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Patent code US10787450

Compile Data Set for Download or QSAR

Found 255 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM464274
PNG
(3-(6-ethyl-5-(1H- pyrazol-4-yl)pyridin- 2-yl)-1-(3...)
Show SMILES CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC(C)(C)O)CC2)N(Cc2cc(F)cc(OC)c2)C1=O
Show InChI InChI=1S/C29H37FN6O3/c1-5-25-24(21-15-31-32-16-21)6-7-26(33-25)35-19-29(8-10-34(11-9-29)18-28(2,3)38)36(27(35)37)17-20-12-22(30)14-23(13-20)39-4/h6-7,12-16,38H,5,8-11,17-19H2,1-4H3,(H,31,32)
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n/an/a<3n/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 US10787450 (2020)

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


(Homo sapiens (Human))
BDBM464275
PNG
(3-(6-ethyl-5-(1H- pyrazol-4-yl)pyridin- 2-yl)-1-(3...)
Show SMILES CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC(C)O)CC2)N(Cc2cccc(F)c2C)C1=O
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n/an/a<3n/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 US10787450 (2020)

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


(Homo sapiens (Human))
BDBM464288
PNG
(2-(3-(4-(1H-pyrazol- 4-yl)phenyl)-1-(3- methoxyben...)
Show SMILES COc1cccc(CN2C(=O)N(CC22CCN(CC(=O)N(C)C)CC2)c2ccc(cc2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C28H34N6O3/c1-31(2)26(35)19-32-13-11-28(12-14-32)20-33(24-9-7-22(8-10-24)23-16-29-30-17-23)27(36)34(28)18-21-5-4-6-25(15-21)37-3/h4-10,15-17H,11-14,18-20H2,1-3H3,(H,29,30)
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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 US10787450 (2020)

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


(Homo sapiens (Human))
BDBM464324
PNG
(3-(6-ethyl-5-(1H- pyrazol-4-yl)pyridin- 2-yl)-8-(2...)
Show SMILES CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(=O)COC)N(Cc2cccc(OC)c2)C1=O
Show InChI InChI=1S/C28H34N6O4/c1-4-24-23(21-15-29-30-16-21)8-9-25(31-24)33-19-28(10-12-32(13-11-28)26(35)18-37-2)34(27(33)36)17-20-6-5-7-22(14-20)38-3/h5-9,14-16H,4,10-13,17-19H2,1-3H3,(H,29,30)
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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 US10787450 (2020)

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


(Homo sapiens (Human))
BDBM464328
PNG
(8-(2- (dimethylamino) acetyl)-3-(4-methoxy-5- (1H-...)
Show SMILES COc1cccc(CN2C(=O)N(CC22CCN(CC2)C(=O)CN(C)C)c2ncc(-c3cn[nH]c3)c(OC)n2)c1
Show InChI InChI=1S/C27H34N8O4/c1-32(2)17-23(36)33-10-8-27(9-11-33)18-34(26(37)35(27)16-19-6-5-7-21(12-19)38-3)25-28-15-22(24(31-25)39-4)20-13-29-30-14-20/h5-7,12-15H,8-11,16-18H2,1-4H3,(H,29,30)
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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 US10787450 (2020)

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


(Homo sapiens (Human))
BDBM464345
PNG
(1-(3-fluoro-2- methylbenzyl)-3-(6- methoxy-5-(1H- ...)
Show SMILES COc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(=O)CCN2CCCC2=O)N(Cc2cccc(F)c2C)C1=O
Show InChI InChI=1S/C31H36FN7O4/c1-21-22(5-3-6-25(21)32)19-39-30(42)38(26-9-8-24(29(35-26)43-2)23-17-33-34-18-23)20-31(39)11-15-37(16-12-31)28(41)10-14-36-13-4-7-27(36)40/h3,5-6,8-9,17-18H,4,7,10-16,19-20H2,1-2H3,(H,33,34)
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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 US10787450 (2020)

