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PubMed code 22004718

Compile data set for download or QSAR
Found 58 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))
BDBM50358494
PNG
(CHEMBL1923181)
Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1cc2ccc(nc2[nH]1)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C20H19N5O2/c1-12(13-4-3-5-16(8-13)27-2)23-20(26)18-9-14-6-7-17(24-19(14)25-18)15-10-21-22-11-15/h3-12H,1-2H3,(H,21,22)(H,23,26)(H,24,25)/t12-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human 6-His-tagged ROCK2 expressed in Sf9 cells


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358486
PNG
(CHEMBL1923173)
Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1c[nH]c2cc(ccc12)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C21H20N4O2/c1-13(14-4-3-5-17(8-14)27-2)25-21(26)19-12-22-20-9-15(6-7-18(19)20)16-10-23-24-11-16/h3-13,22H,1-2H3,(H,23,24)(H,25,26)/t13-/m1/s1
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human 6-His-tagged ROCK2 expressed in Sf9 cells


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50026615
PNG
(CHEMBL1922045)
Show SMILES COc1cccc(CNC(=O)c2c[nH]c3cc(ccc23)-c2cn[nH]c2)c1
Show InChI InChI=1S/C20H18N4O2/c1-26-16-4-2-3-13(7-16)9-22-20(25)18-12-21-19-8-14(5-6-17(18)19)15-10-23-24-11-15/h2-8,10-12,21H,9H2,1H3,(H,22,25)(H,23,24)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human 6-His-tagged ROCK2 expressed in Sf9 cells


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50026615
PNG
(CHEMBL1922045)
Show SMILES COc1cccc(CNC(=O)c2c[nH]c3cc(ccc23)-c2cn[nH]c2)c1
Show InChI InChI=1S/C20H18N4O2/c1-26-16-4-2-3-13(7-16)9-22-20(25)18-12-21-19-8-14(5-6-17(18)19)15-10-23-24-11-15/h2-8,10-12,21H,9H2,1H3,(H,22,25)(H,23,24)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358486
PNG
(CHEMBL1923173)
Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1c[nH]c2cc(ccc12)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C21H20N4O2/c1-13(14-4-3-5-17(8-14)27-2)25-21(26)19-12-22-20-9-15(6-7-18(19)20)16-10-23-24-11-16/h3-13,22H,1-2H3,(H,23,24)(H,25,26)/t13-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358479
PNG
(CHEMBL1923167)
Show SMILES COc1cccc(CNC(=O)c2c[nH]c3cc(ccc23)-c2ccncc2)c1
Show InChI InChI=1S/C22H19N3O2/c1-27-18-4-2-3-15(11-18)13-25-22(26)20-14-24-21-12-17(5-6-19(20)21)16-7-9-23-10-8-16/h2-12,14,24H,13H2,1H3,(H,25,26)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human 6-His-tagged ROCK2 expressed in Sf9 cells


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358469
PNG
(CHEMBL1922026)
Show SMILES COc1cccc(CNC(=O)c2cc3ccc(cc3[nH]2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C20H18N4O2/c1-26-17-4-2-3-13(7-17)10-21-20(25)19-9-15-6-5-14(8-18(15)24-19)16-11-22-23-12-16/h2-9,11-12,24H,10H2,1H3,(H,21,25)(H,22,23)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human 6-His-tagged ROCK2 expressed in Sf9 cells


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358480
PNG
(CHEMBL1922132)
Show SMILES COc1cccc(CNC(=O)c2c[nH]c3nc(ccc23)-c2cn[nH]c2)c1
Show InChI InChI=1S/C19H17N5O2/c1-26-14-4-2-3-12(7-14)8-21-19(25)16-11-20-18-15(16)5-6-17(24-18)13-9-22-23-10-13/h2-7,9-11H,8H2,1H3,(H,20,24)(H,21,25)(H,22,23)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human 6-His-tagged ROCK2 expressed in Sf9 cells


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358476
PNG
(CHEMBL1922034)
Show SMILES COc1cccc(CNC(=O)c2cc3ccc(nc3[nH]2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C19H17N5O2/c1-26-15-4-2-3-12(7-15)9-20-19(25)17-8-13-5-6-16(23-18(13)24-17)14-10-21-22-11-14/h2-8,10-11H,9H2,1H3,(H,20,25)(H,21,22)(H,23,24)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human 6-His-tagged ROCK2 expressed in Sf9 cells


