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Patent code US9458110

Compile Data Set for Download or QSAR

Found 632 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


(Homo sapiens (Human))
BDBM252176
PNG
(US9458110, 248)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)C(=O)NC1CCN(C)CC1
Show InChI InChI=1S/C25H29N5O3/c1-30-10-8-21(9-11-30)29-25(32)18-5-3-4-17(12-18)14-26-24(31)19-6-7-22(23(13-19)33-2)20-15-27-28-16-20/h3-7,12-13,15-16,21H,8-11,14H2,1-2H3,(H,26,31)(H,27,28)(H,29,32)
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n/an/a 0.190n/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...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (human))
BDBM252239
PNG
(US9458110, 309)
Show SMILES C[C@@H](NC(=O)c1cc(F)c(cc1OCCN(C)C)-c1c[nH]nc1C)c1ccccc1
Show InChI InChI=1S/C23H27FN4O2/c1-15(17-8-6-5-7-9-17)26-23(29)19-12-21(24)18(20-14-25-27-16(20)2)13-22(19)30-11-10-28(3)4/h5-9,12-15H,10-11H2,1-4H3,(H,25,27)(H,26,29)/t15-/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...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM252174
PNG
(US9458110, 246)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)C(=O)Nc1nc2CCNCc2s1
Show InChI InChI=1S/C25H24N6O3S/c1-34-21-10-17(5-6-19(21)18-12-28-29-13-18)23(32)27-11-15-3-2-4-16(9-15)24(33)31-25-30-20-7-8-26-14-22(20)35-25/h2-6,9-10,12-13,26H,7-8,11,14H2,1H3,(H,27,32)(H,28,29)(H,30,31,33)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (human))
BDBM252174
PNG
(US9458110, 246)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)C(=O)Nc1nc2CCNCc2s1
Show InChI InChI=1S/C25H24N6O3S/c1-34-21-10-17(5-6-19(21)18-12-28-29-13-18)23(32)27-11-15-3-2-4-16(9-15)24(33)31-25-30-20-7-8-26-14-22(20)35-25/h2-6,9-10,12-13,26H,7-8,11,14H2,1H3,(H,27,32)(H,28,29)(H,30,31,33)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM252182
PNG
(US9458110, 254)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](CN)c1ccccc1
Show InChI InChI=1S/C19H20N4O2/c1-25-18-9-14(7-8-16(18)15-11-21-22-12-15)19(24)23-17(10-20)13-5-3-2-4-6-13/h2-9,11-12,17H,10,20H2,1H3,(H,21,22)(H,23,24)/t17-/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...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM252166
PNG
(US9458110, 238)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)C(=O)NC1CC1
Show InChI InChI=1S/C22H22N4O3/c1-29-20-10-16(5-8-19(20)17-12-24-25-13-17)21(27)23-11-14-3-2-4-15(9-14)22(28)26-18-6-7-18/h2-5,8-10,12-13,18H,6-7,11H2,1H3,(H,23,27)(H,24,25)(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...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM252175
PNG
(US9458110, 247)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)C(=O)Nc1nc2CCN(C)Cc2s1
Show InChI InChI=1S/C26H26N6O3S/c1-32-9-8-21-23(15-32)36-26(30-21)31-25(34)17-5-3-4-16(10-17)12-27-24(33)18-6-7-20(22(11-18)35-2)19-13-28-29-14-19/h3-7,10-11,13-14H,8-9,12,15H2,1-2H3,(H,27,33)(H,28,29)(H,30,31,34)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM252160
PNG
(US9458110, 232)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)NC(CN)Cc1ccccc1
Show InChI InChI=1S/C20H22N4O2/c1-26-19-10-15(7-8-18(19)16-12-22-23-13-16)20(25)24-17(11-21)9-14-5-3-2-4-6-14/h2-8,10,12-13,17H,9,11,21H2,1H3,(H,22,23)(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...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM252177
PNG
(US9458110, 249)
Show SMILES COc1cc(ccc1C(=O)NCc1cccc(c1)C(=O)NC1CCN(C)CC1)-c1cn[nH]c1
Show InChI InChI=1S/C25H29N5O3/c1-30-10-8-21(9-11-30)29-24(31)19-5-3-4-17(12-19)14-26-25(32)22-7-6-18(13-23(22)33-2)20-15-27-28-16-20/h3-7,12-13,15-16,21H,8-11,14H2,1-2H3,(H,26,32)(H,27,28)(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...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM252164
PNG
(US9458110, 236)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)C(=O)NCC1CC1
Show InChI InChI=1S/C23H24N4O3/c1-30-21-10-18(7-8-20(21)19-13-26-27-14-19)23(29)25-12-16-3-2-4-17(9-16)22(28)24-11-15-5-6-15/h2-4,7-10,13-15H,5-6,11-12H2,1H3,(H,24,28)(H,25,29)(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...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (human))
BDBM252175
PNG
(US9458110, 247)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)C(=O)Nc1nc2CCN(C)Cc2s1
Show InChI InChI=1S/C26H26N6O3S/c1-32-9-8-21-23(15-32)36-26(30-21)31-25(34)17-5-3-4-16(10-17)12-27-24(33)18-6-7-20(22(11-18)35-2)19-13-28-29-14-19/h3-7,10-11,13-14H,8-9,12,15H2,1-2H3,(H,27,33)(H,28,29)(H,30,31,34)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM252165
PNG
(US9458110, 237)
Show SMILES CCNC(=O)c1cccc(CNC(=O)c2ccc(-c3cn[nH]c3)c(OC)c2)c1
Show InChI InChI=1S/C21H22N4O3/c1-3-22-20(26)15-6-4-5-14(9-15)11-23-21(27)16-7-8-18(19(10-16)28-2)17-12-24-25-13-17/h4-10,12-13H,3,11H2,1-2H3,(H,22,26)(H,23,27)(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...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (human))
BDBM252176
PNG
(US9458110, 248)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)C(=O)NC1CCN(C)CC1
Show InChI InChI=1S/C25H29N5O3/c1-30-10-8-21(9-11-30)29-25(32)18-5-3-4-17(12-18)14-26-24(31)19-6-7-22(23(13-19)33-2)20-15-27-28-16-20/h3-7,12-13,15-16,21H,8-11,14H2,1-2H3,(H,26,31)(H,27,28)(H,29,32)
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Bristol-Myers Squibb Company