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


(Homo sapiens (Human))
BDBM464346
PNG
(1-(3-fluoro-2- methylbenzyl)-8-(3- hydroxy-2,2- di...)
Show SMILES COc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(=O)C(C)(C)CO)N(Cc2cccc(F)c2C)C1=O
Show InChI InChI=1S/C29H35FN6O4/c1-19-20(6-5-7-23(19)30)16-36-27(39)35(24-9-8-22(25(33-24)40-4)21-14-31-32-15-21)17-29(36)10-12-34(13-11-29)26(38)28(2,3)18-37/h5-9,14-15,37H,10-13,16-18H2,1-4H3,(H,31,32)
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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 US10787450 (2020)

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


(Homo sapiens (Human))
BDBM464351
PNG
(3-(4-(1H- pyrazol-4- yl)phenyl)-1-(3- methoxy- ben...)
Show SMILES COc1cccc(CN2C(=O)N(CC22CCN(CC3CCOCC3)CC2)c2ccc(cc2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C30H37N5O3/c1-37-28-4-2-3-24(17-28)21-35-29(36)34(27-7-5-25(6-8-27)26-18-31-32-19-26)22-30(35)11-13-33(14-12-30)20-23-9-15-38-16-10-23/h2-8,17-19,23H,9-16,20-22H2,1H3,(H,31,32)
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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 US10787450 (2020)

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


(Homo sapiens (Human))
BDBM464357
PNG
(1-(3-fluoro-2- methyl- benzyl)-3-(6- methoxy-5- (1...)
Show SMILES COc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C2COC2)N(Cc2cccc(F)c2C)C1=O
Show InChI InChI=1S/C27H31FN6O3/c1-18-19(4-3-5-23(18)28)14-34-26(35)33(17-27(34)8-10-32(11-9-27)21-15-37-16-21)24-7-6-22(25(31-24)36-2)20-12-29-30-13-20/h3-7,12-13,21H,8-11,14-17H2,1-2H3,(H,29,30)
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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 US10787450 (2020)

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


(Homo sapiens (Human))
BDBM464255
PNG
(3-(6-methoxy-5-(1H- pyrazol-4-yl)pyridin- 2-yl)-1-...)
Show SMILES COc1cccc(CN2C(=O)N(CC22CCN(CCC(F)(F)F)CC2)c2ccc(-c3cn[nH]c3)c(OC)n2)c1
Show InChI InChI=1S/C27H31F3N6O3/c1-38-21-5-3-4-19(14-21)17-36-25(37)35(18-26(36)8-11-34(12-9-26)13-10-27(28,29)30)23-7-6-22(24(33-23)39-2)20-15-31-32-16-20/h3-7,14-16H,8-13,17-18H2,1-2H3,(H,31,32)
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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 US10787450 (2020)

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


(Homo sapiens (Human))
BDBM464263
PNG
(3-(4-(1H-pyrazol-4- yl)phenyl)-1-(3- fluoro-5- met...)
Show SMILES COc1cc(F)cc(CN2C(=O)N(CC22CCN(CCO)CC2)c2ccc(cc2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C26H30FN5O3/c1-35-24-13-19(12-22(27)14-24)17-32-25(34)31(18-26(32)6-8-30(9-7-26)10-11-33)23-4-2-20(3-5-23)21-15-28-29-16-21/h2-5,12-16,33H,6-11,17-18H2,1H3,(H,28,29)
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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 US10787450 (2020)

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


(Homo sapiens (Human))
BDBM464265
PNG
(8-(2-hydroxyethyl)-3- (6-methoxy-5-(1H- pyrazol-4-...)
Show SMILES COc1cccc(CN2C(=O)N(CC22CCN(CCO)CC2)c2ccc(-c3cn[nH]c3)c(OC)n2)c1
Show InChI InChI=1S/C26H32N6O4/c1-35-21-5-3-4-19(14-21)17-32-25(34)31(18-26(32)8-10-30(11-9-26)12-13-33)23-7-6-22(24(29-23)36-2)20-15-27-28-16-20/h3-7,14-16,33H,8-13,17-18H2,1-2H3,(H,27,28)
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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 US10787450 (2020)