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358490
PNG
(CHEMBL1923177)
Show SMILES O=C(NCCc1cccs1)c1c[nH]c2cc(ccc12)-c1cn[nH]c1
Show InChI InChI=1S/C18H16N4OS/c23-18(19-6-5-14-2-1-7-24-14)16-11-20-17-8-12(3-4-15(16)17)13-9-21-22-10-13/h1-4,7-11,20H,5-6H2,(H,19,23)(H,21,22)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human 6-His-tagged ROCK2 expressed in Sf9 cells


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358477
PNG
(CHEMBL1923165)
Show SMILES COc1cccc(CNC(=O)c2cc3ccc(nc3[nH]2)-c2cn[nH]c2C)c1
Show InChI InChI=1S/C20H19N5O2/c1-12-16(11-22-25-12)17-7-6-14-9-18(24-19(14)23-17)20(26)21-10-13-4-3-5-15(8-13)27-2/h3-9,11H,10H2,1-2H3,(H,21,26)(H,22,25)(H,23,24)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human 6-His-tagged ROCK2 expressed in Sf9 cells


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358492
PNG
(CHEMBL1923179)
Show SMILES COc1ccccc1CNC(=O)c1cc2ccc(nc2[nH]1)-c1cn[nH]c1
Show InChI InChI=1S/C19H17N5O2/c1-26-17-5-3-2-4-13(17)9-20-19(25)16-8-12-6-7-15(23-18(12)24-16)14-10-21-22-11-14/h2-8,10-11H,9H2,1H3,(H,20,25)(H,21,22)(H,23,24)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human 6-His-tagged ROCK2 expressed in Sf9 cells


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358494
PNG
(CHEMBL1923181)
Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1cc2ccc(nc2[nH]1)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C20H19N5O2/c1-12(13-4-3-5-16(8-13)27-2)23-20(26)18-9-14-6-7-17(24-19(14)25-18)15-10-21-22-11-15/h3-12H,1-2H3,(H,21,22)(H,23,26)(H,24,25)/t12-/m1/s1
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358481
PNG
(CHEMBL1923168)
Show SMILES COc1cccc(CNC(=O)c2c[nH]c3nc(ccc23)-c2ccncc2)c1
Show InChI InChI=1S/C21H18N4O2/c1-27-16-4-2-3-14(11-16)12-24-21(26)18-13-23-20-17(18)5-6-19(25-20)15-7-9-22-10-8-15/h2-11,13H,12H2,1H3,(H,23,25)(H,24,26)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human 6-His-tagged ROCK2 expressed in Sf9 cells


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358485
PNG
(CHEMBL1923172)
Show SMILES Fc1ccc(CNC(=O)c2c[nH]c3cc(ccc23)-c2cn[nH]c2)cc1F
Show InChI InChI=1S/C19H14F2N4O/c20-16-4-1-11(5-17(16)21)7-23-19(26)15-10-22-18-6-12(2-3-14(15)18)13-8-24-25-9-13/h1-6,8-10,22H,7H2,(H,23,26)(H,24,25)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human 6-His-tagged ROCK2 expressed in Sf9 cells


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358482
PNG
(CHEMBL1923169)
Show SMILES COc1ccccc1CNC(=O)c1c[nH]c2cc(ccc12)-c1cn[nH]c1
Show InChI InChI=1S/C20H18N4O2/c1-26-19-5-3-2-4-14(19)9-22-20(25)17-12-21-18-8-13(6-7-16(17)18)15-10-23-24-11-15/h2-8,10-12,21H,9H2,1H3,(H,22,25)(H,23,24)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human 6-His-tagged ROCK2 expressed in Sf9 cells


