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Patent code US10112929

Compile Data Set for Download or QSAR

Found 379 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))
BDBM295581
PNG
(US10112929, Example 311 | US10112929, Example 312)
Show SMILES COc1cccc(NC2CCN(C2=O)c2cc(F)c(-c3cn[nH]c3)c(F)c2)c1
Show InChI InChI=1S/C20H18F2N4O2/c1-28-15-4-2-3-13(7-15)25-18-5-6-26(20(18)27)14-8-16(21)19(17(22)9-14)12-10-23-24-11-12/h2-4,7-11,18,25H,5-6H2,1H3,(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...


US Patent US10112929 (2018)

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


(Homo sapiens (Human))
BDBM295651
PNG
((R)-1-(4-(1H-Pyrazol-4-yl)phenyl)-3-((3-methoxyphe...)
Show SMILES COc1cccc(N[C@@H]2CCN(C2=O)c2ccc(Br)cc2)c1
Show InChI InChI=1S/C17H17BrN2O2/c1-22-15-4-2-3-13(11-15)19-16-9-10-20(17(16)21)14-7-5-12(18)6-8-14/h2-8,11,16,19H,9-10H2,1H3/t16-/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 US10112929 (2018)

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


(Homo sapiens (Human))
BDBM295288
PNG
(US10112929, Example 6)
Show SMILES CCOc1cccc(NC2CCN(C2=O)c2ccc(cc2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C21H22N4O2/c1-2-27-19-5-3-4-17(12-19)24-20-10-11-25(21(20)26)18-8-6-15(7-9-18)16-13-22-23-14-16/h3-9,12-14,20,24H,2,10-11H2,1H3,(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...


US Patent US10112929 (2018)

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


(Homo sapiens (Human))
BDBM295328
PNG
(US10112929, Example 45 | US10112929, Example 46)
Show SMILES COc1cccc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(F)c2)c1
Show InChI InChI=1S/C20H19FN4O2/c1-27-16-4-2-3-14(9-16)24-19-7-8-25(20(19)26)15-5-6-17(18(21)10-15)13-11-22-23-12-13/h2-6,9-12,19,24H,7-8H2,1H3,(H,22,23)
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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 US10112929 (2018)

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


(Homo sapiens (Human))
BDBM295384
PNG
(US10112929, Example 103)
Show SMILES COc1cccc(c1)C1CCN(C1=O)c1ccc(cc1)-c1cn[nH]c1
Show InChI InChI=1S/C20H19N3O2/c1-25-18-4-2-3-15(11-18)19-9-10-23(20(19)24)17-7-5-14(6-8-17)16-12-21-22-13-16/h2-8,11-13,19H,9-10H2,1H3,(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...


US Patent US10112929 (2018)

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


(Homo sapiens (Human))
BDBM295478
PNG
(US10112929, Example 205 | US10112929, Example 206 ...)
Show SMILES COc1nc(ccc1-c1cn[nH]c1)N1CCC(Nc2cccc(OCC3CC3)c2)C1=O
Show InChI InChI=1S/C23H25N5O3/c1-30-22-19(16-12-24-25-13-16)7-8-21(27-22)28-10-9-20(23(28)29)26-17-3-2-4-18(11-17)31-14-15-5-6-15/h2-4,7-8,11-13,15,20,26H,5-6,9-10,14H2,1H3,(H,24,25)
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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 US10112929 (2018)

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


(Homo sapiens (Human))
BDBM295527
PNG
(US10112929, Example 257)
Show SMILES COc1nc(ccc1-c1cn[nH]c1)N1CCC(Nc2cccc(c2)C#N)C1=O
Show InChI InChI=1S/C20H18N6O2/c1-28-19-16(14-11-22-23-12-14)5-6-18(25-19)26-8-7-17(20(26)27)24-15-4-2-3-13(9-15)10-21/h2-6,9,11-12,17,24H,7-8H2,1H3,(H,22,23)
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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 US10112929 (2018)