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


(Homo sapiens (Human))
BDBM464273
PNG
(3-(6-ethyl-5-(1H- pyrazol-4-yl)pyridin- 2-yl)-1-(3...)
Show SMILES CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC(C)O)CC2)N(Cc2cc(F)cc(OC)c2)C1=O
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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 US10787450 (2020)

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


(Homo sapiens (Human))
BDBM464290
PNG
(3-(4-(1H-pyrazol-4- yl)phenyl)-8- (cyclobutanecarb...)
Show SMILES COc1cccc(CN2C(=O)N(CC22CCN(CC2)C(=O)C2CCC2)c2ccc(cc2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C29H33N5O3/c1-37-26-7-2-4-21(16-26)19-34-28(36)33(25-10-8-22(9-11-25)24-17-30-31-18-24)20-29(34)12-14-32(15-13-29)27(35)23-5-3-6-23/h2,4,7-11,16-18,23H,3,5-6,12-15,19-20H2,1H3,(H,30,31)
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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 US10787450 (2020)

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


(Homo sapiens (Human))
BDBM464293
PNG
(3-(4-(1H-pyrazol-4- yl)phenyl)-8-(3,3- difluorocyc...)
Show SMILES COc1cccc(CN2C(=O)N(CC22CCN(CC2)C(=O)C2CCC(F)(F)C2)c2ccc(cc2)-c2cn[nH]c2)c1
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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 US10787450 (2020)

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


(Homo sapiens (Human))
BDBM464305
PNG
(3-(6-ethyl-5-(1H- pyrazol-4-yl)pyridin- 2-yl)-1-(3...)
Show SMILES CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(=O)C(C)(C)O)N(Cc2cc(F)cc(OC)c2)C1=O
Show InChI InChI=1S/C29H35FN6O4/c1-5-24-23(20-15-31-32-16-20)6-7-25(33-24)35-18-29(8-10-34(11-9-29)26(37)28(2,3)39)36(27(35)38)17-19-12-21(30)14-22(13-19)40-4/h6-7,12-16,39H,5,8-11,17-18H2,1-4H3,(H,31,32)
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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 US10787450 (2020)

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


(Homo sapiens (Human))
BDBM464306
PNG
(3-(6-ethyl-5-(1H- pyrazol-4-yl)pyridin- 2-yl)-1-(3...)
Show SMILES CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(=O)C(C)O)N(Cc2cc(F)cc(OC)c2)C1=O
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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 US10787450 (2020)

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


(Homo sapiens (Human))
BDBM464318
PNG
(3-(6-ethyl-5-(1H- pyrazol-4-yl)pyridin- 2-yl)-1-(3...)
Show SMILES CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(=O)CC(C)C)N(Cc2cccc(OC)c2)C1=O
Show InChI InChI=1S/C30H38N6O3/c1-5-26-25(23-17-31-32-18-23)9-10-27(33-26)35-20-30(11-13-34(14-12-30)28(37)15-21(2)3)36(29(35)38)19-22-7-6-8-24(16-22)39-4/h6-10,16-18,21H,5,11-15,19-20H2,1-4H3,(H,31,32)
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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 US10787450 (2020)

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


(Homo sapiens (Human))
BDBM464321
PNG
(8-(2- (dimethylamino) acetyl)-3-(6-ethyl-5-(1H- py...)
Show SMILES CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(=O)CN(C)C)N(Cc2cccc(OC)c2)C1=O
Show InChI InChI=1S/C29H37N7O3/c1-5-25-24(22-16-30-31-17-22)9-10-26(32-25)35-20-29(11-13-34(14-12-29)27(37)19-33(2)3)36(28(35)38)18-21-7-6-8-23(15-21)39-4/h6-10,15-17H,5,11-14,18-20H2,1-4H3,(H,30,31)
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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 US10787450 (2020)