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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...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM252162
PNG
(US9458110, 234)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C23H26N4O4/c1-23(2,30)14-25-22(29)16-6-4-5-15(9-16)11-24-21(28)17-7-8-19(20(10-17)31-3)18-12-26-27-13-18/h4-10,12-13,30H,11,14H2,1-3H3,(H,24,28)(H,25,29)(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...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM252171
PNG
(US9458110, 243)
Show SMILES Cc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)C(=O)NCC1CC1
Show InChI InChI=1S/C23H24N4O2/c1-15-9-19(7-8-21(15)20-13-26-27-14-20)23(29)25-12-17-3-2-4-18(10-17)22(28)24-11-16-5-6-16/h2-4,7-10,13-14,16H,5-6,11-12H2,1H3,(H,24,28)(H,25,29)(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...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM252234
PNG
(US9458110, 305)
Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1OC)-c1c[nH]nc1C
Show InChI InChI=1S/C21H23N3O3/c1-13(15-6-5-7-17(10-15)26-3)23-21(25)18-9-8-16(11-20(18)27-4)19-12-22-24-14(19)2/h5-13H,1-4H3,(H,22,24)(H,23,25)/t13-/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...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM252032
PNG
(US9458110, 103)
Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(-c2cn[nH]c2)c(Cl)c1
Show InChI InChI=1S/C19H18ClN3O2/c1-12(13-4-3-5-16(8-13)25-2)23-19(24)14-6-7-17(18(20)9-14)15-10-21-22-11-15/h3-12H,1-2H3,(H,21,22)(H,23,24)/t12-/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...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM252173
PNG
(US9458110, 245)
Show SMILES Cc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)C(=O)NC[C@H]1CCCN1
Show InChI InChI=1S/C24H27N5O2/c1-16-10-19(7-8-22(16)20-13-28-29-14-20)24(31)26-12-17-4-2-5-18(11-17)23(30)27-15-21-6-3-9-25-21/h2,4-5,7-8,10-11,13-14,21,25H,3,6,9,12,15H2,1H3,(H,26,31)(H,27,30)(H,28,29)/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...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM252184
PNG
(US9458110, 256)
Show SMILES Cc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](CN)c1ccccc1
Show InChI InChI=1S/C19H20N4O/c1-13-9-15(7-8-17(13)16-11-21-22-12-16)19(24)23-18(10-20)14-5-3-2-4-6-14/h2-9,11-12,18H,10,20H2,1H3,(H,21,22)(H,23,24)/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...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM252178
PNG
(US9458110, 250)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)C(N)=O
Show InChI InChI=1S/C19H18N4O3/c1-26-17-8-14(5-6-16(17)15-10-22-23-11-15)19(25)21-9-12-3-2-4-13(7-12)18(20)24/h2-8,10-11H,9H2,1H3,(H2,20,24)(H,21,25)(H,22,23)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (human))
BDBM252182
PNG
(US9458110, 254)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](CN)c1ccccc1
Show InChI InChI=1S/C19H20N4O2/c1-25-18-9-14(7-8-16(18)15-11-21-22-12-15)19(24)23-17(10-20)13-5-3-2-4-6-13/h2-9,11-12,17H,10,20H2,1H3,(H,21,22)(H,23,24)/t17-/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...


