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Patent code US9221767

Compile Data Set for Download or QSAR
Found 26 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))
BDBM197986
PNG
(US9221767, 58 | US9926282, Example 58)
Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C23H20N4O2/c1-27(2)18-13-9-16(10-14-18)22(28)24-17-11-7-15(8-12-17)21-19-5-3-4-6-20(19)23(29)26-25-21/h3-14H,1-2H3,(H,24,28)(H,26,29)
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n/an/a 0.300n/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 US9221767 (2015)


BindingDB Entry DOI: 10.7270/Q2JW8CP3
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM197982
PNG
(US9221767, 33 | US9926282, Example 33)
Show SMILES CCOc1ccc2CCN(C(=O)Cc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
Show InChI InChI=1S/C26H23N3O3/c1-2-32-20-12-11-18-13-14-29(23(18)16-20)24(30)15-17-7-9-19(10-8-17)25-21-5-3-4-6-22(21)26(31)28-27-25/h3-12,16H,2,13-15H2,1H3,(H,28,31)
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n/an/a 1.20n/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 US9221767 (2015)


BindingDB Entry DOI: 10.7270/Q2JW8CP3
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM197990
PNG
(US9221767, 76 | US9926282, Example 77)
Show SMILES O=C(Nc1ccc(cc1)-c1c[nH]c(=O)c2ccccc12)N1CCc2ccccc12
Show InChI InChI=1S/C24H19N3O2/c28-23-20-7-3-2-6-19(20)21(15-25-23)16-9-11-18(12-10-16)26-24(29)27-14-13-17-5-1-4-8-22(17)27/h1-12,15H,13-14H2,(H,25,28)(H,26,29)
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n/an/a 1.20n/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 US9221767 (2015)


BindingDB Entry DOI: 10.7270/Q2JW8CP3
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM197987
PNG
(US9221767, 61)
Show SMILES O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C26H24N4O2/c31-25(19-10-14-21(15-11-19)30-16-4-1-5-17-30)27-20-12-8-18(9-13-20)24-22-6-2-3-7-23(22)26(32)29-28-24/h2-3,6-15H,1,4-5,16-17H2,(H,27,31)(H,29,32)
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n/an/a 2.10n/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 US9221767 (2015)


BindingDB Entry DOI: 10.7270/Q2JW8CP3
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM197988
PNG
(US9221767, 67 | US9926282, Example 66)
Show SMILES O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C21H15N3O2/c25-20(15-6-2-1-3-7-15)22-16-12-10-14(11-13-16)19-17-8-4-5-9-18(17)21(26)24-23-19/h1-13H,(H,22,25)(H,24,26)
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n/an/a 14n/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 US9221767 (2015)


BindingDB Entry DOI: 10.7270/Q2JW8CP3
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM197979
PNG
(US9221767, 10 | US9926282, Example 10)
Show SMILES O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)Nc1nc2ccccc2o1
Show InChI InChI=1S/C23H16N4O3/c28-20(25-23-24-18-7-3-4-8-19(18)30-23)13-14-9-11-15(12-10-14)21-16-5-1-2-6-17(16)22(29)27-26-21/h1-12H,13H2,(H,27,29)(H,24,25,28)
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n/an/a 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 US9221767 (2015)


BindingDB Entry DOI: 10.7270/Q2JW8CP3
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM197990
PNG
(US9221767, 76 | US9926282, Example 77)
Show SMILES O=C(Nc1ccc(cc1)-c1c[nH]c(=O)c2ccccc12)N1CCc2ccccc12
Show InChI InChI=1S/C24H19N3O2/c28-23-20-7-3-2-6-19(20)21(15-25-23)16-9-11-18(12-10-16)26-24(29)27-14-13-17-5-1-4-8-22(17)27/h1-12,15H,13-14H2,(H,25,28)(H,26,29)
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n/an/a 20n/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 US9221767 (2015)


BindingDB Entry DOI: 10.7270/Q2JW8CP3
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM197982
PNG
(US9221767, 33 | US9926282, Example 33)
Show SMILES CCOc1ccc2CCN(C(=O)Cc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
Show InChI InChI=1S/C26H23N3O3/c1-2-32-20-12-11-18-13-14-29(23(18)16-20)24(30)15-17-7-9-19(10-8-17)25-21-5-3-4-6-22(21)26(31)28-27-25/h3-12,16H,2,13-15H2,1H3,(H,28,31)
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n/an/a 23n/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 US9221767 (2015)