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


(Homo sapiens (Human))
BDBM464325
PNG
(3-(6-ethyl-5-(1H- pyrazol-4-yl)pyridin- 2-yl)-1-(3...)
Show SMILES CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(=O)C2CCCO2)N(Cc2cccc(OC)c2)C1=O
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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 US10787450 (2020)

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


(Homo sapiens (Human))
BDBM464336
PNG
(8-(2- (dimethylamino) acetyl)-3-(6-methoxy-5- (1H-...)
Show SMILES COc1cccc(CN2C(=O)N(CC22CCN(CC2)C(=O)CN(C)C)c2ccc(-c3cn[nH]c3)c(OC)n2)c1
Show InChI InChI=1S/C28H35N7O4/c1-32(2)18-25(36)33-12-10-28(11-13-33)19-34(27(37)35(28)17-20-6-5-7-22(14-20)38-3)24-9-8-23(26(31-24)39-4)21-15-29-30-16-21/h5-9,14-16H,10-13,17-19H2,1-4H3,(H,29,30)
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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 US10787450 (2020)

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


(Homo sapiens (Human))
BDBM464338
PNG
(8-(2-hydroxyacetyl)- 3-(6-methoxy-5-(1H- pyrazol-4...)
Show SMILES COc1cccc(CN2C(=O)N(CC22CCN(CC2)C(=O)CO)c2ccc(-c3cn[nH]c3)c(OC)n2)c1
Show InChI InChI=1S/C26H30N6O5/c1-36-20-5-3-4-18(12-20)15-32-25(35)31(17-26(32)8-10-30(11-9-26)23(34)16-33)22-7-6-21(24(29-22)37-2)19-13-27-28-14-19/h3-7,12-14,33H,8-11,15-17H2,1-2H3,(H,27,28)
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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 US10787450 (2020)

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


(Homo sapiens (Human))
BDBM464344
PNG
(1-(3-fluoro-2- methylbenzyl)-3-(6- methoxy-5-(1H- ...)
Show SMILES COCC(=O)N1CCC2(CN(C(=O)N2Cc2cccc(F)c2C)c2ccc(-c3cn[nH]c3)c(OC)n2)CC1
Show InChI InChI=1S/C27H31FN6O4/c1-18-19(5-4-6-22(18)28)15-34-26(36)33(17-27(34)9-11-32(12-10-27)24(35)16-37-2)23-8-7-21(25(31-23)38-3)20-13-29-30-14-20/h4-8,13-14H,9-12,15-17H2,1-3H3,(H,29,30)
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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 US10787450 (2020)

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


(Homo sapiens (Human))
BDBM464352
PNG
(3-(4-(1H-pyrazol-4-yl)phenyl)-1-(3-methoxybenzyl)-...)
Show SMILES COc1cccc(CN2C(=O)N(CC22CCN(CC2)S(C)(=O)=O)c2ccc(Br)cc2)c1
Show InChI InChI=1S/C22H26BrN3O4S/c1-30-20-5-3-4-17(14-20)15-26-21(27)25(19-8-6-18(23)7-9-19)16-22(26)10-12-24(13-11-22)31(2,28)29/h3-9,14H,10-13,15-16H2,1-2H3
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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 US10787450 (2020)

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


(Homo sapiens (Human))
BDBM464354
PNG
(3-(4-(1H- pyrazol-4- yl)phenyl)- 1-(3- fluoro-5- m...)
Show SMILES COc1cc(F)cc(CN2C(=O)N(CC22CCN(CC2)C2COC2)c2ccc(cc2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C27H30FN5O3/c1-35-25-11-19(10-22(28)12-25)15-33-26(34)32(23-4-2-20(3-5-23)21-13-29-30-14-21)18-27(33)6-8-31(9-7-27)24-16-36-17-24/h2-5,10-14,24H,6-9,15-18H2,1H3,(H,29,30)
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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 US10787450 (2020)

