-9-20(22)21-10-11-28-15-24(21)34-23)25(31)29-14-17-6-5-7-18(12-17)26(32)30-16-27(2,3)33/h5-13,15,23,33H,4,14,16H2,1-3H3,(H,29,31)(H,30,32)
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n/an/a 1.99n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...


US Patent US9914740 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM376304
PNG
(N-(3- carbamoylbenzyl)- 5H-chromeno[3,4-c] pyridin...)
Show SMILES NC(=O)c1cccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c1
Show InChI InChI=1S/C21H17N3O3/c22-20(25)14-3-1-2-13(8-14)10-24-21(26)15-4-5-18-17-6-7-23-11-16(17)12-27-19(18)9-15/h1-9,11H,10,12H2,(H2,22,25)(H,24,26)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...


US Patent US9914740 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM376365
PNG
(US9914740, VII-3)
Show SMILES CC(C)(O)CNC(=O)c1cccc(CNC(=O)c2ccc-3c(COc4cnccc-34)c2)c1
Show InChI InChI=1S/C25H25N3O4/c1-25(2,31)15-28-24(30)17-5-3-4-16(10-17)12-27-23(29)18-6-7-20-19(11-18)14-32-22-13-26-9-8-21(20)22/h3-11,13,31H,12,14-15H2,1-2H3,(H,27,29)(H,28,30)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...


US Patent US9914740 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM376488
PNG
((R)-N-(1-(3- methoxyphenyl)ethyl)-9- methyl-9H-pyr...)
Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc2c(c1)n(C)c1cnccc21
Show InChI InChI=1/C22H21N3O2/c1-14(15-5-4-6-17(11-15)27-3)24-22(26)16-7-8-18-19-9-10-23-13-21(19)25(2)20(18)12-16/h4-14H,1-3H3,(H,24,26)/t14-/s2
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Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...


US Patent US9914740 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM376414
PNG
((R)-N-(1-(3- methoxyphenyl)ethyl)- 6H-isochromeno ...)
Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc-2c(COc3cncnc-23)c1
Show InChI InChI=1S/C21H19N3O3/c1-13(14-4-3-5-17(9-14)26-2)24-21(25)15-6-7-18-16(8-15)11-27-19-10-22-12-23-20(18)19/h3-10,12-13H,11H2,1-2H3,(H,24,25)/t13-/m1/s1
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n/an/a 2.39n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...


US Patent US9914740 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM376301
PNG
(US9914740, III-1)
Show SMILES COC(=O)c1cccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c1
Show InChI InChI=1S/C22H18N2O4/c1-27-22(26)16-4-2-3-14(9-16)11-24-21(25)15-5-6-19-18-7-8-23-12-17(18)13-28-20(19)10-15/h2-10,12H,11,13H2,1H3,(H,24,25)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...


US Patent US9914740 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM376385
PNG
(N-((R)-1-(4-fluorophenyl) ethyl)-6-methyl-6H- isoc...)
Show SMILES C[C@@H](NC(=O)c1ccc-2c(c1)C(C)Oc1cnccc-21)c1ccc(F)cc1
Show InChI InChI=1S/C22H19FN2O2/c1-13(15-3-6-17(23)7-4-15)25-22(26)16-5-8-18-19-9-10-24-12-21(19)27-14(2)20(18)11-16/h3-14H,1-2H3,(H,25,26)/t13-,14?/m1/s1
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n/an/a 2.54n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...


US Patent US9914740 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM376305
PNG
(N-(3- (ethylcarbamoyl) benzyl)-5H- chromeno[3,4-c]...)
Show SMILES CCNC(=O)c1cccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c1
Show InChI InChI=1S/C23H21N3O3/c1-2-25-22(27)16-5-3-4-15(10-16)12-26-23(28)17-6-7-20-19-8-9-24-13-18(19)14-29-21(20)11-17/h3-11,13H,2,12,14H2,1H3,(H,25,27)(H,26,28)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...


US Patent US9914740 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM376370
PNG
(US9914740, VII-8 | methyl 5-((6H- isochromeno [3,4...)
Show SMILES COC(=O)c1cc(CNC(=O)c2ccc-3c(COc4cnccc-34)c2)ccc1F
Show InChI InChI=1S/C22H17FN2O4/c1-28-22(27)18-8-13(2-5-19(18)23)10-25-21(26)14-3-4-16-15(9-14)12-29-20-11-24-7-6-17(16)20/h2-9,11H,10,12H2,1H3,(H,25,26)
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n/an/a 2.54n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...


