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Patent code US10112939

Compile Data Set for Download or QSAR
Found 112 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))
BDBM296066
PNG
((3S,5R)-5-(2-Fluorophenyl)-1-[3-methoxy-4-(1H-pyra...)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1C[C@@H](N)C[C@@H]1c1ccccc1F
Show InChI InChI=1S/C21H21FN4O2/c1-28-20-8-13(6-7-16(20)14-10-24-25-11-14)21(27)26-12-15(23)9-19(26)17-4-2-3-5-18(17)22/h2-8,10-11,15,19H,9,12,23H2,1H3,(H,24,25)/t15-,19+/m0/s1
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US Patent
n/an/a 0.870n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296030
PNG
(US10112939, Example 69 | US10112939, Example 70)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@@H]1CNC[C@H]1c1ccccc1
Show InChI InChI=1S/C21H22N4O2/c1-27-20-9-15(7-8-17(20)16-10-23-24-11-16)21(26)25-19-13-22-12-18(19)14-5-3-2-4-6-14/h2-11,18-19,22H,12-13H2,1H3,(H,23,24)(H,25,26)/t18-,19+/m0/s1
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n/an/a 1.28n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM295995
PNG
(3-{1-[3-methoxy-4-(1H- pyrazol-4-yl)benzoyl] pyrro...)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCCC1c1cccc(c1)C(=O)NC1CCN(C)CC1
Show InChI InChI=1S/C28H33N5O3/c1-32-13-10-23(11-14-32)31-27(34)20-6-3-5-19(15-20)25-7-4-12-33(25)28(35)21-8-9-24(26(16-21)36-2)22-17-29-30-18-22/h3,5-6,8-9,15-18,23,25H,4,7,10-14H2,1-2H3,(H,29,30)(H,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...


US Patent US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296067
PNG
((3R,5R)-5-(2-Fluorophenyl)-1-[3-methoxy-4-(1H-pyra...)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1C[C@H](N)C[C@@H]1c1ccccc1F
Show InChI InChI=1S/C21H21FN4O2/c1-28-20-8-13(6-7-16(20)14-10-24-25-11-14)21(27)26-12-15(23)9-19(26)17-4-2-3-5-18(17)22/h2-8,10-11,15,19H,9,12,23H2,1H3,(H,24,25)/t15-,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...


US Patent US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296020
PNG
(3-[(2R)-4-hydroxy-1-[3- methoxy-4-(1H-pyrazol- 4-y...)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CC(O)C[C@@H]1c1cccc(c1)C(=O)NCc1cc(C)on1
Show InChI InChI=1S/C27H27N5O5/c1-16-8-21(31-37-16)14-28-26(34)18-5-3-4-17(9-18)24-11-22(33)15-32(24)27(35)19-6-7-23(25(10-19)36-2)20-12-29-30-13-20/h3-10,12-13,22,24,33H,11,14-15H2,1-2H3,(H,28,34)(H,29,30)/t22?,24-/m1/s1
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n/an/a 1.80n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM295995
PNG
(3-{1-[3-methoxy-4-(1H- pyrazol-4-yl)benzoyl] pyrro...)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCCC1c1cccc(c1)C(=O)NC1CCN(C)CC1
Show InChI InChI=1S/C28H33N5O3/c1-32-13-10-23(11-14-32)31-27(34)20-6-3-5-19(15-20)25-7-4-12-33(25)28(35)21-8-9-24(26(16-21)36-2)22-17-29-30-18-22/h3,5-6,8-9,15-18,23,25H,4,7,10-14H2,1-2H3,(H,29,30)(H,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...


US Patent US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296015
PNG
(3-[(2R)-4-hydroxy-1-[3- methoxy-4-(1H-pyrazol- 4-y...)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CC(O)C[C@@H]1c1cccc(c1)C(=O)NCc1ncco1
Show InChI InChI=1S/C26H25N5O5/c1-35-23-10-18(5-6-21(23)19-12-29-30-13-19)26(34)31-15-20(32)11-22(31)16-3-2-4-17(9-16)25(33)28-14-24-27-7-8-36-24/h2-10,12-13,20,22,32H,11,14-15H2,1H3,(H,28,33)(H,29,30)/t20?,22-/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296011
PNG
(N-(cyclopropylmethyl)-3- [(2R)-4-hydroxy-1-[3- met...)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CC(O)C[C@@H]1c1cccc(c1)C(=O)NCC1CC1
Show InChI InChI=1S/C26H28N4O4/c1-34-24-10-19(7-8-22(24)20-13-28-29-14-20)26(33)30-15-21(31)11-23(30)17-3-2-4-18(9-17)25(32)27-12-16-5-6-16/h2-4,7-10,13-14,16,21,23,31H,5-6,11-12,15H2,1H3,(H,27,32)(H,28,29)/t21?,23-/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM295979
PNG
(3-{1-[3-methoxy- 4-(1H-pyrazol- 4-yl)benzoyl] pyrr...)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCCC1c1cccc(O)c1
Show InChI InChI=1S/C21H21N3O3/c1-27-20-11-15(7-8-18(20)16-12-22-23-13-16)21(26)24-9-3-6-19(24)14-4-2-5-17(25)10-14/h2,4-5,7-8,10-13,19,25H,3,6,9H2,1H3,(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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM295974
PNG
(3-{1-[3-methoxy- 4-(1H-pyrazol- 4-yl) benzoyl] pyr...)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCCC1c1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C21H22N4O4S/c1-29-20-11-15(7-8-18(20)16-12-23-24-13-16)21(26)25-9-3-6-19(25)14-4-2-5-17(10-14)30(22,27)28/h2,4-5,7-8,10-13,19H,3,6,9H2,1H3,(H,23,24)(H2,22,27,28)
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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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM295974
PNG
(3-{1-[3-methoxy- 4-(1H-pyrazol- 4-yl) benzoyl] pyr...)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCCC1c1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C21H22N4O4S/c1-29-20-11-15(7-8-18(20)16-12-23-24-13-16)21(26)25-9-3-6-19(25)14-4-2-5-17(10-14)30(22,27)28/h2,4-5,7-8,10-13,19H,3,6,9H2,1H3,(H,23,24)(H2,22,27,28)
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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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296030
PNG
(US10112939, Example 69 | US10112939, Example 70)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@@H]1CNC[C@H]1c1ccccc1
Show InChI InChI=1S/C21H22N4O2/c1-27-20-9-15(7-8-17(20)16-10-23-24-11-16)21(26)25-19-13-22-12-18(19)14-5-3-2-4-6-14/h2-11,18-19,22H,12-13H2,1H3,(H,23,24)(H,25,26)/t18-,19+/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296021
PNG
(N-(2,2-difluoroethyl)-3- [(2R)-4-hydroxy-1-[3- met...)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CC(O)C[C@@H]1c1cccc(c1)C(=O)NCC(F)F
Show InChI InChI=1S/C24H24F2N4O4/c1-34-21-8-16(5-6-19(21)17-10-28-29-11-17)24(33)30-13-18(31)9-20(30)14-3-2-4-15(7-14)23(32)27-12-22(25)26/h2-8,10-11,18,20,22,31H,9,12-13H2,1H3,(H,27,32)(H,28,29)/t18?,20-/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296027
PNG
(N-{[3-fluoro-5- (trifluoromethyl)phenyl] methyl}-3...)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CC(O)C[C@@H]1c1cccc(c1)C(=O)NCc1cc(F)cc(c1)C(F)(F)F
Show InChI InChI=1S/C30H26F4N4O4/c1-42-27-10-20(5-6-25(27)21-14-36-37-15-21)29(41)38-16-24(39)12-26(38)18-3-2-4-19(9-18)28(40)35-13-17-7-22(30(32,33)34)11-23(31)8-17/h2-11,14-15,24,26,39H,12-13,16H2,1H3,(H,35,40)(H,36,37)/t24?,26-/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM295993
PNG
(US10112939, Example 34)
Show SMILES CCNC(=O)c1cccc(c1)[C@H]1CCCN1C(=O)c1ccc(-c2cn[nH]c2)c(OC)c1
Show InChI InChI=1S/C24H26N4O3/c1-3-25-23(29)17-7-4-6-16(12-17)21-8-5-11-28(21)24(30)18-9-10-20(22(13-18)31-2)19-14-26-27-15-19/h4,6-7,9-10,12-15,21H,3,5,8,11H2,1-2H3,(H,25,29)(H,26,27)/t21-/m1/s1
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Bristol-Myers Squibb Company