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


(Homo sapiens (Human))
BDBM295529
PNG
(US10112929, Example 259)
Show SMILES COc1nc(ccc1-c1cn[nH]c1)N1CCC(Nc2ccc3ncsc3c2)C1=O
Show InChI InChI=1S/C20H18N6O2S/c1-28-19-14(12-9-22-23-10-12)3-5-18(25-19)26-7-6-16(20(26)27)24-13-2-4-15-17(8-13)29-11-21-15/h2-5,8-11,16,24H,6-7H2,1H3,(H,22,23)
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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 US10112929 (2018)

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


(Homo sapiens (Human))
BDBM295585
PNG
(US10112929, Example 315 | US10112929, Example 316)
Show SMILES CCc1nc(ccc1-c1cn[nH]c1)N1CCC(Nc2cc(F)cc(OC)c2)C1=O
Show InChI InChI=1S/C21H22FN5O2/c1-3-18-17(13-11-23-24-12-13)4-5-20(26-18)27-7-6-19(21(27)28)25-15-8-14(22)9-16(10-15)29-2/h4-5,8-12,19,25H,3,6-7H2,1-2H3,(H,23,24)
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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 US10112929 (2018)

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


(Homo sapiens (Human))
BDBM295311
PNG
(BDBM295346 | US10112929, Example 28 | US10112929, ...)
Show SMILES COc1cccc(NC2CCN(C2=O)c2ccc(cc2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C20H20N4O2/c1-26-18-4-2-3-16(11-18)23-19-9-10-24(20(19)25)17-7-5-14(6-8-17)15-12-21-22-13-15/h2-8,11-13,19,23H,9-10H2,1H3,(H,21,22)
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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 US10112929 (2018)

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


(Homo sapiens (Human))
BDBM295351
PNG
(US10112929, Example 68 | US10112929, Example 74 | ...)
Show SMILES COc1cccc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(OC)c2)c1
Show InChI InChI=1S/C21H22N4O3/c1-27-17-5-3-4-15(10-17)24-19-8-9-25(21(19)26)16-6-7-18(20(11-16)28-2)14-12-22-23-13-14/h3-7,10-13,19,24H,8-9H2,1-2H3,(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...


US Patent US10112929 (2018)

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


(Homo sapiens (Human))
BDBM295407
PNG
((3R,4S)-1-(4-(1H-Pyrazol-4-yl)phenyl)-4-(hydroxyme...)
Show SMILES COc1cccc(N[C@@H]2[C@@H](CO)CN(C2=O)c2ccc(cc2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C21H22N4O3/c1-28-19-4-2-3-17(9-19)24-20-16(13-26)12-25(21(20)27)18-7-5-14(6-8-18)15-10-22-23-11-15/h2-11,16,20,24,26H,12-13H2,1H3,(H,22,23)/t16-,20-/m1/s1
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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 US10112929 (2018)

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


(Homo sapiens (Human))
BDBM295446
PNG
(US10112929, Example 172 | US10112929, Example 173 ...)
Show SMILES COc1cc(F)cc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(OC)n2)c1
Show InChI InChI=1S/C20H20FN5O3/c1-28-15-8-13(21)7-14(9-15)24-17-5-6-26(20(17)27)18-4-3-16(19(25-18)29-2)12-10-22-23-11-12/h3-4,7-11,17,24H,5-6H2,1-2H3,(H,22,23)
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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 US10112929 (2018)

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


(Homo sapiens (Human))
BDBM295478
PNG
(US10112929, Example 205 | US10112929, Example 206 ...)
Show SMILES COc1nc(ccc1-c1cn[nH]c1)N1CCC(Nc2cccc(OCC3CC3)c2)C1=O
Show InChI InChI=1S/C23H25N5O3/c1-30-22-19(16-12-24-25-13-16)7-8-21(27-22)28-10-9-20(23(28)29)26-17-3-2-4-18(11-17)31-14-15-5-6-15/h2-4,7-8,11-13,15,20,26H,5-6,9-10,14H2,1H3,(H,24,25)
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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 US10112929 (2018)