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


(Homo sapiens (Human))
BDBM464356
PNG
(3-(6-methoxy- 5-(1H- pyrazol-4- yl)pyridin- 2-yl)-...)
Show SMILES COc1cccc(CN2C(=O)N(CC22CCN(CC2)C2COC2)c2ccc(-c3cn[nH]c3)c(OC)n2)c1
Show InChI InChI=1S/C27H32N6O4/c1-35-22-5-3-4-19(12-22)15-33-26(34)32(18-27(33)8-10-31(11-9-27)21-16-37-17-21)24-7-6-23(25(30-24)36-2)20-13-28-29-14-20/h3-7,12-14,21H,8-11,15-18H2,1-2H3,(H,28,29)
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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 US10787450 (2020)

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


(Homo sapiens (Human))
BDBM464147
PNG
(3-(4-(1H-pyrazol-4- yl)phenyl)-1-(3- fluoro-2- met...)
Show SMILES Cc1c(F)cccc1CN1C(=O)N(CC11CCOCC1)c1ccc(cc1)-c1cn[nH]c1
Show InChI InChI=1S/C24H25FN4O2/c1-17-19(3-2-4-22(17)25)15-29-23(30)28(16-24(29)9-11-31-12-10-24)21-7-5-18(6-8-21)20-13-26-27-14-20/h2-8,13-14H,9-12,15-16H2,1H3,(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 US10787450 (2020)

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


(Homo sapiens (Human))
BDBM464157
PNG
(3-((3-(4-(1H-pyrazol- 4-yl)phenyl)-2-oxo-8- oxa-1,...)
Show SMILES CC(C)CNC(=O)c1cccc(CN2C(=O)N(CC22CCOCC2)c2ccc(cc2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C28H33N5O3/c1-20(2)15-29-26(34)23-5-3-4-21(14-23)18-33-27(35)32(19-28(33)10-12-36-13-11-28)25-8-6-22(7-9-25)24-16-30-31-17-24/h3-9,14,16-17,20H,10-13,15,18-19H2,1-2H3,(H,29,34)(H,30,31)
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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 US10787450 (2020)

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


(Homo sapiens (Human))
BDBM464204
PNG
(3-(5-(1H-pyrazol-4-yl)pyridin-2-yl)-8- acetyl-1-(3...)
Show SMILES COc1cccc(CN2C(=O)N(CC22CCN(CC2)C(C)=O)c2ccc(cn2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C25H28N6O3/c1-18(32)29-10-8-25(9-11-29)17-30(23-7-6-20(13-26-23)21-14-27-28-15-21)24(33)31(25)16-19-4-3-5-22(12-19)34-2/h3-7,12-15H,8-11,16-17H2,1-2H3,(H,27,28)
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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 US10787450 (2020)

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


(Homo sapiens (Human))
BDBM464215
PNG
(US10787450, Example 95 | isobutyl 3-(4-(1H- pyrazo...)
Show SMILES COc1cccc(CN2C(=O)N(CC22CCN(CC2)C(=O)OCC(C)C)c2ccc(cc2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C29H35N5O4/c1-21(2)19-38-28(36)32-13-11-29(12-14-32)20-33(25-9-7-23(8-10-25)24-16-30-31-17-24)27(35)34(29)18-22-5-4-6-26(15-22)37-3/h4-10,15-17,21H,11-14,18-20H2,1-3H3,(H,30,31)
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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 US10787450 (2020)

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


(Homo sapiens (Human))
BDBM464240
PNG
(3-(4-(1H-pyrazol-4- yl)phenyl)-1-(3- methoxybenzyl...)
Show SMILES COc1cccc(CN2C(=O)N(CC22CCN(CCC(F)(F)F)CC2)c2ccc(cc2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C27H30F3N5O2/c1-37-24-4-2-3-20(15-24)18-35-25(36)34(23-7-5-21(6-8-23)22-16-31-32-17-22)19-26(35)9-12-33(13-10-26)14-11-27(28,29)30/h2-8,15-17H,9-14,18-19H2,1H3,(H,31,32)
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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 US10787450 (2020)