US Patent


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


US Patent US10112939 (2018)

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


(Homo sapiens (Human))
BDBM295998
PNG
(N-(2-hydroxy-2- methylpropyl)-3-[(2R)-1- [3-methox...)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCC[C@@H]1c1cccc(c1)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C26H30N4O4/c1-26(2,33)16-27-24(31)18-7-4-6-17(12-18)22-8-5-11-30(22)25(32)19-9-10-21(23(13-19)34-3)20-14-28-29-15-20/h4,6-7,9-10,12-15,22,33H,5,8,11,16H2,1-3H3,(H,27,31)(H,28,29)/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296053
PNG
(US10112939, Example 93)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1C[C@@H](O)C[C@@H]1c1ccccc1F
Show InChI InChI=1S/C21H20FN3O3/c1-28-20-8-13(6-7-16(20)14-10-23-24-11-14)21(27)25-12-15(26)9-19(25)17-4-2-3-5-18(17)22/h2-8,10-11,15,19,26H,9,12H2,1H3,(H,23,24)/t15-,19+/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296001
PNG
(N-cyclopropyl-3-[(2R)- 1-[3-methoxy-4-(1H- pyrazol...)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCC[C@@H]1c1cccc(c1)C(=O)NC1CC1
Show InChI InChI=1S/C25H26N4O3/c1-32-23-13-18(7-10-21(23)19-14-26-27-15-19)25(31)29-11-3-6-22(29)16-4-2-5-17(12-16)24(30)28-20-8-9-20/h2,4-5,7,10,12-15,20,22H,3,6,8-9,11H2,1H3,(H,26,27)(H,28,30)/t22-/m1/s1
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n/an/a 4.59n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296039
PNG
(US10112939, Example 78)
Show SMILES COc1cc(ccc1Br)C(=O)N1CC(F)C[C@@H]1c1cccc(c1)C(=O)NC1CC1
Show InChI InChI=1S/C22H22BrFN2O3/c1-29-20-10-15(5-8-18(20)23)22(28)26-12-16(24)11-19(26)13-3-2-4-14(9-13)21(27)25-17-6-7-17/h2-5,8-10,16-17,19H,6-7,11-12H2,1H3,(H,25,27)/t16?,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...


US Patent US10112939 (2018)