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


(Homo sapiens (Human))
BDBM295491
PNG
(US10112929, Example 218 | US10112929, Example 219)
Show SMILES CCOc1cccc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(OC)n2)c1
Show InChI InChI=1S/C21H23N5O3/c1-3-29-16-6-4-5-15(11-16)24-18-9-10-26(21(18)27)19-8-7-17(20(25-19)28-2)14-12-22-23-13-14/h4-8,11-13,18,24H,3,9-10H2,1-2H3,(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...


US Patent US10112929 (2018)

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


(Homo sapiens (Human))
BDBM295506
PNG
(US10112929, Example 235)
Show SMILES O=C1[C@@H](CCN1c1ccc(cc1)-c1cn[nH]c1)Nc1cccc(OCC2CC2)c1
Show InChI InChI=1S/C23H24N4O2/c28-23-22(26-19-2-1-3-21(12-19)29-15-16-4-5-16)10-11-27(23)20-8-6-17(7-9-20)18-13-24-25-14-18/h1-3,6-9,12-14,16,22,26H,4-5,10-11,15H2,(H,24,25)/t22-/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 US10112929 (2018)

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


(Homo sapiens (Human))
BDBM295513
PNG
(US10112929, Example 243 | US10112929, Example 244)
Show SMILES CCc1cc(ccc1-c1cn[nH]c1)N1CCC(Nc2cccc(OC)c2)C1=O
Show InChI InChI=1S/C22H24N4O2/c1-3-15-11-18(7-8-20(15)16-13-23-24-14-16)26-10-9-21(22(26)27)25-17-5-4-6-19(12-17)28-2/h4-8,11-14,21,25H,3,9-10H2,1-2H3,(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...


US Patent US10112929 (2018)

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


(Homo sapiens (Human))
BDBM295583
PNG
(US10112929, Example 313 | US10112929, Example 314)
Show SMILES CCc1nc(ccc1-c1cn[nH]c1)N1CCC(Nc2cccc(OC)c2)C1=O
Show InChI InChI=1S/C21H23N5O2/c1-3-18-17(14-12-22-23-13-14)7-8-20(25-18)26-10-9-19(21(26)27)24-15-5-4-6-16(11-15)28-2/h4-8,11-13,19,24H,3,9-10H2,1-2H3,(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...


US Patent US10112929 (2018)

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


(Homo sapiens (Human))
BDBM295583
PNG
(US10112929, Example 313 | US10112929, Example 314)
Show SMILES CCc1nc(ccc1-c1cn[nH]c1)N1CCC(Nc2cccc(OC)c2)C1=O
Show InChI InChI=1S/C21H23N5O2/c1-3-18-17(14-12-22-23-13-14)7-8-20(25-18)26-10-9-19(21(26)27)24-15-5-4-6-16(11-15)28-2/h4-8,11-13,19,24H,3,9-10H2,1-2H3,(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...


US Patent US10112929 (2018)

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


(Homo sapiens (Human))
BDBM295593
PNG
(US10112929, Example 323)
Show SMILES COc1cccc(NC2[C@H](CO)CN(C2=O)c2ccc(cc2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C21H22N4O3/c1-28-19-4-2-3-17(9-19)24-20-16(13-26)12-25(21(20)27)18-7-5-14(6-8-18)15-10-22-23-11-15/h2-11,16,20,24,26H,12-13H2,1H3,(H,22,23)/t16-,20?/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 US10112929 (2018)

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


(Homo sapiens (Human))
BDBM295602
PNG
(US10112929, Example 332 | US10112929, Example 333)
Show SMILES COc1cc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(F)c2)ccc1F
Show InChI InChI=1S/C20H18F2N4O2/c1-28-19-8-13(2-5-16(19)21)25-18-6-7-26(20(18)27)14-3-4-15(17(22)9-14)12-10-23-24-11-12/h2-5,8-11,18,25H,6-7H2,1H3,(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...