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358480
PNG
(CHEMBL1922132)
Show SMILES COc1cccc(CNC(=O)c2c[nH]c3nc(ccc23)-c2cn[nH]c2)c1
Show InChI InChI=1S/C19H17N5O2/c1-26-14-4-2-3-12(7-14)8-21-19(25)16-11-20-18-15(16)5-6-17(24-18)13-9-22-23-10-13/h2-7,9-11H,8H2,1H3,(H,20,24)(H,21,25)(H,22,23)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358479
PNG
(CHEMBL1923167)
Show SMILES COc1cccc(CNC(=O)c2c[nH]c3cc(ccc23)-c2ccncc2)c1
Show InChI InChI=1S/C22H19N3O2/c1-27-18-4-2-3-15(11-18)13-25-22(26)20-14-24-21-12-17(5-6-19(20)21)16-7-9-23-10-8-16/h2-12,14,24H,13H2,1H3,(H,25,26)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358476
PNG
(CHEMBL1922034)
Show SMILES COc1cccc(CNC(=O)c2cc3ccc(nc3[nH]2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C19H17N5O2/c1-26-15-4-2-3-12(7-15)9-20-19(25)17-8-13-5-6-16(23-18(13)24-17)14-10-21-22-11-14/h2-8,10-11H,9H2,1H3,(H,20,25)(H,21,22)(H,23,24)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358490
PNG
(CHEMBL1923177)
Show SMILES O=C(NCCc1cccs1)c1c[nH]c2cc(ccc12)-c1cn[nH]c1
Show InChI InChI=1S/C18H16N4OS/c23-18(19-6-5-14-2-1-7-24-14)16-11-20-17-8-12(3-4-15(16)17)13-9-21-22-10-13/h1-4,7-11,20H,5-6H2,(H,19,23)(H,21,22)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358496
PNG
(CHEMBL1923183)
Show SMILES COc1cccc(CNC(=O)c2nc3cc(ccc3s2)-c2cc[nH]n2)c1
Show InChI InChI=1S/C19H16N4O2S/c1-25-14-4-2-3-12(9-14)11-20-18(24)19-22-16-10-13(5-6-17(16)26-19)15-7-8-21-23-15/h2-10H,11H2,1H3,(H,20,24)(H,21,23)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human 6-His-tagged ROCK2 expressed in Sf9 cells


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358477
PNG
(CHEMBL1923165)
Show SMILES COc1cccc(CNC(=O)c2cc3ccc(nc3[nH]2)-c2cn[nH]c2C)c1
Show InChI InChI=1S/C20H19N5O2/c1-12-16(11-22-25-12)17-7-6-14-9-18(24-19(14)23-17)20(26)21-10-13-4-3-5-15(8-13)27-2/h3-9,11H,10H2,1-2H3,(H,21,26)(H,22,25)(H,23,24)
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n/an/a 19n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358469
PNG
(CHEMBL1922026)
Show SMILES COc1cccc(CNC(=O)c2cc3ccc(cc3[nH]2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C20H18N4O2/c1-26-17-4-2-3-13(7-17)10-21-20(25)19-9-15-6-5-14(8-18(15)24-19)16-11-22-23-12-16/h2-9,11-12,24H,10H2,1H3,(H,21,25)(H,22,23)
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n/an/a 19n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358482
PNG
(CHEMBL1923169)
Show SMILES COc1ccccc1CNC(=O)c1c[nH]c2cc(ccc12)-c1cn[nH]c1
Show InChI InChI=1S/C20H18N4O2/c1-26-19-5-3-2-4-14(19)9-22-20(25)17-12-21-18-8-13(6-7-16(17)18)15-10-23-24-11-15/h2-8,10-12,21H,9H2,1H3,(H,22,25)(H,23,24)
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n/an/a 23n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358485
PNG
(CHEMBL1923172)
Show SMILES Fc1ccc(CNC(=O)c2c[nH]c3cc(ccc23)-c2cn[nH]c2)cc1F
Show InChI InChI=1S/C19H14F2N4O/c20-16-4-1-11(5-17(16)21)7-23-19(26)15-10-22-18-6-12(2-3-14(15)18)13-8-24-25-9-13/h1-6,8-10,22H,7H2,(H,23,26)(H,24,25)
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n/an/a 34n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358471
PNG
(CHEMBL1923053)
Show SMILES COc1cccc(CNC(=O)c2cc3ccc(cc3[nH]2)-c2ccnc(N)n2)c1
Show InChI InChI=1S/C21H19N5O2/c1-28-16-4-2-3-13(9-16)12-24-20(27)19-11-15-6-5-14(10-18(15)25-19)17-7-8-23-21(22)26-17/h2-11,25H,12H2,1H3,(H,24,27)(H2,22,23,26)
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n/an/a 36n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human 6-His-tagged ROCK2 expressed in Sf9 cells