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


(Homo sapiens (Human))
BDBM295994
PNG
(US10112939, Example 35)
Show SMILES CCNC(=O)c1cccc(c1)C1CCCN1C(=O)c1ccc(-c2cn[nH]c2)c(OC)c1
Show InChI InChI=1S/C24H26N4O3/c1-3-25-23(29)17-7-4-6-16(12-17)21-8-5-11-28(21)24(30)18-9-10-20(22(13-18)31-2)19-14-26-27-15-19/h4,6-7,9-10,12-15,21H,3,5,8,11H2,1-2H3,(H,25,29)(H,26,27)
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n/an/a 4.89n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296014
PNG
(N-cyclobutyl-3-[(2R)-4- hydroxy-1-[3-methoxy-4- (1...)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CC(O)C[C@@H]1c1cccc(c1)C(=O)NC1CCC1
Show InChI InChI=1S/C26H28N4O4/c1-34-24-11-18(8-9-22(24)19-13-27-28-14-19)26(33)30-15-21(31)12-23(30)16-4-2-5-17(10-16)25(32)29-20-6-3-7-20/h2,4-5,8-11,13-14,20-21,23,31H,3,6-7,12,15H2,1H3,(H,27,28)(H,29,32)/t21?,23-/m1/s1
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n/an/a 5.09n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296010
PNG
(3-[(2R)-4-hydroxy-1-[3- methoxy-4-(1H-pyrazol- 4-y...)
Show SMILES COCCNC(=O)c1cccc(c1)[C@H]1CC(O)CN1C(=O)c1ccc(-c2cn[nH]c2)c(OC)c1
Show InChI InChI=1S/C25H28N4O5/c1-33-9-8-26-24(31)17-5-3-4-16(10-17)22-12-20(30)15-29(22)25(32)18-6-7-21(23(11-18)34-2)19-13-27-28-14-19/h3-7,10-11,13-14,20,22,30H,8-9,12,15H2,1-2H3,(H,26,31)(H,27,28)/t20?,22-/m1/s1
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n/an/a 5.10n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296024
PNG
(N-{[2-fluoro-4- (trifluoromethyl)phenyl] methyl}-3...)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CC(O)C[C@@H]1c1cccc(c1)C(=O)NCc1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C30H26F4N4O4/c1-42-27-10-19(6-8-24(27)21-14-36-37-15-21)29(41)38-16-23(39)12-26(38)17-3-2-4-18(9-17)28(40)35-13-20-5-7-22(11-25(20)31)30(32,33)34/h2-11,14-15,23,26,39H,12-13,16H2,1H3,(H,35,40)(H,36,37)/t23?,26-/m1/s1
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n/an/a 5.25n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296019
PNG
(3-[(2R)-4-hydroxy-1-[3- methoxy-4-(1H-pyrazol- 4-y...)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CC(O)C[C@@H]1c1cccc(c1)C(=O)NCc1cc(C)no1
Show InChI InChI=1S/C27H27N5O5/c1-16-8-22(37-31-16)14-28-26(34)18-5-3-4-17(9-18)24-11-21(33)15-32(24)27(35)19-6-7-23(25(10-19)36-2)20-12-29-30-13-20/h3-10,12-13,21,24,33H,11,14-15H2,1-2H3,(H,28,34)(H,29,30)/t21?,24-/m1/s1
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n/an/a 5.32n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296007
PNG
(N-cyclopropyl-3-[(2R)-4- hydroxy-1-[3-methoxy-4- (...)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CC(O)C[C@@H]1c1cccc(c1)C(=O)NC1CC1
Show InChI InChI=1S/C25H26N4O4/c1-33-23-10-17(5-8-21(23)18-12-26-27-13-18)25(32)29-14-20(30)11-22(29)15-3-2-4-16(9-15)24(31)28-19-6-7-19/h2-5,8-10,12-13,19-20,22,30H,6-7,11,14H2,1H3,(H,26,27)(H,28,31)/t20?,22-/m1/s1
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n/an/a 5.32n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296041
PNG
(US10112939, Example 80)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CC(F)(F)C[C@@H]1c1cccc(c1)C(=O)NC1CC1
Show InChI InChI=1S/C25H24F2N4O3/c1-34-22-10-17(5-8-20(22)18-12-28-29-13-18)24(33)31-14-25(26,27)11-21(31)15-3-2-4-16(9-15)23(32)30-19-6-7-19/h2-5,8-10,12-13,19,21H,6-7,11,14H2,1H3,(H,28,29)(H,30,32)/t21-/m1/s1
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n/an/a 5.40n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296046
PNG
(US10112939, Example 86)
Show SMILES COC1C[C@@H](N(C1)C(=O)c1ccc(-c2cn[nH]c2)c(OC)c1)c1cccc(c1)C(=O)NCC1CC1
Show InChI InChI=1S/C27H30N4O4/c1-34-22-12-24(18-4-3-5-19(10-18)26(32)28-13-17-6-7-17)31(16-22)27(33)20-8-9-23(25(11-20)35-2)21-14-29-30-15-21/h3-5,8-11,14-15,17,22,24H,6-7,12-13,16H2,1-2H3,(H,28,32)(H,29,30)/t22?,24-/m1/s1
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n/an/a 5.42n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296000
PNG
(N-(1,1-dioxo-1lambda6- thiolan-3-yl)-3-[(2R)-1- [3...)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCC[C@@H]1c1cccc(c1)C(=O)NC1CCS(=O)(=O)C1
Show InChI InChI=1S/C26H28N4O5S/c1-35-24-13-19(7-8-22(24)20-14-27-28-15-20)26(32)30-10-3-6-23(30)17-4-2-5-18(12-17)25(31)29-21-9-11-36(33,34)16-21/h2,4-5,7-8,12-15,21,23H,3,6,9-11,16H2,1H3,(H,27,28)(H,29,31)/t21?,23-/m1/s1
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n/an/a 5.53n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM295991
PNG
(US10112939, Example 32)
Show SMILES COC(=O)c1cccc(c1)[C@H]1CCCN1C(=O)c1ccc(-c2cn[nH]c2)c(OC)c1
Show InChI InChI=1S/C23H23N3O4/c1-29-21-12-16(8-9-19(21)18-13-24-25-14-18)22(27)26-10-4-7-20(26)15-5-3-6-17(11-15)23(28)30-2/h3,5-6,8-9,11-14,20H,4,7,10H2,1-2H3,(H,24,25)/t20-/m1/s1
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n/an/a 5.83n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296012
PNG
(3-[(2R)-4-hydroxy-1-[3- methoxy-4-(1H-pyrazol- 4-y...)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CC(O)C[C@@H]1c1cccc(c1)C(=O)NC(C)C
Show InChI InChI=1S/C25H28N4O4/c1-15(2)28-24(31)17-6-4-5-16(9-17)22-11-20(30)14-29(22)25(32)18-7-8-21(23(10-18)33-3)19-12-26-27-13-19/h4-10,12-13,15,20,22,30H,11,14H2,1-3H3,(H,26,27)(H,28,31)/t20?,22-/m1/s1
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n/an/a 6.68n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296016
PNG
(3-[(2R)-4-hydroxy-1-[3- methoxy-4-(1H-pyrazol- 4-y...)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CC(O)C[C@@H]1c1cccc(c1)C(=O)NC1CCOCC1
Show InChI InChI=1S/C27H30N4O5/c1-35-25-12-19(5-6-23(25)20-14-28-29-15-20)27(34)31-16-22(32)13-24(31)17-3-2-4-18(11-17)26(33)30-21-7-9-36-10-8-21/h2-6,11-12,14-15,21-22,24,32H,7-10,13,16H2,1H3,(H,28,29)(H,30,33)/t22?,24-/m1/s1
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n/an/a 7.17n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296006
PNG
(3-[(2R)-4-hydroxy-1-[3- methoxy-4-(1H-pyrazol- 4-y...)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CC(O)C[C@@H]1c1cccc(c1)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C26H30N4O5/c1-26(2,34)15-27-24(32)17-6-4-5-16(9-17)22-11-20(31)14-30(22)25(33)18-7-8-21(23(10-18)35-3)19-12-28-29-13-19/h4-10,12-13,20,22,31,34H,11,14-15H2,1-3H3,(H,27,32)(H,28,29)/t20?,22-/m1/s1
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n/an/a 7.29n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296068
PNG
((5R)-5-(1H-Indazol-6-yl)-1-[3-methoxy-4-(1H-pyrazo...)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CC(O)C[C@@H]1c1ccc2cn[nH]c2c1
Show InChI InChI=1S/C22H21N5O3/c1-30-21-7-14(4-5-18(21)16-10-23-24-11-16)22(29)27-12-17(28)8-20(27)13-2-3-15-9-25-26-19(15)6-13/h2-7,9-11,17,20,28H,8,12H2,1H3,(H,23,24)(H,25,26)/t17?,20-/m1/s1
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n/an/a 7.65n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296052
PNG
(US10112939, Example 92)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1C[C@H](O)C[C@@H]1c1ccccc1F
Show InChI InChI=1S/C21H20FN3O3/c1-28-20-8-13(6-7-16(20)14-10-23-24-11-14)21(27)25-12-15(26)9-19(25)17-4-2-3-5-18(17)22/h2-8,10-11,15,19,26H,9,12H2,1H3,(H,23,24)/t15-,19-/m1/s1
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n/an/a 8.03n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296004
PNG
(US10112939, Example 45)
Show SMILES CCNC(=O)c1cccc(c1)[C@H]1CC(O)CN1C(=O)c1ccc(-c2cn[nH]c2)c(OC)c1
Show InChI InChI=1S/C24H26N4O4/c1-3-25-23(30)16-6-4-5-15(9-16)21-11-19(29)14-28(21)24(31)17-7-8-20(22(10-17)32-2)18-12-26-27-13-18/h4-10,12-13,19,21,29H,3,11,14H2,1-2H3,(H,25,30)(H,26,27)/t19?,21-/m1/s1
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n/an/a 8.29n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296048
PNG