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


(Homo sapiens (Human))
BDBM464250
PNG
(3-(4-(1H-pyrazol-4- yl)phenyl)-8-(2,2- difluoroeth...)
Show SMILES Cc1c(F)cccc1CN1C(=O)N(CC11CCN(CC(F)F)CC1)c1ccc(cc1)-c1cn[nH]c1
Show InChI InChI=1S/C26H28F3N5O/c1-18-20(3-2-4-23(18)27)15-34-25(35)33(17-26(34)9-11-32(12-10-26)16-24(28)29)22-7-5-19(6-8-22)21-13-30-31-14-21/h2-8,13-14,24H,9-12,15-17H2,1H3,(H,30,31)
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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 US10787450 (2020)

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


(Homo sapiens (Human))
BDBM464258
PNG
(Example 140 | US10787450, Example 139)
Show SMILES COc1cccc(CN2C(=O)N(CC22CCN(C[C@@H](C)O)CC2)c2ccc(Br)cc2)c1
Show InChI InChI=1S/C24H30BrN3O3/c1-18(29)15-26-12-10-24(11-13-26)17-27(21-8-6-20(25)7-9-21)23(30)28(24)16-19-4-3-5-22(14-19)31-2/h3-9,14,18,29H,10-13,15-17H2,1-2H3/t18-/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 US10787450 (2020)

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


(Homo sapiens (Human))
BDBM464259
PNG
(US10787450, Example 140)
Show SMILES COc1cccc(CN2C(=O)N(CC22CCN(C[C@H](C)O)CC2)c2ccc(Br)cc2)c1
Show InChI InChI=1S/C24H30BrN3O3/c1-18(29)15-26-12-10-24(11-13-26)17-27(21-8-6-20(25)7-9-21)23(30)28(24)16-19-4-3-5-22(14-19)31-2/h3-9,14,18,29H,10-13,15-17H2,1-2H3/t18-/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 US10787450 (2020)

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


(Homo sapiens (Human))
BDBM464264
PNG
(3-(4-(1H-pyrazol-4- yl)phenyl)-8-(2- hydroxyethyl)...)
Show SMILES COc1cccc(CN2C(=O)N(CC22CC[N+]([O-])(CCO)CC2)c2ccc(cc2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C26H31N5O4/c1-35-24-4-2-3-20(15-24)18-30-25(33)29(19-26(30)9-11-31(34,12-10-26)13-14-32)23-7-5-21(6-8-23)22-16-27-28-17-22/h2-8,15-17,32H,9-14,18-19H2,1H3,(H,27,28)
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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 US10787450 (2020)

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


(Homo sapiens (Human))
BDBM464266
PNG
(8-(2-hydroxypropyl)- 3-(6-methoxy-5-(1H- pyrazol-4...)
Show SMILES COc1cccc(CN2C(=O)N(CC22CCN(CC(C)O)CC2)c2ccc(-c3cn[nH]c3)c(OC)n2)c1
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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 US10787450 (2020)

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


(Homo sapiens (Human))
BDBM464270
PNG
(3-(6-ethyl-5-(1H- pyrazol-4-yl)pyridin- 2-yl)-8-(2...)
Show SMILES CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC(C)O)CC2)N(Cc2cccc(OC)c2)C1=O
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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 US10787450 (2020)

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


(Homo sapiens (Human))
BDBM464272
PNG
(3-(6-ethyl-5-(1H- pyrazol-4-yl)pyridin- 2-yl)-1-(3...)
Show SMILES CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CCO)CC2)N(Cc2cc(F)cc(OC)c2)C1=O
Show InChI InChI=1S/C27H33FN6O3/c1-3-24-23(20-15-29-30-16-20)4-5-25(31-24)33-18-27(6-8-32(9-7-27)10-11-35)34(26(33)36)17-19-12-21(28)14-22(13-19)37-2/h4-5,12-16,35H,3,6-11,17-18H2,1-2H3,(H,29,30)
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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 US10787450 (2020)