US Patent US10112929 (2018)

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


(Homo sapiens (Human))
BDBM295282
PNG
(US10112929, Example 17 | US10112929, Example 18 | ...)
Show SMILES COc1cc(NC2CCN(C2=O)c2ccc(cc2)-c2cn[nH]c2)ccc1F
Show InChI InChI=1S/C20H19FN4O2/c1-27-19-10-15(4-7-17(19)21)24-18-8-9-25(20(18)26)16-5-2-13(3-6-16)14-11-22-23-12-14/h2-7,10-12,18,24H,8-9H2,1H3,(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...


US Patent US10112929 (2018)

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


(Homo sapiens (Human))
BDBM295290
PNG
(US10112929, Example 231 | US10112929, Example 232 ...)
Show SMILES FC(F)Oc1cccc(NC2CCN(C2=O)c2ccc(cc2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C20H18F2N4O2/c21-20(22)28-17-3-1-2-15(10-17)25-18-8-9-26(19(18)27)16-6-4-13(5-7-16)14-11-23-24-12-14/h1-7,10-12,18,20,25H,8-9H2,(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...


US Patent US10112929 (2018)

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


(Homo sapiens (Human))
BDBM295311
PNG
(BDBM295346 | US10112929, Example 28 | US10112929, ...)
Show SMILES COc1cccc(NC2CCN(C2=O)c2ccc(cc2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C20H20N4O2/c1-26-18-4-2-3-16(11-18)23-19-9-10-24(20(19)25)17-7-5-14(6-8-17)15-12-21-22-13-15/h2-8,11-13,19,23H,9-10H2,1H3,(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...


US Patent US10112929 (2018)

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


(Homo sapiens (Human))
BDBM295345
PNG
(US10112929, Example 62 | US10112929, Example 91)
Show SMILES Fc1cccc(NC2CCN(C2=O)c2ccc(cc2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C19H17FN4O/c20-15-2-1-3-16(10-15)23-18-8-9-24(19(18)25)17-6-4-13(5-7-17)14-11-21-22-12-14/h1-7,10-12,18,23H,8-9H2,(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...


US Patent US10112929 (2018)

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


(Homo sapiens (Human))
BDBM295351
PNG
(US10112929, Example 68 | US10112929, Example 74 | ...)
Show SMILES COc1cccc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(OC)c2)c1
Show InChI InChI=1S/C21H22N4O3/c1-27-17-5-3-4-15(10-17)24-19-8-9-25(21(19)26)16-6-7-18(20(11-16)28-2)14-12-22-23-13-14/h3-7,10-13,19,24H,8-9H2,1-2H3,(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...


US Patent US10112929 (2018)

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


(Homo sapiens (Human))
BDBM295366
PNG
(US10112929, Example 85 | US10112929, Example 86)
Show SMILES COc1cccc(NC2CCN(C2=O)c2ccc(cn2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C19H19N5O2/c1-26-16-4-2-3-15(9-16)23-17-7-8-24(19(17)25)18-6-5-13(10-20-18)14-11-21-22-12-14/h2-6,9-12,17,23H,7-8H2,1H3,(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...


US Patent US10112929 (2018)

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


(Homo sapiens (Human))
BDBM295419
PNG
(US10112929, Example 145 | US10112929, Example 146)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)N1CCC(Nc2cc(F)cc(F)c2)C1=O
Show InChI InChI=1S/C20H18F2N4O2/c1-28-19-9-16(2-3-17(19)12-10-23-24-11-12)26-5-4-18(20(26)27)25-15-7-13(21)6-14(22)8-15/h2-3,6-11,18,25H,4-5H2,1H3,(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...