(US10112939, Example 88)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1C[C@](C)(O)C[C@@H]1c1cccc(c1)C(=O)NCC1CC1
Show InChI InChI=1S/C27H30N4O4/c1-27(34)12-23(18-4-3-5-19(10-18)25(32)28-13-17-6-7-17)31(16-27)26(33)20-8-9-22(24(11-20)35-2)21-14-29-30-15-21/h3-5,8-11,14-15,17,23,34H,6-7,12-13,16H2,1-2H3,(H,28,32)(H,29,30)/t23-,27-/m1/s1
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n/an/a 10.6n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM295990
PNG
(4-{4-[(2R)-2-(3-Methanesulfonylphenyl)pyrrolidine-...)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCC[C@@H]1c1cccc(c1)S(C)(=O)=O
Show InChI InChI=1S/C22H23N3O4S/c1-29-21-12-16(8-9-19(21)17-13-23-24-14-17)22(26)25-10-4-7-20(25)15-5-3-6-18(11-15)30(2,27)28/h3,5-6,8-9,11-14,20H,4,7,10H2,1-2H3,(H,23,24)/t20-/m1/s1
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n/an/a 11.6n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM295962
PNG
(4-{2-methoxy- 4-[2-(3- methoxyphenyl) pyrrolidine-...)
Show SMILES COc1cccc(c1)C1CCCN1C(=O)c1ccc(-c2cn[nH]c2)c(OC)c1
Show InChI InChI=1S/C22H23N3O3/c1-27-18-6-3-5-15(11-18)20-7-4-10-25(20)22(26)16-8-9-19(21(12-16)28-2)17-13-23-24-14-17/h3,5-6,8-9,11-14,20H,4,7,10H2,1-2H3,(H,23,24)
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n/an/a 12.6n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM295978
PNG
(4-{4-[2-(2- fluorophenyl) pyrrolidine-1- carbonyl]...)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCCC1c1ccccc1F
Show InChI InChI=1S/C21H20FN3O2/c1-27-20-11-14(8-9-16(20)15-12-23-24-13-15)21(26)25-10-4-7-19(25)17-5-2-3-6-18(17)22/h2-3,5-6,8-9,11-13,19H,4,7,10H2,1H3,(H,23,24)
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n/an/a 14.7n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296072
PNG
(US10112939, Example 112)
Show SMILES CCNS(=O)(=O)c1cccc(c1)[C@H]1CCCN1C(=O)c1ccc(-c2cn[nH]c2)c(OC)c1
Show InChI InChI=1S/C23H26N4O4S/c1-3-26-32(29,30)19-7-4-6-16(12-19)21-8-5-11-27(21)23(28)17-9-10-20(22(13-17)31-2)18-14-24-25-15-18/h4,6-7,9-10,12-15,21,26H,3,5,8,11H2,1-2H3,(H,24,25)/t21-/m1/s1
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n/an/a 15.2n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM295987
PNG
(4-{4-[2-(2- chlorophenyl) pyrrolidine- 1-carbonyl]...)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCCC1c1ccccc1Cl
Show InChI InChI=1S/C21H20ClN3O2/c1-27-20-11-14(8-9-16(20)15-12-23-24-13-15)21(26)25-10-4-7-19(25)17-5-2-3-6-18(17)22/h2-3,5-6,8-9,11-13,19H,4,7,10H2,1H3,(H,23,24)
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n/an/a 15.8n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296005
PNG
(3-[(2R)-4-hydroxy-1-[3- methoxy-4-(1H-pyrazol- 4-y...)
Show SMILES CNC(=O)c1cccc(c1)[C@H]1CC(O)CN1C(=O)c1ccc(-c2cn[nH]c2)c(OC)c1
Show InChI InChI=1S/C23H24N4O4/c1-24-22(29)15-5-3-4-14(8-15)20-10-18(28)13-27(20)23(30)16-6-7-19(21(9-16)31-2)17-11-25-26-12-17/h3-9,11-12,18,20,28H,10,13H2,1-2H3,(H,24,29)(H,25,26)/t18?,20-/m1/s1
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n/an/a 18.2n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296045
PNG
(3-fluoro-4-{2- methoxy-4- [2-(3- methoxyphenyl) py...)
Show SMILES COc1cccc(c1)C1CCCN1C(=O)c1ccc(c(OC)c1)-c1ccncc1F
Show InChI InChI=1S/C24H23FN2O3/c1-29-18-6-3-5-16(13-18)22-7-4-12-27(22)24(28)17-8-9-20(23(14-17)30-2)19-10-11-26-15-21(19)25/h3,5-6,8-11,13-15,22H,4,7,12H2,1-2H3
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n/an/a 24.1n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296040
PNG
(US10112939, Example 79)
Show SMILES COc1cc(ccc1-c1ccncc1)C(=O)N1CC(F)(F)C[C@@H]1c1cccc(c1)C(=O)NC1CC1
Show InChI InChI=1S/C27H25F2N3O3/c1-35-24-14-20(5-8-22(24)17-9-11-30-12-10-17)26(34)32-16-27(28,29)15-23(32)18-3-2-4-19(13-18)25(33)31-21-6-7-21/h2-5,8-14,21,23H,6-7,15-16H2,1H3,(H,31,33)/t23-/m1/s1
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n/an/a 24.3n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296055
PNG
((3S,5R)-1-[3-(Difluoromethoxy)-4-(1H-pyrazol-4-yl)...)
Show SMILES O[C@H]1C[C@@H](N(C1)C(=O)c1ccc(-c2cn[nH]c2)c(OC(F)F)c1)c1ccccc1F
Show InChI InChI=1S/C21H18F3N3O3/c22-17-4-2-1-3-16(17)18-8-14(28)11-27(18)20(29)12-5-6-15(13-9-25-26-10-13)19(7-12)30-21(23)24/h1-7,9-10,14,18,21,28H,8,11H2,(H,25,26)/t14-,18+/m0/s1
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n/an/a 28.4n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM295973
PNG
(4-{4-[2-(3- bromophenyl) pyrrolidine- 1-carbonyl]-...)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCCC1c1cccc(Br)c1
Show InChI InChI=1S/C21H20BrN3O2/c1-27-20-11-15(7-8-18(20)16-12-23-24-13-16)21(26)25-9-3-6-19(25)14-4-2-5-17(22)10-14/h2,4-5,7-8,10-13,19H,3,6,9H2,1H3,(H,23,24)
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n/an/a 31n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM295962
PNG
(4-{2-methoxy- 4-[2-(3- methoxyphenyl) pyrrolidine-...)
Show SMILES COc1cccc(c1)C1CCCN1C(=O)c1ccc(-c2cn[nH]c2)c(OC)c1
Show InChI InChI=1S/C22H23N3O3/c1-27-18-6-3-5-15(11-18)20-7-4-10-25(20)22(26)16-8-9-19(21(12-16)28-2)17-13-23-24-14-17/h3,5-6,8-9,11-14,20H,4,7,10H2,1-2H3,(H,23,24)
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n/an/a 31.8n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM295963
PNG
(N-(2,3-dihydro- 1H-inden- 1-yl)-3- methoxy-4- (1H-...)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)NC1CCc2ccccc12
Show InChI InChI=1S/C20H19N3O2/c1-25-19-10-14(6-8-17(19)15-11-21-22-12-15)20(24)23-18-9-7-13-4-2-3-5-16(13)18/h2-6,8,10-12,18H,7,9H2,1H3,(H,21,22)(H,23,24)
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n/an/a 32.2n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM295977
PNG
(4-{4-[2-(4- fluorophenyl) pyrrolidine- 1-carbonyl]...)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCCC1c1ccc(F)cc1
Show InChI InChI=1S/C21H20FN3O2/c1-27-20-11-15(6-9-18(20)16-12-23-24-13-16)21(26)25-10-2-3-19(25)14-4-7-17(22)8-5-14/h4-9,11-13,19H,2-3,10H2,1H3,(H,23,24)
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n/an/a 41.4n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296008
PNG
(N-{[(2S)-1- ethylpyrrolidin-2- yl]methyl}-3-[(2R)-...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1cccc(c1)[C@H]1CC(O)CN1C(=O)c1ccc(-c2cn[nH]c2)c(OC)c1
Show InChI InChI=1S/C29H35N5O4/c1-3-33-11-5-8-23(33)17-30-28(36)20-7-4-6-19(12-20)26-14-24(35)18-34(26)29(37)21-9-10-25(27(13-21)38-2)22-15-31-32-16-22/h4,6-7,9-10,12-13,15-16,23-24,26,35H,3,5,8,11,14,17-18H2,1-2H3,(H,30,36)(H,31,32)/t23-,24?,26+/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296017
PNG
(3-[(2R)-4-hydroxy-1-[3- methoxy-4-(1H-pyrazol- 4-y...)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CC(O)C[C@@H]1c1cccc(c1)C(=O)NC1(C)CC1
Show InChI InChI=1S/C26H28N4O4/c1-26(8-9-26)29-24(32)17-5-3-4-16(10-17)22-12-20(31)15-30(22)25(33)18-6-7-21(23(11-18)34-2)19-13-27-28-14-19/h3-7,10-11,13-14,20,22,31H,8-9,12,15H2,1-2H3,(H,27,28)(H,29,32)/t20?,22-/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296055
PNG
((3S,5R)-1-[3-(Difluoromethoxy)-4-(1H-pyrazol-4-yl)...)
Show SMILES O[C@H]1C[C@@H](N(C1)C(=O)c1ccc(-c2cn[nH]c2)c(OC(F)F)c1)c1ccccc1F
Show InChI InChI=1S/C21H18F3N3O3/c22-17-4-2-1-3-16(17)18-8-14(28)11-27(18)20(29)12-5-6-15(13-9-25-26-10-13)19(7-12)30-21(23)24/h1-7,9-10,14,18,21,28H,8,11H2,(H,25,26)/t14-,18+/m0/s1
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n/an/a 44.1n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296002
PNG
(US10112939, Example 43 | US10112939, Example 44)
Show SMILES COC(=O)c1cccc(c1)[C@H]1CC(CN1C(=O)c1ccc(-c2cn[nH]c2)c(OC)c1)OC(C)=O
Show InChI InChI=1S/C25H25N3O6/c1-15(29)34-20-11-22(16-5-4-6-18(9-16)25(31)33-3)28(14-20)24(30)17-7-8-21(23(10-17)32-2)19-12-26-27-13-19/h4-10,12-13,20,22H,11,14H2,1-3H3,(H,26,27)/t20?,22-/m1/s1