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


(Homo sapiens (Human))
BDBM464299
PNG
(3-(6-ethyl-5-(1H- pyrazol-4-yl)pyridin- 2-yl)-1-(3...)
Show SMILES CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(=O)CO)N(Cc2cccc(F)c2C)C1=O
Show InChI InChI=1S/C27H31FN6O3/c1-3-23-21(20-13-29-30-14-20)7-8-24(31-23)33-17-27(9-11-32(12-10-27)25(36)16-35)34(26(33)37)15-19-5-4-6-22(28)18(19)2/h4-8,13-14,35H,3,9-12,15-17H2,1-2H3,(H,29,30)
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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 US10787450 (2020)

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


(Homo sapiens (Human))
BDBM464320
PNG
(8-(3,3- difluorocyclobutane- carbonyl)-3-(6-ethyl-...)
Show SMILES CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(=O)C2CC(F)(F)C2)N(Cc2cccc(OC)c2)C1=O
Show InChI InChI=1S/C30H34F2N6O3/c1-3-25-24(22-16-33-34-17-22)7-8-26(35-25)37-19-29(38(28(37)40)18-20-5-4-6-23(13-20)41-2)9-11-36(12-10-29)27(39)21-14-30(31,32)15-21/h4-8,13,16-17,21H,3,9-12,14-15,18-19H2,1-2H3,(H,33,34)
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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 US10787450 (2020)

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


(Homo sapiens (Human))
BDBM464322
PNG
(3-(6-ethyl-5-(1H- pyrazol-4-yl)pyridin- 2-yl)-8-(3...)
Show SMILES CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(=O)C(C)(C)CO)N(Cc2cccc(OC)c2)C1=O
Show InChI InChI=1S/C30H38N6O4/c1-5-25-24(22-16-31-32-17-22)9-10-26(33-25)35-19-30(11-13-34(14-12-30)27(38)29(2,3)20-37)36(28(35)39)18-21-7-6-8-23(15-21)40-4/h6-10,15-17,37H,5,11-14,18-20H2,1-4H3,(H,31,32)
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n/an/a<3n/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 US10787450 (2020)

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


(Homo sapiens (Human))
BDBM464343
PNG
(8-(2- (dimethylamino) acetyl)-1-(3-fluoro-2- methy...)
Show SMILES COc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(=O)CN(C)C)N(Cc2cccc(F)c2C)C1=O
Show InChI InChI=1S/C28H34FN7O3/c1-19-20(6-5-7-23(19)29)16-36-27(38)35(18-28(36)10-12-34(13-11-28)25(37)17-33(2)3)24-9-8-22(26(32-24)39-4)21-14-30-31-15-21/h5-9,14-15H,10-13,16-18H2,1-4H3,(H,30,31)
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n/an/a<3n/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 US10787450 (2020)

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


(Homo sapiens (Human))
BDBM464162
PNG
(3-((3-(4-(1H-pyrazol- 4-yl)phenyl)-2-oxo-8- oxa-1,...)
Show SMILES O=C(NC1CCOC1)c1cccc(CN2C(=O)N(CC22CCOCC2)c2ccc(cc2)-c2cn[nH]c2)c1
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n/an/a<3n/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 US10787450 (2020)

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


(Homo sapiens (Human))
BDBM464180
PNG
(3-(4-(1H-pyrazol-4-yl)phenyl)- 1-(3-fluoro-5-metho...)
Show SMILES COc1cc(F)cc(CN2C(=O)N(CC22CCNCC2)c2ccc(cc2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C24H26FN5O2/c1-32-22-11-17(10-20(25)12-22)15-30-23(31)29(16-24(30)6-8-26-9-7-24)21-4-2-18(3-5-21)19-13-27-28-14-19/h2-5,10-14,26H,6-9,15-16H2,1H3,(H,27,28)
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n/an/a<3n/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 US10787450 (2020)