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


(Homo sapiens (Human))
BDBM252063
PNG
(US9458110, 134)
Show SMILES COC(=O)c1cc(CNC(=O)c2ccc(-c3cn[nH]c3)c(OC)c2)ccc1F
Show InChI InChI=1S/C20H18FN3O4/c1-27-18-8-13(4-5-15(18)14-10-23-24-11-14)19(25)22-9-12-3-6-17(21)16(7-12)20(26)28-2/h3-8,10-11H,9H2,1-2H3,(H,22,25)(H,23,24)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM252068
PNG
(US9458110, 139 | US9458110, 140)
Show SMILES COc1ccc(F)c(c1)C(C)NC(=O)c1ccc(-c2cn[nH]c2)c(OC)c1
Show InChI InChI=1S/C20H20FN3O3/c1-12(17-9-15(26-2)5-7-18(17)21)24-20(25)13-4-6-16(19(8-13)27-3)14-10-22-23-11-14/h4-12H,1-3H3,(H,22,23)(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...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (human))
BDBM251934
PNG
(US9458110, 6)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(O)c1
Show InChI InChI=1S/C18H17N3O3/c1-24-17-8-13(5-6-16(17)14-10-20-21-11-14)18(23)19-9-12-3-2-4-15(22)7-12/h2-8,10-11,22H,9H2,1H3,(H,19,23)(H,20,21)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM252169
PNG
(US9458110, 241)
Show SMILES CCN1CCCC1CNC(=O)c1cccc(CNC(=O)c2ccc(-c3cn[nH]c3)c(OC)c2)c1
Show InChI InChI=1S/C26H31N5O3/c1-3-31-11-5-8-22(31)17-28-25(32)19-7-4-6-18(12-19)14-27-26(33)20-9-10-23(24(13-20)34-2)21-15-29-30-16-21/h4,6-7,9-10,12-13,15-16,22H,3,5,8,11,14,17H2,1-2H3,(H,27,33)(H,28,32)(H,29,30)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM251935
PNG
(US9458110, 7)
Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(-c2cn[nH]c2)c(OC)c1
Show InChI InChI=1S/C20H21N3O3/c1-13(14-5-4-6-17(9-14)25-2)23-20(24)15-7-8-18(19(10-15)26-3)16-11-21-22-12-16/h4-13H,1-3H3,(H,21,22)(H,23,24)/t13-/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...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM252012
PNG
(US9458110, 65)
Show SMILES CNC(=O)c1cccc(CNC(=O)c2ccc(-c3cn[nH]c3)c(OC)c2)c1
Show InChI InChI=1S/C20H20N4O3/c1-21-19(25)14-5-3-4-13(8-14)10-22-20(26)15-6-7-17(18(9-15)27-2)16-11-23-24-12-16/h3-9,11-12H,10H2,1-2H3,(H,21,25)(H,22,26)(H,23,24)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM251936
PNG
(US9458110, 8)
Show SMILES COC(=O)c1cccc(CNC(=O)c2ccc(-c3cn[nH]c3)c(OC)c2)c1
Show InChI InChI=1S/C20H19N3O4/c1-26-18-9-14(6-7-17(18)16-11-22-23-12-16)19(24)21-10-13-4-3-5-15(8-13)20(25)27-2/h3-9,11-12H,10H2,1-2H3,(H,21,24)(H,22,23)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM251934
PNG
(US9458110, 6)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(O)c1
Show InChI InChI=1S/C18H17N3O3/c1-24-17-8-13(5-6-16(17)14-10-20-21-11-14)18(23)19-9-12-3-2-4-15(22)7-12/h2-8,10-11,22H,9H2,1H3,(H,19,23)(H,20,21)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM252172
PNG
(US9458110, 244)
Show SMILES Cc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)C(=O)NC1CC1
Show InChI InChI=1S/C22H22N4O2/c1-14-9-17(5-8-20(14)18-12-24-25-13-18)21(27)23-11-15-3-2-4-16(10-15)22(28)26-19-6-7-19/h2-5,8-10,12-13,19H,6-7,11H2,1H3,(H,23,27)(H,24,25)(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...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM252159
PNG
(US9458110, 231)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C18H18N4O4S/c1-26-17-8-13(5-6-16(17)14-10-21-22-11-14)18(23)20-9-12-3-2-4-15(7-12)27(19,24)25/h2-8,10-11H,9H2,1H3,(H,20,23)(H,21,22)(H2,19,24,25)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM252070