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n/an/a 49.7n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM295984
PNG
(4-[2-methoxy-4- (2-phenyl- pyrrolidine-1- carbonyl...)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCCC1c1ccccc1
Show InChI InChI=1S/C21H21N3O2/c1-26-20-12-16(9-10-18(20)17-13-22-23-14-17)21(25)24-11-5-8-19(24)15-6-3-2-4-7-15/h2-4,6-7,9-10,12-14,19H,5,8,11H2,1H3,(H,22,23)
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n/an/a 50.5n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296002
PNG
(US10112939, Example 43 | US10112939, Example 44)
Show SMILES COC(=O)c1cccc(c1)[C@H]1CC(CN1C(=O)c1ccc(-c2cn[nH]c2)c(OC)c1)OC(C)=O
Show InChI InChI=1S/C25H25N3O6/c1-15(29)34-20-11-22(16-5-4-6-18(9-16)25(31)33-3)28(14-20)24(30)17-7-8-21(23(10-17)32-2)19-12-26-27-13-19/h4-10,12-13,20,22H,11,14H2,1-3H3,(H,26,27)/t20?,22-/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296032
PNG
(4-(2-Methoxy-4-{2-[3-(1H-pyrazol-4-yl)phenyl]pyrro...)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCCC1c1cccc(c1)-c1cn[nH]c1
Show InChI InChI=1S/C24H23N5O2/c1-31-23-11-18(7-8-21(23)20-14-27-28-15-20)24(30)29-9-3-6-22(29)17-5-2-4-16(10-17)19-12-25-26-13-19/h2,4-5,7-8,10-15,22H,3,6,9H2,1H3,(H,25,26)(H,27,28)
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n/an/a 54.9n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296051
PNG
(US10112939, Example 91)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CC(C[C@@H]1c1ccccc1F)OC(C)=O
Show InChI InChI=1S/C23H22FN3O4/c1-14(28)31-17-10-21(19-5-3-4-6-20(19)24)27(13-17)23(29)15-7-8-18(22(9-15)30-2)16-11-25-26-12-16/h3-9,11-12,17,21H,10,13H2,1-2H3,(H,25,26)/t17?,21-/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296043
PNG
(1-(3-methoxy-4- {1H-pyrrolo[2,3- b]pyridin-4- yl}b...)
Show SMILES COc1cccc(c1)C1CCCN1C(=O)c1ccc(c(OC)c1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C26H25N3O3/c1-31-19-6-3-5-17(15-19)23-7-4-14-29(23)26(30)18-8-9-21(24(16-18)32-2)20-10-12-27-25-22(20)11-13-28-25/h3,5-6,8-13,15-16,23H,4,7,14H2,1-2H3,(H,27,28)
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n/an/a 56.8n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296029
PNG
(US10112939, Example 68)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCN(CC1c1ccccc1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C26H30N4O4/c1-26(2,3)34-25(32)29-12-13-30(22(17-29)18-8-6-5-7-9-18)24(31)19-10-11-21(23(14-19)33-4)20-15-27-28-16-20/h5-11,14-16,22H,12-13,17H2,1-4H3,(H,27,28)
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n/an/a 60.2n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM295986
PNG
(4-{2-methoxy-4- [2-(3-methyl- phenyl) pyrrolidine-...)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCCC1c1cccc(C)c1
Show InChI InChI=1S/C22H23N3O2/c1-15-5-3-6-16(11-15)20-7-4-10-25(20)22(26)17-8-9-19(21(12-17)27-2)18-13-23-24-14-18/h3,5-6,8-9,11-14,20H,4,7,10H2,1-2H3,(H,23,24)
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n/an/a 61.4n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296063
PNG
(US10112939, Example 103)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCCC1c1cccc(OCc2cc(C)on2)c1
Show InChI InChI=1S/C26H26N4O4/c1-17-11-21(29-34-17)16-33-22-6-3-5-18(12-22)24-7-4-10-30(24)26(31)19-8-9-23(25(13-19)32-2)20-14-27-28-15-20/h3,5-6,8-9,11-15,24H,4,7,10,16H2,1-2H3,(H,27,28)
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n/an/a 62n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296061
PNG
(US10112939, Example 101)
Show SMILES CCc1cc(ccc1-c1cn[nH]c1)C(=O)N1CC(O)C[C@@H]1c1ccccc1F
Show InChI InChI=1S/C22H22FN3O2/c1-2-14-9-15(7-8-18(14)16-11-24-25-12-16)22(28)26-13-17(27)10-21(26)19-5-3-4-6-20(19)23/h3-9,11-12,17,21,27H,2,10,13H2,1H3,(H,24,25)/t17?,21-/m1/s1
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n/an/a 65.1n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM295988
PNG
(4-{2-methoxy-4- [2-(naphthalen- 2-yl)pyrrolidine- ...)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCCC1c1ccc2ccccc2c1
Show InChI InChI=1S/C25H23N3O2/c1-30-24-14-20(10-11-22(24)21-15-26-27-16-21)25(29)28-12-4-7-23(28)19-9-8-17-5-2-3-6-18(17)13-19/h2-3,5-6,8-11,13-16,23H,4,7,12H2,1H3,(H,26,27)
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n/an/a 68.3n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296054
PNG
((3R,5R)-1-[3-(Difluoromethoxy)-4-(1H-pyrazol-4-yl)...)
Show SMILES O[C@@H]1C[C@@H](N(C1)C(=O)c1ccc(-c2cn[nH]c2)c(OC(F)F)c1)c1ccccc1F
Show InChI InChI=1S/C21H18F3N3O3/c22-17-4-2-1-3-16(17)18-8-14(28)11-27(18)20(29)12-5-6-15(13-9-25-26-10-13)19(7-12)30-21(23)24/h1-7,9-10,14,18,21,28H,8,11H2,(H,25,26)/t14-,18-/m1/s1
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n/an/a 73.3n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM295989
PNG
(4-{4-[2-(2H- 1,3-benzodioxol- 5-yl)pyrrolidine- 1-...)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCCC1c1ccc2OCOc2c1
Show InChI InChI=1S/C22H21N3O4/c1-27-20-10-15(4-6-17(20)16-11-23-24-12-16)22(26)25-8-2-3-18(25)14-5-7-19-21(9-14)29-13-28-19/h4-7,9-12,18H,2-3,8,13H2,1H3,(H,23,24)
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n/an/a 75.3n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM295966
PNG
(2-(2-fluorophenyl)- 1-[3-methoxy- 4-(1H-pyrazol- 4...)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCCCC1c1ccccc1F
Show InChI InChI=1S/C22H22FN3O2/c1-28-21-12-15(9-10-17(21)16-13-24-25-14-16)22(27)26-11-5-4-8-20(26)18-6-2-3-7-19(18)23/h2-3,6-7,9-10,12-14,20H,4-5,8,11H2,1H3,(H,24,25)
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n/an/a 85.8n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296050
PNG
(US10112939, Example 90)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CC(O)C[C@@H]1c1cccc(c1)S(C)(=O)=O
Show InChI InChI=1S/C22H23N3O5S/c1-30-21-9-15(6-7-19(21)16-11-23-24-12-16)22(27)25-13-17(26)10-20(25)14-4-3-5-18(8-14)31(2,28)29/h3-9,11-12,17,20,26H,10,13H2,1-2H3,(H,23,24)/t17?,20-/m1/s1
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n/an/a 86n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296026
PNG
((5R)-5-[3-(3,3- difluoroazetidine-1- carbonyl)phen...)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CC(O)C[C@@H]1c1cccc(c1)C(=O)N1CC(F)(F)C1
Show InChI InChI=1S/C25H24F2N4O4/c1-35-22-8-17(5-6-20(22)18-10-28-29-11-18)24(34)31-12-19(32)9-21(31)15-3-2-4-16(7-15)23(33)30-13-25(26,27)14-30/h2-8,10-11,19,21,32H,9,12-14H2,1H3,(H,28,29)/t19?,21-/m1/s1
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n/an/a 91.4n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296013
PNG
(3-[(2R)-4-hydroxy-1-[3- methoxy-4-(1H-pyrazol- 4-y...)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CC(O)C[C@@H]1c1cccc(c1)C(=O)NC1(C)CCC1
Show InChI InChI=1S/C27H30N4O4/c1-27(9-4-10-27)30-25(33)18-6-3-5-17(11-18)23-13-21(32)16-31(23)26(34)19-7-8-22(24(12-19)35-2)20-14-28-29-15-20/h3,5-8,11-12,14-15,21,23,32H,4,9-10,13,16H2,1-2H3,(H,28,29)(H,30,33)/t21?,23-/m1/s1
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n/an/a 102n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296022
PNG
(1-{3-[(2R)-4-hydroxy-1- [3-methoxy-4-(1H- pyrazol-...)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CC(O)C[C@@H]1c1cccc(c1)C(=O)N1CC(C1)C#N
Show InChI InChI=1S/C26H25N5O4/c1-35-24-8-19(5-6-22(24)20-11-28-29-12-20)26(34)31-15-21(32)9-23(31)17-3-2-4-18(7-17)25(33)30-13-16(10-27)14-30/h2-8,11-12,16,21,23,32H,9,13-15H2,1H3,(H,28,29)/t21?,23-/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM295968
PNG
(4-{4-[2-(4- chlorophenyl) pyrrolidine-1- carbonyl]...)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCCC1c1ccc(Cl)cc1
Show InChI InChI=1S/C21H20ClN3O2/c1-27-20-11-15(6-9-18(20)16-12-23-24-13-16)21(26)25-10-2-3-19(25)14-4-7-17(22)8-5-14/h4-9,11-13,19H,2-3,10H2,1H3,(H,23,24)