US Patent US10112929 (2018)

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


(Homo sapiens (Human))
BDBM295493
PNG
(US10112929, Example 220 | US10112929, Example 221)
Show SMILES COc1nc(ccc1-c1cn[nH]c1)N1CCC(Nc2cccc(OC(F)F)c2)C1=O
Show InChI InChI=1S/C20H19F2N5O3/c1-29-18-15(12-10-23-24-11-12)5-6-17(26-18)27-8-7-16(19(27)28)25-13-3-2-4-14(9-13)30-20(21)22/h2-6,9-11,16,20,25H,7-8H2,1H3,(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...


US Patent US10112929 (2018)

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


(Homo sapiens (Human))
BDBM295493
PNG
(US10112929, Example 220 | US10112929, Example 221)
Show SMILES COc1nc(ccc1-c1cn[nH]c1)N1CCC(Nc2cccc(OC(F)F)c2)C1=O
Show InChI InChI=1S/C20H19F2N5O3/c1-29-18-15(12-10-23-24-11-12)5-6-17(26-18)27-8-7-16(19(27)28)25-13-3-2-4-14(9-13)30-20(21)22/h2-6,9-11,16,20,25H,7-8H2,1H3,(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...


US Patent US10112929 (2018)

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


(Homo sapiens (Human))
BDBM295497
PNG
(US10112929, Example 225 | US10112929, Example 229 ...)
Show SMILES COc1nc(ccc1-c1cn[nH]c1)N1CCC(N2CCOc3ccccc23)C1=O
Show InChI InChI=1S/C21H21N5O3/c1-28-20-15(14-12-22-23-13-14)6-7-19(24-20)26-9-8-17(21(26)27)25-10-11-29-18-5-3-2-4-16(18)25/h2-7,12-13,17H,8-11H2,1H3,(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...


US Patent US10112929 (2018)

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


(Homo sapiens (Human))
BDBM295507
PNG
(US10112929, Example 237 | US10112929, Example 238)
Show SMILES FC(F)COc1cccc(NC2CCN(C2=O)c2ccc(cc2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C21H20F2N4O2/c22-20(23)13-29-18-3-1-2-16(10-18)26-19-8-9-27(21(19)28)17-6-4-14(5-7-17)15-11-24-25-12-15/h1-7,10-12,19-20,26H,8-9,13H2,(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 US10112929 (2018)

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


(Homo sapiens (Human))
BDBM295530
PNG
(US10112929, Example 260)
Show SMILES COc1nc(ccc1-c1cn[nH]c1)N1CCC(Nc2cccc(NC(C)=O)c2)C1=O
Show InChI InChI=1S/C21H22N6O3/c1-13(28)24-15-4-3-5-16(10-15)25-18-8-9-27(21(18)29)19-7-6-17(20(26-19)30-2)14-11-22-23-12-14/h3-7,10-12,18,25H,8-9H2,1-2H3,(H,22,23)(H,24,28)
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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 US10112929 (2018)

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


(Homo sapiens (Human))
BDBM295579
PNG
(US10112929, Example 309 | US10112929, Example 310)
Show SMILES COc1cc(F)cc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(F)c2F)c1
Show InChI InChI=1S/C20H17F3N4O2/c1-29-14-7-12(21)6-13(8-14)26-16-4-5-27(20(16)28)17-3-2-15(18(22)19(17)23)11-9-24-25-10-11/h2-3,6-10,16,26H,4-5H2,1H3,(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 US10112929 (2018)

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


(Homo sapiens (Human))
BDBM295602
PNG
(US10112929, Example 332 | US10112929, Example 333)
Show SMILES COc1cc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(F)c2)ccc1F
Show InChI InChI=1S/C20H18F2N4O2/c1-28-19-8-13(2-5-16(19)21)25-18-6-7-26(20(18)27)14-3-4-15(17(22)9-14)12-10-23-24-11-12/h2-5,8-11,18,25H,6-7H2,1H3,(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...