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


(Homo sapiens (Human))
BDBM464206
PNG
(8-acetyl-1-(3-fluoro-2-methylbenzyl)-3- (6-methoxy...)
Show SMILES COc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(C)=O)N(Cc2cccc(F)c2C)C1=O
Show InChI InChI=1S/C26H29FN6O3/c1-17-19(5-4-6-22(17)27)15-33-25(35)32(16-26(33)9-11-31(12-10-26)18(2)34)23-8-7-21(24(30-23)36-3)20-13-28-29-14-20/h4-8,13-14H,9-12,15-16H2,1-3H3,(H,28,29)
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n/an/a<3n/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 US10787450 (2020)

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


(Homo sapiens (Human))
BDBM464209
PNG
(8-acetyl-3-(6-ethyl-5-(1H-pyrazol-4- yl)pyridin-2-...)
Show SMILES CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(C)=O)N(Cc2cc(F)cc(OC)c2)C1=O
Show InChI InChI=1S/C27H31FN6O3/c1-4-24-23(20-14-29-30-15-20)5-6-25(31-24)33-17-27(7-9-32(10-8-27)18(2)35)34(26(33)36)16-19-11-21(28)13-22(12-19)37-3/h5-6,11-15H,4,7-10,16-17H2,1-3H3,(H,29,30)
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n/an/a<3n/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 US10787450 (2020)

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


(Homo sapiens (Human))
BDBM464222
PNG
(US10787450, Example 102 | methyl 3-(6-methoxy- 5-(...)
Show SMILES COC(=O)N1CCC2(CN(C(=O)N2Cc2cccc(OC)c2)c2ccc(-c3cn[nH]c3)c(OC)n2)CC1
Show InChI InChI=1S/C26H30N6O5/c1-35-20-6-4-5-18(13-20)16-32-24(33)31(17-26(32)9-11-30(12-10-26)25(34)37-3)22-8-7-21(23(29-22)36-2)19-14-27-28-15-19/h4-8,13-15H,9-12,16-17H2,1-3H3,(H,27,28)
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n/an/a<3n/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 US10787450 (2020)

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


(Homo sapiens (Human))
BDBM464236
PNG
(3-(4-(1H-pyrazol-4- yl)phenyl)-1-(3- methoxybenzyl...)
Show SMILES CCCN1CCC2(CN(C(=O)N2Cc2cccc(OC)c2)c2ccc(cc2)-c2cn[nH]c2)CC1
Show InChI InChI=1S/C27H33N5O2/c1-3-13-30-14-11-27(12-15-30)20-31(24-9-7-22(8-10-24)23-17-28-29-18-23)26(33)32(27)19-21-5-4-6-25(16-21)34-2/h4-10,16-18H,3,11-15,19-20H2,1-2H3,(H,28,29)
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n/an/a<3n/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 US10787450 (2020)

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


(Homo sapiens (Human))
BDBM464254
PNG
(8-(2,2-difluoroethyl)- 3-(6-methoxy-5-(1H- pyrazol...)
Show SMILES COc1cccc(CN2C(=O)N(CC22CCN(CC(F)F)CC2)c2ccc(-c3cn[nH]c3)c(OC)n2)c1
Show InChI InChI=1S/C26H30F2N6O3/c1-36-20-5-3-4-18(12-20)15-34-25(35)33(17-26(34)8-10-32(11-9-26)16-22(27)28)23-7-6-21(24(31-23)37-2)19-13-29-30-14-19/h3-7,12-14,22H,8-11,15-17H2,1-2H3,(H,29,30)
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n/an/a<3n/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 US10787450 (2020)

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


(Homo sapiens (Human))
BDBM464260
PNG
(3-(4-(1H-pyrazol-4- yl)phenyl)-8-(2- hydroxyethyl)...)
Show SMILES COc1cccc(CN2C(=O)N(CC22CCN(CCO)CC2)c2ccc(cc2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C26H31N5O3/c1-34-24-4-2-3-20(15-24)18-31-25(33)30(19-26(31)9-11-29(12-10-26)13-14-32)23-7-5-21(6-8-23)22-16-27-28-17-22/h2-8,15-17,32H,9-14,18-19H2,1H3,(H,27,28)
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n/an/a<3n/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 US10787450 (2020)

More data for this
Ligand-Target Pair
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