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n/an/a 114n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM295980
PNG
(4-(2-methoxy- 4-{2-[4- (trifluoromethyl) phenyl] p...)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCCC1c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H20F3N3O2/c1-30-20-11-15(6-9-18(20)16-12-26-27-13-16)21(29)28-10-2-3-19(28)14-4-7-17(8-5-14)22(23,24)25/h4-9,11-13,19H,2-3,10H2,1H3,(H,26,27)
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n/an/a 125n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM295992
PNG
(US10112939, Example 33)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCC[C@@H]1c1cccc(c1)C(O)=O
Show InChI InChI=1S/C22H21N3O4/c1-29-20-11-15(7-8-18(20)17-12-23-24-13-17)21(26)25-9-3-6-19(25)14-4-2-5-16(10-14)22(27)28/h2,4-5,7-8,10-13,19H,3,6,9H2,1H3,(H,23,24)(H,27,28)/t19-/m1/s1
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n/an/a 151n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296044
PNG
(2-fluoro-4-{2- methoxy-4-[2- (3-methoxyphenyl) pyr...)
Show SMILES COc1cccc(c1)C1CCCN1C(=O)c1ccc(c(OC)c1)-c1ccnc(F)c1
Show InChI InChI=1S/C24H23FN2O3/c1-29-19-6-3-5-17(13-19)21-7-4-12-27(21)24(28)18-8-9-20(22(14-18)30-2)16-10-11-26-23(25)15-16/h3,5-6,8-11,13-15,21H,4,7,12H2,1-2H3
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n/an/a 153n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296042
PNG
(US10112939, Example 81)
Show SMILES COc1cccc(c1)C1CCCN1C(=O)c1ccc(c(OC)c1)-c1ccnc(N)c1
Show InChI InChI=1S/C24H25N3O3/c1-29-19-6-3-5-17(13-19)21-7-4-12-27(21)24(28)18-8-9-20(22(14-18)30-2)16-10-11-26-23(25)15-16/h3,5-6,8-11,13-15,21H,4,7,12H2,1-2H3,(H2,25,26)
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n/an/a 158n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM295972
PNG
(4-[4(2- benzyl- pyrrolidine- 1-carbonyl)-2- methox...)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCCC1Cc1ccccc1
Show InChI InChI=1S/C22H23N3O2/c1-27-21-13-17(9-10-20(21)18-14-23-24-15-18)22(26)25-11-5-8-19(25)12-16-6-3-2-4-7-16/h2-4,6-7,9-10,13-15,19H,5,8,11-12H2,1H3,(H,23,24)
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n/an/a 183n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296025
PNG
((5R)-5-[3-(3- fluoroazetidine-1- carbonyl)phenyl]-...)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CC(O)C[C@@H]1c1cccc(c1)C(=O)N1CC(F)C1
Show InChI InChI=1S/C25H25FN4O4/c1-34-23-8-17(5-6-21(23)18-10-27-28-11-18)25(33)30-14-20(31)9-22(30)15-3-2-4-16(7-15)24(32)29-12-19(26)13-29/h2-8,10-11,19-20,22,31H,9,12-14H2,1H3,(H,27,28)/t20?,22-/m1/s1
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n/an/a 204n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM295981
PNG
(4-{2-methoxy-4- [2-(4-methyl- phenyl) pyrrolidine-...)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCCC1c1ccc(C)cc1
Show InChI InChI=1S/C22H23N3O2/c1-15-5-7-16(8-6-15)20-4-3-11-25(20)22(26)17-9-10-19(21(12-17)27-2)18-13-23-24-14-18/h5-10,12-14,20H,3-4,11H2,1-2H3,(H,23,24)
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n/an/a 215n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296060
PNG
(US10112939, Example 100)
Show SMILES COc1cccc(c1)C1CCCN1C(=O)c1ccc(-c2cn[nH]c2)c(c1)C(C)O
Show InChI InChI=1S/C23H25N3O3/c1-15(27)21-12-17(8-9-20(21)18-13-24-25-14-18)23(28)26-10-4-7-22(26)16-5-3-6-19(11-16)29-2/h3,5-6,8-9,11-15,22,27H,4,7,10H2,1-2H3,(H,24,25)
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n/an/a 228n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296065
PNG
(US10112939, Example 105)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCCC1c1cccc(NC2CCN(C)CC2)c1
Show InChI InChI=1S/C27H33N5O2/c1-31-13-10-22(11-14-31)30-23-6-3-5-19(15-23)25-7-4-12-32(25)27(33)20-8-9-24(26(16-20)34-2)21-17-28-29-18-21/h3,5-6,8-9,15-18,22,25,30H,4,7,10-14H2,1-2H3,(H,28,29)
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n/an/a 278n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296028
PNG
((5R)-5-[3-(azetidine-1- carbonyl)phenyl]-1-[3- met...)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CC(O)C[C@@H]1c1cccc(c1)C(=O)N1CCC1
Show InChI InChI=1S/C25H26N4O4/c1-33-23-11-18(6-7-21(23)19-13-26-27-14-19)25(32)29-15-20(30)12-22(29)16-4-2-5-17(10-16)24(31)28-8-3-9-28/h2,4-7,10-11,13-14,20,22,30H,3,8-9,12,15H2,1H3,(H,26,27)/t20?,22-/m1/s1
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n/an/a 293n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296023
PNG
((5R)-1-[3-methoxy-4- (1H-pyrazol-4- yl)benzoyl]-5-...)
Show SMILES COC1CN(C1)C(=O)c1cccc(c1)[C@H]1CC(O)CN1C(=O)c1ccc(-c2cn[nH]c2)c(OC)c1
Show InChI InChI=1S/C26H28N4O5/c1-34-21-14-29(15-21)25(32)17-5-3-4-16(8-17)23-10-20(31)13-30(23)26(33)18-6-7-22(24(9-18)35-2)19-11-27-28-12-19/h3-9,11-12,20-21,23,31H,10,13-15H2,1-2H3,(H,27,28)/t20?,23-/m1/s1
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n/an/a 316n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296037
PNG
(4-(4-{2-[3-(furan- 3-yl)phenyl]pyrrolidine-1- carb...)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCCC1c1cccc(c1)-c1ccoc1
Show InChI InChI=1S/C25H23N3O3/c1-30-24-13-19(7-8-22(24)21-14-26-27-15-21)25(29)28-10-3-6-23(28)18-5-2-4-17(12-18)20-9-11-31-16-20/h2,4-5,7-9,11-16,23H,3,6,10H2,1H3,(H,26,27)
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n/an/a 320n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM295983
PNG
(4-{2-methoxy-4- [2-(4- methoxyphenyl) pyrrolidine-...)
Show SMILES COc1ccc(cc1)C1CCCN1C(=O)c1ccc(-c2cn[nH]c2)c(OC)c1
Show InChI InChI=1S/C22H23N3O3/c1-27-18-8-5-15(6-9-18)20-4-3-11-25(20)22(26)16-7-10-19(21(12-16)28-2)17-13-23-24-14-17/h5-10,12-14,20H,3-4,11H2,1-2H3,(H,23,24)
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n/an/a 331n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM295960
PNG
(4-[2-methoxy- 4-(3- phenyl- pyrrolidine-1- carbony...)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCC(C1)c1ccccc1
Show InChI InChI=1S/C21H21N3O2/c1-26-20-11-16(7-8-19(20)18-12-22-23-13-18)21(25)24-10-9-17(14-24)15-5-3-2-4-6-15/h2-8,11-13,17H,9-10,14H2,1H3,(H,22,23)
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n/an/a 355n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296062
PNG
(4-(4-{2-[3-(2,2-Difluoroethoxy)phenyl]pyrrolidine-...)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCCC1c1cccc(OCC(F)F)c1
Show InChI InChI=1S/C23H23F2N3O3/c1-30-21-11-16(7-8-19(21)17-12-26-27-13-17)23(29)28-9-3-6-20(28)15-4-2-5-18(10-15)31-14-22(24)25/h2,4-5,7-8,10-13,20,22H,3,6,9,14H2,1H3,(H,26,27)
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n/an/a 411n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296047
PNG
(US10112939, Example 87)
Show SMILES COC1C[C@@H](N(C1)C(=O)c1ccc(-c2cn[nH]c2)c(OC)c1)c1cccc(c1)C(=O)N(C)CC1CC1
Show InChI InChI=1S/C28H32N4O4/c1-31(16-18-7-8-18)27(33)20-6-4-5-19(11-20)25-13-23(35-2)17-32(25)28(34)21-9-10-24(26(12-21)36-3)22-14-29-30-15-22/h4-6,9-12,14-15,18,23,25H,7-8,13,16-17H2,1-3H3,(H,29,30)/t23?,25-/m1/s1
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n/an/a 461n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296070
PNG
(US10112939, Example 110)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1
Show InChI InChI=1S/C22H22N4O3/c1-29-20-12-15(9-10-18(20)16-13-23-24-14-16)22(28)26-11-5-8-19(26)21(27)25-17-6-3-2-4-7-17/h2-4,6-7,9-10,12-14,19H,5,8,11H2,1H3,(H,23,24)(H,25,27)/t19-/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296071
PNG
(US10112939, Example 111)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCC[C@@H]1C(=O)N1CCc2ccccc12
Show InChI InChI=1S/C24H24N4O3/c1-31-22-13-17(8-9-19(22)18-14-25-26-15-18)23(29)27-11-4-7-21(27)24(30)28-12-10-16-5-2-3-6-20(16)28/h2-3,5-6,8-9,13-15,21H,4,7,10-12H2,1H3,(H,25,26)/t21-/m1/s1
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Bristol-Myers Squibb Company