BindingDB Entry DOI: 10.7270/Q2JW8CP3
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM197978
PNG
(US9221767, 2 | US9926282, Example 2)
Show SMILES Fc1ccc2CN(Cc2c1)C(=O)Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C24H18FN3O2/c25-19-10-9-17-13-28(14-18(17)12-19)22(29)11-15-5-7-16(8-6-15)23-20-3-1-2-4-21(20)24(30)27-26-23/h1-10,12H,11,13-14H2,(H,27,30)
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n/an/a 30n/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 US9221767 (2015)


BindingDB Entry DOI: 10.7270/Q2JW8CP3
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM197986
PNG
(US9221767, 58 | US9926282, Example 58)
Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C23H20N4O2/c1-27(2)18-13-9-16(10-14-18)22(28)24-17-11-7-15(8-12-17)21-19-5-3-4-6-20(19)23(29)26-25-21/h3-14H,1-2H3,(H,24,28)(H,26,29)
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n/an/a 35n/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 US9221767 (2015)


BindingDB Entry DOI: 10.7270/Q2JW8CP3
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM197984
PNG
(US9221767, 48 | US9926282, Example 48)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc(cs1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C25H15F3N4O2S/c26-25(27,28)16-9-5-15(6-10-16)24-30-20(13-35-24)23(34)29-17-11-7-14(8-12-17)21-18-3-1-2-4-19(18)22(33)32-31-21/h1-13H,(H,29,34)(H,32,33)
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n/an/a 39n/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 US9221767 (2015)


BindingDB Entry DOI: 10.7270/Q2JW8CP3
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM197987
PNG
(US9221767, 61)
Show SMILES O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C26H24N4O2/c31-25(19-10-14-21(15-11-19)30-16-4-1-5-17-30)27-20-12-8-18(9-13-20)24-22-6-2-3-7-23(22)26(32)29-28-24/h2-3,6-15H,1,4-5,16-17H2,(H,27,31)(H,29,32)
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n/an/a 49n/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 US9221767 (2015)


BindingDB Entry DOI: 10.7270/Q2JW8CP3
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM197988
PNG
(US9221767, 67 | US9926282, Example 66)
Show SMILES O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C21H15N3O2/c25-20(15-6-2-1-3-7-15)22-16-12-10-14(11-13-16)19-17-8-4-5-9-18(17)21(26)24-23-19/h1-13H,(H,22,25)(H,24,26)
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n/an/a 175n/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 US9221767 (2015)


BindingDB Entry DOI: 10.7270/Q2JW8CP3
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM197985
PNG
(US9221767, 52 | US9926282, Example 52)
Show SMILES Cn1ccnc1C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C19H15N5O2/c1-24-11-10-20-17(24)19(26)21-13-8-6-12(7-9-13)16-14-4-2-3-5-15(14)18(25)23-22-16/h2-11H,1H3,(H,21,26)(H,23,25)
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n/an/a 225n/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 US9221767 (2015)


BindingDB Entry DOI: 10.7270/Q2JW8CP3
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM197985
PNG
(US9221767, 52 | US9926282, Example 52)
Show SMILES Cn1ccnc1C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C19H15N5O2/c1-24-11-10-20-17(24)19(26)21-13-8-6-12(7-9-13)16-14-4-2-3-5-15(14)18(25)23-22-16/h2-11H,1H3,(H,21,26)(H,23,25)
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n/an/a 544n/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 US9221767 (2015)


BindingDB Entry DOI: 10.7270/Q2JW8CP3
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM197983
PNG
(US9221767, 34 | US9926282, Example 34)
Show SMILES O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1CCCc2ccccc12
Show InChI InChI=1S/C25H21N3O2/c29-23(28-15-5-7-18-6-1-4-10-22(18)28)16-17-11-13-19(14-12-17)24-20-8-2-3-9-21(20)25(30)27-26-24/h1-4,6,8-14H,5,7,15-16H2,(H,27,30)
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Bristol-Myers Squibb Company

US Patent


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


US Patent US9221767 (2015)