PNG
(US9458110, 141 | US9458110, 142)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)NC(C)c1c(F)cccc1F
Show InChI InChI=1S/C19H17F2N3O2/c1-11(18-15(20)4-3-5-16(18)21)24-19(25)12-6-7-14(17(8-12)26-2)13-9-22-23-10-13/h3-11H,1-2H3,(H,22,23)(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...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM252039
PNG
(US9458110, 110)
Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(-c2cn[nH]c2)c(OC)c1F
Show InChI InChI=1S/C20H20FN3O3/c1-12(13-5-4-6-15(9-13)26-2)24-20(25)17-8-7-16(14-10-22-23-11-14)19(27-3)18(17)21/h4-12H,1-3H3,(H,22,23)(H,24,25)/t12-/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...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (human))
BDBM252160
PNG
(US9458110, 232)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)NC(CN)Cc1ccccc1
Show InChI InChI=1S/C20H22N4O2/c1-26-19-10-15(7-8-18(19)16-12-22-23-13-16)20(25)24-17(11-21)9-14-5-3-2-4-6-14/h2-8,10,12-13,17H,9,11,21H2,1H3,(H,22,23)(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...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM252153
PNG
(US9458110, 225)
Show SMILES COc1cc(ccc1C(=O)N[C@H]([C@H](O)CO)c1ccccc1)-c1cn[nH]c1
Show InChI InChI=1S/C20H21N3O4/c1-27-18-9-14(15-10-21-22-11-15)7-8-16(18)20(26)23-19(17(25)12-24)13-5-3-2-4-6-13/h2-11,17,19,24-25H,12H2,1H3,(H,21,22)(H,23,26)/t17-,19+/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...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (human))
BDBM251935
PNG
(US9458110, 7)
Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(-c2cn[nH]c2)c(OC)c1
Show InChI InChI=1S/C20H21N3O3/c1-13(14-5-4-6-17(9-14)25-2)23-20(24)15-7-8-18(19(10-15)26-3)16-11-21-22-12-16/h4-13H,1-3H3,(H,21,22)(H,23,24)/t13-/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...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM251982
PNG
(US9458110, 55)
Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1OC)-c1cn[nH]c1
Show InChI InChI=1S/C20H21N3O3/c1-13(14-5-4-6-17(9-14)25-2)23-20(24)18-8-7-15(10-19(18)26-3)16-11-21-22-12-16/h4-13H,1-3H3,(H,21,22)(H,23,24)/t13-/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...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM252000
PNG
(US9458110, 83)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)C(=O)NC1(C)CC1
Show InChI InChI=1S/C23H24N4O3/c1-23(8-9-23)27-22(29)16-5-3-4-15(10-16)12-24-21(28)17-6-7-19(20(11-17)30-2)18-13-25-26-14-18/h3-7,10-11,13-14H,8-9,12H2,1-2H3,(H,24,28)(H,25,26)(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...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM252001
PNG
(US9458110, 1)
Show SMILES COc1cccc(CNC(=O)c2ccc(-c3cn[nH]c3)c(OC)c2)c1
Show InChI InChI=1S/C19H19N3O3/c1-24-16-5-3-4-13(8-16)10-20-19(23)14-6-7-17(18(9-14)25-2)15-11-21-22-12-15/h3-9,11-12H,10H2,1-2H3,(H,20,23)(H,21,22)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM252011
PNG
(US9458110, 64)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)C(O)=O
Show InChI InChI=1S/C19H17N3O4/c1-26-17-8-13(5-6-16(17)15-10-21-22-11-15)18(23)20-9-12-3-2-4-14(7-12)19(24)25/h2-8,10-11H,9H2,1H3,(H,20,23)(H,21,22)(H,24,25)
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Bristol-Myers Squibb Company