US Patent US10112929 (2018)

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


(Homo sapiens (Human))
BDBM295656
PNG
(US10112929, Example 388)
Show SMILES NC(=O)c1cccc(NC2CCN(C2=O)c2ccc(cc2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C20H19N5O2/c21-19(26)14-2-1-3-16(10-14)24-18-8-9-25(20(18)27)17-6-4-13(5-7-17)15-11-22-23-12-15/h1-7,10-12,18,24H,8-9H2,(H2,21,26)(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...


US Patent US10112929 (2018)

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


(Homo sapiens (Human))
BDBM295276
PNG
(US10112929, Example 26 | US10112929, Example 27 | ...)
Show SMILES COc1cc(F)cc(NC2CCN(C2=O)c2ccc(cc2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C20H19FN4O2/c1-27-18-9-15(21)8-16(10-18)24-19-6-7-25(20(19)26)17-4-2-13(3-5-17)14-11-22-23-12-14/h2-5,8-12,19,24H,6-7H2,1H3,(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...


US Patent US10112929 (2018)

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


(Homo sapiens (Human))
BDBM295298
PNG
(US10112929, Example 15)
Show SMILES COc1c(F)cccc1N[C@H]1CCN(C1=O)c1ccc(cc1)-c1cn[nH]c1
Show InChI InChI=1S/C20H19FN4O2/c1-27-19-16(21)3-2-4-17(19)24-18-9-10-25(20(18)26)15-7-5-13(6-8-15)14-11-22-23-12-14/h2-8,11-12,18,24H,9-10H2,1H3,(H,22,23)/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 US10112929 (2018)

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


(Homo sapiens (Human))
BDBM295282
PNG
(US10112929, Example 17 | US10112929, Example 18 | ...)
Show SMILES COc1cc(NC2CCN(C2=O)c2ccc(cc2)-c2cn[nH]c2)ccc1F
Show InChI InChI=1S/C20H19FN4O2/c1-27-19-10-15(4-7-17(19)21)24-18-8-9-25(20(18)26)16-5-2-13(3-6-16)14-11-22-23-12-14/h2-7,10-12,18,24H,8-9H2,1H3,(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...


US Patent US10112929 (2018)

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


(Homo sapiens (Human))
BDBM295276
PNG
(US10112929, Example 26 | US10112929, Example 27 | ...)
Show SMILES COc1cc(F)cc(NC2CCN(C2=O)c2ccc(cc2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C20H19FN4O2/c1-27-18-9-15(21)8-16(10-18)24-19-6-7-25(20(19)26)17-4-2-13(3-5-17)14-11-22-23-12-14/h2-5,8-12,19,24H,6-7H2,1H3,(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...


US Patent US10112929 (2018)

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


(Homo sapiens (Human))
BDBM295319
PNG
(US10112929, Example 36 | US10112929, Example 37)
Show SMILES CCOc1cc(ccc1-c1cn[nH]c1)N1CCC(Nc2cc(F)cc(OC)c2)C1=O
Show InChI InChI=1S/C22H23FN4O3/c1-3-30-21-11-17(4-5-19(21)14-12-24-25-13-14)27-7-6-20(22(27)28)26-16-8-15(23)9-18(10-16)29-2/h4-5,8-13,20,26H,3,6-7H2,1-2H3,(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 US10112929 (2018)

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


(Homo sapiens (Human))
BDBM295326
PNG
(US10112929, Example 43 | US10112929, Example 44)
Show SMILES Fc1cc(ccc1-c1cn[nH]c1)N1CCC(Nc2ccccc2)C1=O
Show InChI InChI=1S/C19H17FN4O/c20-17-10-15(6-7-16(17)13-11-21-22-12-13)24-9-8-18(19(24)25)23-14-4-2-1-3-5-14/h1-7,10-12,18,23H,8-9H2,(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...


US Patent US10112929 (2018)

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


(Homo sapiens (Human))
BDBM295330
PNG
(US10112929, Example 47 | US10112929, Example 48)
Show SMILES Fc1cccc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(F)c2)c1
Show InChI InChI=1S/C19H16F2N4O/c20-13-2-1-3-14(8-13)24-18-6-7-25(19(18)26)15-4-5-16(17(21)9-15)12-10-22-23-11-12/h1-5,8-11,18,24H,6-7H2,(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...