US Patent


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


US Patent US10112939 (2018)

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


(Homo sapiens (Human))
BDBM295964
PNG
(4-{2-methoxy- 4-[2-(2- methoxyphenyl) pyrrolidine-...)
Show SMILES COc1ccccc1C1CCCN1C(=O)c1ccc(-c2cn[nH]c2)c(OC)c1
Show InChI InChI=1S/C22H23N3O3/c1-27-20-8-4-3-6-18(20)19-7-5-11-25(19)22(26)15-9-10-17(21(12-15)28-2)16-13-23-24-14-16/h3-4,6,8-10,12-14,19H,5,7,11H2,1-2H3,(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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296059
PNG
((5R)-5-(3- methanesulfonyl- phenyl)-1-(4- {1H-pyrr...)
Show SMILES CS(=O)(=O)c1cccc(c1)C1CC(O)CN1C(=O)c1ccc(cc1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C25H23N3O4S/c1-33(31,32)20-4-2-3-18(13-20)23-14-19(29)15-28(23)25(30)17-7-5-16(6-8-17)21-9-11-26-24-22(21)10-12-27-24/h2-13,19,23,29H,14-15H2,1H3,(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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296056
PNG
(5-[(2R,4R)-2-(2-Fluorophenyl)-4-hydroxypyrrolidine...)
Show SMILES O[C@@H]1C[C@@H](N(C1)C(=O)c1ccc(-c2cn[nH]c2)c(c1)C#N)c1ccccc1F
Show InChI InChI=1S/C21H17FN4O2/c22-19-4-2-1-3-18(19)20-8-16(27)12-26(20)21(28)13-5-6-17(14(7-13)9-23)15-10-24-25-11-15/h1-7,10-11,16,20,27H,8,12H2,(H,24,25)/t16-,20-/m1/s1
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n/an/a 667n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM295967
PNG
(1-[3-methoxy-4- (1H- pyrazol-4-yl) benzoyl]-2- (3-...)
Show SMILES COc1cccc(c1)C1CCCCN1C(=O)c1ccc(-c2cn[nH]c2)c(OC)c1
Show InChI InChI=1S/C23H25N3O3/c1-28-19-7-5-6-16(12-19)21-8-3-4-11-26(21)23(27)17-9-10-20(22(13-17)29-2)18-14-24-25-15-18/h5-7,9-10,12-15,21H,3-4,8,11H2,1-2H3,(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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296057
PNG
(5-[(2R)-2-(2-Fluorophenyl)-4-hydroxypyrrolidine-1-...)
Show SMILES O[C@H]1C[C@@H](N(C1)C(=O)c1ccc(-c2cn[nH]c2)c(c1)C#N)c1ccccc1F
Show InChI InChI=1S/C21H17FN4O2/c22-19-4-2-1-3-18(19)20-8-16(27)12-26(20)21(28)13-5-6-17(14(7-13)9-23)15-10-24-25-11-15/h1-7,10-11,16,20,27H,8,12H2,(H,24,25)/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296058
PNG
(US10112939, Example 98)
Show SMILES COc1cc(ccc1C(=O)N1C[C@H](O)C[C@@H]1c1ccccc1F)-c1cn[nH]c1
Show InChI InChI=1S/C21H20FN3O3/c1-28-20-8-13(14-10-23-24-11-14)6-7-17(20)21(27)25-12-15(26)9-19(25)16-4-2-3-5-18(16)22/h2-8,10-11,15,19,26H,9,12H2,1H3,(H,23,24)/t15-,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...


US Patent US10112939 (2018)

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


(Homo sapiens (Human))
BDBM295999
PNG
(3-[(2R)-1-[3-methoxy-4- (1H-pyrazol-4- yl)benzoyl]...)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCC[C@@H]1c1cccc(c1)C(=O)N(C)C
Show InChI InChI=1S/C24H26N4O3/c1-27(2)23(29)17-7-4-6-16(12-17)21-8-5-11-28(21)24(30)18-9-10-20(22(13-18)31-3)19-14-25-26-15-19/h4,6-7,9-10,12-15,21H,5,8,11H2,1-3H3,(H,25,26)/t21-/m1/s1
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Bristol-Myers Squibb Company

US Patent


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


US Patent US10112939 (2018)

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


(Homo sapiens (Human))
BDBM295995
PNG
(3-{1-[3-methoxy-4-(1H- pyrazol-4-yl)benzoyl] pyrro...)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCCC1c1cccc(c1)C(=O)NC1CCN(C)CC1
Show InChI InChI=1S/C28H33N5O3/c1-32-13-10-23(11-14-32)31-27(34)20-6-3-5-19(15-20)25-7-4-12-33(25)28(35)21-8-9-24(26(16-21)36-2)22-17-29-30-18-22/h3,5-6,8-9,15-18,23,25H,4,7,10-14H2,1-2H3,(H,29,30)(H,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...