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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...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (human))
BDBM252177
PNG
(US9458110, 249)
Show SMILES COc1cc(ccc1C(=O)NCc1cccc(c1)C(=O)NC1CCN(C)CC1)-c1cn[nH]c1
Show InChI InChI=1S/C25H29N5O3/c1-30-10-8-21(9-11-30)29-24(31)19-5-3-4-17(12-19)14-26-25(32)22-7-6-18(13-23(22)33-2)20-15-27-28-16-20/h3-7,12-13,15-16,21H,8-11,14H2,1-2H3,(H,26,32)(H,27,28)(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...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM252087
PNG
(US9458110, 158 | US9458110, 163 | US9458110, 165)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)NC(C)c1ccccc1F
Show InChI InChI=1S/C19H18FN3O2/c1-12(15-5-3-4-6-17(15)20)23-19(24)13-7-8-16(18(9-13)25-2)14-10-21-22-11-14/h3-12H,1-2H3,(H,21,22)(H,23,24)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM252087
PNG
(US9458110, 158 | US9458110, 163 | US9458110, 165)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)NC(C)c1ccccc1F
Show InChI InChI=1S/C19H18FN3O2/c1-12(15-5-3-4-6-17(15)20)23-19(24)13-7-8-16(18(9-13)25-2)14-10-21-22-11-14/h3-12H,1-2H3,(H,21,22)(H,23,24)
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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...


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


(Homo sapiens (Human))
BDBM252193
PNG
(US9458110, 265)
Show SMILES CCNC[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(OC)c1)c1c(F)cccc1F
Show InChI InChI=1S/C21H22F2N4O2/c1-3-24-12-18(20-16(22)5-4-6-17(20)23)27-21(28)13-7-8-15(19(9-13)29-2)14-10-25-26-11-14/h4-11,18,24H,3,12H2,1-2H3,(H,25,26)(H,27,28)/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...


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


(Homo sapiens (Human))
BDBM251971
PNG
(US9458110, 43)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](C)c1ccccc1Cl
Show InChI InChI=1S/C19H18ClN3O2/c1-12(15-5-3-4-6-17(15)20)23-19(24)13-7-8-16(18(9-13)25-2)14-10-21-22-11-14/h3-12H,1-2H3,(H,21,22)(H,23,24)/t12-/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...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM252028
PNG
(US9458110, 99)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1ccc(Cl)cc1F
Show InChI InChI=1S/C18H15ClFN3O2/c1-25-17-6-11(3-5-15(17)13-9-22-23-10-13)18(24)21-8-12-2-4-14(19)7-16(12)20/h2-7,9-10H,8H2,1H3,(H,21,24)(H,22,23)
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n/an/a 1.36n/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...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM252065
PNG
(US9458110, 136)
Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(-c2cn[nH]c2)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H18F3N3O2/c1-12(13-4-3-5-16(8-13)28-2)26-19(27)14-6-7-17(15-10-24-25-11-15)18(9-14)20(21,22)23/h3-12H,1-2H3,(H,24,25)(H,26,27)/t12-/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...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM251989
PNG
(US9458110, 72)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C19H19N3O2/c1-13(14-6-4-3-5-7-14)22-19(23)15-8-9-17(18(10-15)24-2)16-11-20-21-12-16/h3-13H,1-2H3,(H,20,21)(H,22,23)/t13-/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...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (human))
BDBM252098
PNG
(US9458110, 169 | US9458110, 178 | US9458110, 179)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)NC(CCN(C)C)c1ccccc1
Show InChI InChI=1S/C22H26N4O2/c1-26(2)12-11-20(16-7-5-4-6-8-16)25-22(27)17-9-10-19(21(13-17)28-3)18-14-23-24-15-18/h4-10,13-15,20H,11-12H2,1-3H3,(H,23,24)(H,25,27)
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n/an/a 1.53n/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...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (human))
BDBM252169
PNG
(US9458110, 241)
Show SMILES CCN1CCCC1CNC(=O)c1cccc(CNC(=O)c2ccc(-c3cn[nH]c3)c(OC)c2)c1
Show InChI InChI=1S/C26H31N5O3/c1-3-31-11-5-8-22(31)17-28-25(32)19-7-4-6-18(12-19)14-27-26(33)20-9-10-23(24(13-20)34-2)21-15-29-30-16-21/h4,6-7,9-10,12-13,15-16,22H,3,5,8,11,14,17H2,1-2H3,(H,27,33)(H,28,32)(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...


Citation and Details
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%