US Patent US10112929 (2018)

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


(Homo sapiens (Human))
BDBM295332
PNG
(US10112929, Example 49 | US10112929, Example 50)
Show SMILES COc1cc(F)cc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(F)c2)c1
Show InChI InChI=1S/C20H18F2N4O2/c1-28-16-7-13(21)6-14(8-16)25-19-4-5-26(20(19)27)15-2-3-17(18(22)9-15)12-10-23-24-11-12/h2-3,6-11,19,25H,4-5H2,1H3,(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...


US Patent US10112929 (2018)

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


(Homo sapiens (Human))
BDBM295363
PNG
(BDBM295368 | Preparation of 1-(5-(1H-pyrazol-4-yl)...)
Show SMILES COc1cc(F)cc(NC2CCN(C2=O)c2ccc(cn2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C19H18FN5O2/c1-27-16-7-14(20)6-15(8-16)24-17-4-5-25(19(17)26)18-3-2-12(9-21-18)13-10-22-23-11-13/h2-3,6-11,17,24H,4-5H2,1H3,(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...


US Patent US10112929 (2018)

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


(Homo sapiens (Human))
BDBM295411
PNG
(US10112929, Example 137 | US10112929, Example 138)
Show SMILES COc1cc(F)cc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(OC)c2)c1
Show InChI InChI=1S/C21H21FN4O3/c1-28-17-8-14(22)7-15(9-17)25-19-5-6-26(21(19)27)16-3-4-18(20(10-16)29-2)13-11-23-24-12-13/h3-4,7-12,19,25H,5-6H2,1-2H3,(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...


US Patent US10112929 (2018)

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


(Homo sapiens (Human))
BDBM295411
PNG
(US10112929, Example 137 | US10112929, Example 138)
Show SMILES COc1cc(F)cc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(OC)c2)c1
Show InChI InChI=1S/C21H21FN4O3/c1-28-17-8-14(22)7-15(9-17)25-19-5-6-26(21(19)27)16-3-4-18(20(10-16)29-2)13-11-23-24-12-13/h3-4,7-12,19,25H,5-6H2,1-2H3,(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...


US Patent US10112929 (2018)

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


(Homo sapiens (Human))
BDBM295428
PNG
(US10112929, Example 154 | US10112929, Example 155)
Show SMILES COc1cc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(OC)c2)ccc1F
Show InChI InChI=1S/C21H21FN4O3/c1-28-19-10-15(4-5-16(19)13-11-23-24-12-13)26-8-7-18(21(26)27)25-14-3-6-17(22)20(9-14)29-2/h3-6,9-12,18,25H,7-8H2,1-2H3,(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...


US Patent US10112929 (2018)

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


(Homo sapiens (Human))
BDBM295438
PNG
(US10112929, Example 164 | US10112929, Example 165)
Show SMILES COc1cccc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(Cl)c2)c1
Show InChI InChI=1S/C20H19ClN4O2/c1-27-16-4-2-3-14(9-16)24-19-7-8-25(20(19)26)15-5-6-17(18(21)10-15)13-11-22-23-12-13/h2-6,9-12,19,24H,7-8H2,1H3,(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...


US Patent US10112929 (2018)

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


(Homo sapiens (Human))
BDBM295444
PNG
(US10112929, Example 170 | US10112929, Example 171 ...)
Show SMILES COc1cccc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(OC)n2)c1
Show InChI InChI=1S/C20H21N5O3/c1-27-15-5-3-4-14(10-15)23-17-8-9-25(20(17)26)18-7-6-16(19(24-18)28-2)13-11-21-22-12-13/h3-7,10-12,17,23H,8-9H2,1-2H3,(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...


US Patent US10112929 (2018)

More data for this
Ligand-Target Pair
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