BindingDB Entry DOI: 10.7270/Q2JW8CP3
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM197984
PNG
(US9221767, 48 | US9926282, Example 48)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc(cs1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C25H15F3N4O2S/c26-25(27,28)16-9-5-15(6-10-16)24-30-20(13-35-24)23(34)29-17-11-7-14(8-12-17)21-18-3-1-2-4-19(18)22(33)32-31-21/h1-13H,(H,29,34)(H,32,33)
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n/an/a 670n/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 US9221767 (2015)


BindingDB Entry DOI: 10.7270/Q2JW8CP3
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM197978
PNG
(US9221767, 2 | US9926282, Example 2)
Show SMILES Fc1ccc2CN(Cc2c1)C(=O)Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C24H18FN3O2/c25-19-10-9-17-13-28(14-18(17)12-19)22(29)11-15-5-7-16(8-6-15)23-20-3-1-2-4-21(20)24(30)27-26-23/h1-10,12H,11,13-14H2,(H,27,30)
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n/an/a 679n/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 US9221767 (2015)


BindingDB Entry DOI: 10.7270/Q2JW8CP3
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM197979
PNG
(US9221767, 10 | US9926282, Example 10)
Show SMILES O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)Nc1nc2ccccc2o1
Show InChI InChI=1S/C23H16N4O3/c28-20(25-23-24-18-7-3-4-8-19(18)30-23)13-14-9-11-15(12-10-14)21-16-5-1-2-6-17(16)22(29)27-26-21/h1-12H,13H2,(H,27,29)(H,24,25,28)
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n/an/a 729n/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 US9221767 (2015)


BindingDB Entry DOI: 10.7270/Q2JW8CP3
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM197989
PNG
(US9221767, 69)
Show SMILES O=C(Oc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1CCC(C1)c1ccccc1
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n/an/a 894n/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 US9221767 (2015)


BindingDB Entry DOI: 10.7270/Q2JW8CP3
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM197981
PNG
(US9221767, 19 | US9926282, Example 19)
Show SMILES O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)NC1CCC1
Show InChI InChI=1S/C20H19N3O2/c24-18(21-15-4-3-5-15)12-13-8-10-14(11-9-13)19-16-6-1-2-7-17(16)20(25)23-22-19/h1-2,6-11,15H,3-5,12H2,(H,21,24)(H,23,25)
PDB
MMDB

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US Patent
n/an/a 5.83E+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 US9221767 (2015)


BindingDB Entry DOI: 10.7270/Q2JW8CP3
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM197981
PNG
(US9221767, 19 | US9926282, Example 19)
Show SMILES O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)NC1CCC1
Show InChI InChI=1S/C20H19N3O2/c24-18(21-15-4-3-5-15)12-13-8-10-14(11-9-13)19-16-6-1-2-7-17(16)20(25)23-22-19/h1-2,6-11,15H,3-5,12H2,(H,21,24)(H,23,25)
PDB
MMDB

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US Patent
n/an/a 6.48E+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 US9221767 (2015)


BindingDB Entry DOI: 10.7270/Q2JW8CP3
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM197980
PNG
(US9221767, 13 | US9926282, Example 13)
Show SMILES COC[C@@H]1CCCN1C(=O)Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12 |r|
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US Patent
n/an/a 9.73E+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 US9221767 (2015)


BindingDB Entry DOI: 10.7270/Q2JW8CP3
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM197983
PNG
(US9221767, 34 | US9926282, Example 34)
Show SMILES O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1CCCc2ccccc12
Show InChI InChI=1S/C25H21N3O2/c29-23(28-15-5-7-18-6-1-4-10-22(18)28)16-17-11-13-19(14-12-17)24-20-8-2-3-9-21(20)25(30)27-26-24/h1-4,6,8-14H,5,7,15-16H2,(H,27,30)
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n/an/a 1.19E+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 US9221767 (2015)


BindingDB Entry DOI: 10.7270/Q2JW8CP3
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM197980
PNG
(US9221767, 13 | US9926282, Example 13)
Show SMILES COC[C@@H]1CCCN1C(=O)Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12 |r|
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UniChem
US Patent
n/an/a 1.62E+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 US9221767 (2015)


BindingDB Entry DOI: 10.7270/Q2JW8CP3
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM197989
PNG
(US9221767, 69)
Show SMILES O=C(Oc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1CCC(C1)c1ccccc1
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US Patent
n/an/a 5.00E+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 US9221767 (2015)


BindingDB Entry DOI: 10.7270/Q2JW8CP3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%