US Patent US9914740 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM376383
PNG
(N-(3-(cyclopropyl- methylcarbamoyl) benzyl)-6-meth...)
Show SMILES CC1Oc2cnccc2-c2ccc(cc12)C(=O)NCc1cccc(c1)C(=O)N(C)C1CC1
Show InChI InChI=1/C26H25N3O3/c1-16-23-13-18(6-9-21(23)22-10-11-27-15-24(22)32-16)25(30)28-14-17-4-3-5-19(12-17)26(31)29(2)20-7-8-20/h3-6,9-13,15-16,20H,7-8,14H2,1-2H3,(H,28,30)
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UniChem
US Patent
n/an/a 2.55n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...


US Patent US9914740 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM376313
PNG
(N-(3- (cyclopropyl carbamoyl) benzyl)-5H-chromeno ...)
Show SMILES O=C(NCc1cccc(c1)C(=O)NC1CC1)c1ccc-2c(OCc3cnccc-23)c1
Show InChI InChI=1S/C24H21N3O3/c28-23(26-12-15-2-1-3-16(10-15)24(29)27-19-5-6-19)17-4-7-21-20-8-9-25-13-18(20)14-30-22(21)11-17/h1-4,7-11,13,19H,5-6,12,14H2,(H,26,28)(H,27,29)
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US Patent
n/an/a 2.58n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...


US Patent US9914740 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM376515
PNG
((R)-N-(1-(3- methoxyphenyl)ethyl)-4- methyl-9H-pyr...)
Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc2c(c1)oc1c(nccc21)C(F)F
Show InChI InChI=1/C22H18F2N2O3/c1-12(13-4-3-5-15(10-13)28-2)26-22(27)14-6-7-16-17-8-9-25-19(21(23)24)20(17)29-18(16)11-14/h3-12,21H,1-2H3,(H,26,27)/t12-/s2
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n/an/a 2.66n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...


US Patent US9914740 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM376424
PNG
((R)-6-(2-(Dimethylamino)ethyl)-N-(1-(3-methoxyphen...)
Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc2c(c1)n(CCN(C)C)c(=O)c1cnccc21
Show InChI InChI=1/C26H28N4O3/c1-17(18-6-5-7-20(14-18)33-4)28-25(31)19-8-9-22-21-10-11-27-16-23(21)26(32)30(24(22)15-19)13-12-29(2)3/h5-11,14-17H,12-13H2,1-4H3,(H,28,31)/t17-/s2
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n/an/a 2.71n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...


US Patent US9914740 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM376352
PNG
(US9914740, VI-2)
Show SMILES NC[C@@H](NC(=O)c1ccc-2c(COc3cnccc-23)c1)c1ccccc1
Show InChI InChI=1S/C21H19N3O2/c22-11-19(14-4-2-1-3-5-14)24-21(25)15-6-7-17-16(10-15)13-26-20-12-23-9-8-18(17)20/h1-10,12,19H,11,13,22H2,(H,24,25)/t19-/m1/s1
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n/an/a 2.78n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...


US Patent US9914740 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM376355
PNG
((R)-N-(1-(2- chlorophenyl) ethyl)-6H- isochromeno[...)
Show SMILES C[C@@H](NC(=O)c1ccc-2c(COc3cnccc-23)c1)c1ccccc1Cl
Show InChI InChI=1S/C21H17ClN2O2/c1-13(16-4-2-3-5-19(16)22)24-21(25)14-6-7-17-15(10-14)12-26-20-11-23-9-8-18(17)20/h2-11,13H,12H2,1H3,(H,24,25)/t13-/m1/s1
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n/an/a 2.80n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...


US Patent US9914740 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM376517
PNG
((R)-N-(1-(3- methoxyphenyl) ethyl) benzofuro[2,3-c...)
Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc2c(c1)oc1cnccc21
Show InChI InChI=1/C21H18N2O3/c1-13(14-4-3-5-16(10-14)25-2)23-21(24)15-6-7-17-18-8-9-22-12-20(18)26-19(17)11-15/h3-13H,1-2H3,(H,23,24)/t13-/s2
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n/an/a 2.85n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...


US Patent US9914740 (2018)

More data for this
Ligand-Target Pair
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