US Patent US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296049
PNG
(US10112939, Example 89)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CC(C[C@@H]1c1cccc(c1)S(C)(=O)=O)OC(C)=O
Show InChI InChI=1S/C24H25N3O6S/c1-15(28)33-19-11-22(16-5-4-6-20(9-16)34(3,30)31)27(14-19)24(29)17-7-8-21(23(10-17)32-2)18-12-25-26-13-18/h4-10,12-13,19,22H,11,14H2,1-3H3,(H,25,26)/t19?,22-/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM295959
PNG
(US10112939, Example 1)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCCCC1c1ccccc1
Show InChI InChI=1S/C22H23N3O2/c1-27-21-13-17(10-11-19(21)18-14-23-24-15-18)22(26)25-12-6-5-9-20(25)16-7-3-2-4-8-16/h2-4,7-8,10-11,13-15,20H,5-6,9,12H2,1H3,(H,23,24)
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n/an/a 789n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM295971
PNG
(1-[3-methoxy- 4-(1H- pyrazol-4- yl)benzoyl]- 2,3-d...)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCc2ccccc12
Show InChI InChI=1S/C19H17N3O2/c1-24-18-10-14(6-7-16(18)15-11-20-21-12-15)19(23)22-9-8-13-4-2-3-5-17(13)22/h2-7,10-12H,8-9H2,1H3,(H,20,21)
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n/an/a 800n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296038
PNG
(4-(2-methoxy-4-{2-[3-(1H- pyrazol-5-yl)phenyl] pyr...)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCCC1c1cccc(c1)-c1ccn[nH]1
Show InChI InChI=1S/C24H23N5O2/c1-31-23-13-18(7-8-20(23)19-14-26-27-15-19)24(30)29-11-3-6-22(29)17-5-2-4-16(12-17)21-9-10-25-28-21/h2,4-5,7-10,12-15,22H,3,6,11H2,1H3,(H,25,28)(H,26,27)
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n/an/a 887n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296035
PNG
(1-[4-(3-{1-[3-methoxy-4- (1H-pyrazol-4-yl)benzoyl]...)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCCC1c1cccc(c1)-c1cnn(CC(C)(C)O)c1
Show InChI InChI=1S/C28H31N5O3/c1-28(2,35)18-32-17-23(16-31-32)19-6-4-7-20(12-19)25-8-5-11-33(25)27(34)21-9-10-24(26(13-21)36-3)22-14-29-30-15-22/h4,6-7,9-10,12-17,25,35H,5,8,11,18H2,1-3H3,(H,29,30)
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n/an/a 901n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296069
PNG
((5R)-5-(3-Iodo-1H-indazol-6-yl)-1-[3-methoxy-4-(1H...)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CC(O)C[C@@H]1c1ccc2c(I)n[nH]c2c1
Show InChI InChI=1S/C22H20IN5O3/c1-31-20-7-13(3-4-16(20)14-9-24-25-10-14)22(30)28-11-15(29)8-19(28)12-2-5-17-18(6-12)26-27-21(17)23/h2-7,9-10,15,19,29H,8,11H2,1H3,(H,24,25)(H,26,27)/t15?,19-/m1/s1
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n/an/a 902n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM295982
PNG
(US10112939, Example 24 | tert-butyl (2R)- 1-[3-met...)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCC[C@@H]1C(=O)OC(C)(C)C
Show InChI InChI=1S/C20H25N3O4/c1-20(2,3)27-19(25)16-6-5-9-23(16)18(24)13-7-8-15(17(10-13)26-4)14-11-21-22-12-14/h7-8,10-12,16H,5-6,9H2,1-4H3,(H,21,22)/t16-/m1/s1
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n/an/a 1.10E+3n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM295974
PNG
(3-{1-[3-methoxy- 4-(1H-pyrazol- 4-yl) benzoyl] pyr...)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCCC1c1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C21H22N4O4S/c1-29-20-11-15(7-8-18(20)16-12-23-24-13-16)21(26)25-9-3-6-19(25)14-4-2-5-17(10-14)30(22,27)28/h2,4-5,7-8,10-13,19H,3,6,9H2,1H3,(H,23,24)(H2,22,27,28)
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n/an/a 1.28E+3n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM295961
PNG
(US10112939, Example 3 | [(2S)-1-[3- methoxy-4- (1H...)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCC[C@H]1CO
Show InChI InChI=1S/C16H19N3O3/c1-22-15-7-11(4-5-14(15)12-8-17-18-9-12)16(21)19-6-2-3-13(19)10-20/h4-5,7-9,13,20H,2-3,6,10H2,1H3,(H,17,18)/t13-/m0/s1
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n/an/a 1.34E+3n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296064
PNG
(4-(3-{1-[3-Methoxy-4-(1H-pyrazol-4-yl)benzoyl]pyrr...)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCCC1c1cccc(OC2CCN(C)CC2)c1
Show InChI InChI=1S/C27H32N4O3/c1-30-13-10-22(11-14-30)34-23-6-3-5-19(15-23)25-7-4-12-31(25)27(32)20-8-9-24(26(16-20)33-2)21-17-28-29-18-21/h3,5-6,8-9,15-18,22,25H,4,7,10-14H2,1-2H3,(H,28,29)
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n/an/a 1.39E+3n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM295965
PNG
(1-[3-methoxy-4- (1H-pyrazol-4- yl)benzoyl]-3- phen...)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCCC(C1)c1ccccc1
Show InChI InChI=1S/C22H23N3O2/c1-27-21-12-17(9-10-20(21)19-13-23-24-14-19)22(26)25-11-5-8-18(15-25)16-6-3-2-4-7-16/h2-4,6-7,9-10,12-14,18H,5,8,11,15H2,1H3,(H,23,24)
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n/an/a 1.43E+3n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296034
PNG
(5-(3-{1-[3-methoxy-4-(1H- pyrazol-4-yl)benzoyl] py...)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCCC1c1cccc(c1)-c1ccnn1C
Show InChI InChI=1S/C25H25N5O2/c1-29-22(10-11-28-29)17-5-3-6-18(13-17)23-7-4-12-30(23)25(31)19-8-9-21(24(14-19)32-2)20-15-26-27-16-20/h3,5-6,8-11,13-16,23H,4,7,12H2,1-2H3,(H,26,27)
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n/an/a 1.53E+3n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296036
PNG
(4-(3-{1-[3-methoxy-4-(1H- pyrazol-4-yl)benzoyl] py...)
Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCCC1c1cccc(c1)-c1c(C)noc1C
Show InChI InChI=1S/C26H26N4O3/c1-16-25(17(2)33-29-16)19-7-4-6-18(12-19)23-8-5-11-30(23)26(31)20-9-10-22(24(13-20)32-3)21-14-27-28-15-21/h4,6-7,9-10,12-15,23H,5,8,11H2,1-3H3,(H,27,28)
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n/an/a 1.57E+3n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM296033
PNG
(4-(3-methoxy-4-{2-[3-(1H- pyrazol-4-yl)phenyl] pyr...)
Show SMILES COc1cc(ccc1C(=O)N1CCCC1c1cccc(c1)-c1cn[nH]c1)-c1cn[nH]c1
Show InChI InChI=1S/C24H23N5O2/c1-31-23-11-17(20-14-27-28-15-20)7-8-21(23)24(30)29-9-3-6-22(29)18-5-2-4-16(10-18)19-12-25-26-13-19/h2,4-5,7-8,10-15,22H,3,6,9H2,1H3,(H,25,26)(H,27,28)
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n/an/a 1.60E+3n/an/an/an/a7.5n/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 US10112939 (2018)

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


(Homo sapiens (Human))
BDBM295962
PNG
(4-{2-methoxy- 4-[2-(3- methoxyphenyl) pyrrolidine-...)
Show SMILES COc1cccc(c1)C1CCCN1C(=O)c1ccc(-c2cn[nH]c2)c(OC)c1
Show InChI InChI=1S/C22H23N3O3/c1-27-18-6-3-5-15(11-18)20-7-4-10-25(20)22(26)16-8-9-19(21(12-16)28-2)17-13-23-24-14-17/h3,5-6,8-9,11-14,20H,4,7,10H2,1-2H3,(H,23,24)
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n/an/a 1.63E+3n/an/an/an/a7.5n/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 US10112939 (2018)

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