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358481
PNG
(CHEMBL1923168)
Show SMILES COc1cccc(CNC(=O)c2c[nH]c3nc(ccc23)-c2ccncc2)c1
Show InChI InChI=1S/C21H18N4O2/c1-27-16-4-2-3-14(11-16)12-24-21(26)18-13-23-20-17(18)5-6-19(25-20)15-7-9-22-10-8-15/h2-11,13H,12H2,1H3,(H,23,25)(H,24,26)
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n/an/a 48n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358496
PNG
(CHEMBL1923183)
Show SMILES COc1cccc(CNC(=O)c2nc3cc(ccc3s2)-c2cc[nH]n2)c1
Show InChI InChI=1S/C19H16N4O2S/c1-25-14-4-2-3-12(9-14)11-20-18(24)19-22-16-10-13(5-6-17(16)26-19)15-7-8-21-23-15/h2-10H,11H2,1H3,(H,20,24)(H,21,23)
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n/an/a 76n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358488
PNG
(CHEMBL1923175)
Show SMILES O=C(NCC1CCCCC1)c1c[nH]c2cc(ccc12)-c1cn[nH]c1
Show InChI InChI=1S/C19H22N4O/c24-19(21-9-13-4-2-1-3-5-13)17-12-20-18-8-14(6-7-16(17)18)15-10-22-23-11-15/h6-8,10-13,20H,1-5,9H2,(H,21,24)(H,22,23)
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n/an/a 76n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human 6-His-tagged ROCK2 expressed in Sf9 cells


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358492
PNG
(CHEMBL1923179)
Show SMILES COc1ccccc1CNC(=O)c1cc2ccc(nc2[nH]1)-c1cn[nH]c1
Show InChI InChI=1S/C19H17N5O2/c1-26-17-5-3-2-4-13(17)9-20-19(25)16-8-12-6-7-15(23-18(12)24-16)14-10-21-22-11-14/h2-8,10-11H,9H2,1H3,(H,20,25)(H,21,22)(H,23,24)
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n/an/a 130n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358487
PNG
(CHEMBL1923174)
Show SMILES COc1cccc(c1)[C@H](C)NC(=O)c1c[nH]c2cc(ccc12)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C21H20N4O2/c1-13(14-4-3-5-17(8-14)27-2)25-21(26)19-12-22-20-9-15(6-7-18(19)20)16-10-23-24-11-16/h3-13,22H,1-2H3,(H,23,24)(H,25,26)/t13-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human 6-His-tagged ROCK2 expressed in Sf9 cells


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358470
PNG
(CHEMBL1923052)
Show SMILES COc1cccc(CNC(=O)c2cc3ccc(cc3[nH]2)-c2ccncc2)c1
Show InChI InChI=1S/C22H19N3O2/c1-27-19-4-2-3-15(11-19)14-24-22(26)21-13-18-6-5-17(12-20(18)25-21)16-7-9-23-10-8-16/h2-13,25H,14H2,1H3,(H,24,26)
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n/an/a 160n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human 6-His-tagged ROCK2 expressed in Sf9 cells


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358489
PNG
(CHEMBL1923176)
Show SMILES COc1cccc(CCNC(=O)c2c[nH]c3cc(ccc23)-c2cn[nH]c2)c1
Show InChI InChI=1S/C21H20N4O2/c1-27-17-4-2-3-14(9-17)7-8-22-21(26)19-13-23-20-10-15(5-6-18(19)20)16-11-24-25-12-16/h2-6,9-13,23H,7-8H2,1H3,(H,22,26)(H,24,25)
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n/an/a 170n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human 6-His-tagged ROCK2 expressed in Sf9 cells


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358488
PNG
(CHEMBL1923175)
Show SMILES O=C(NCC1CCCCC1)c1c[nH]c2cc(ccc12)-c1cn[nH]c1
Show InChI InChI=1S/C19H22N4O/c24-19(21-9-13-4-2-1-3-5-13)17-12-20-18-8-14(6-7-16(17)18)15-10-22-23-11-15/h6-8,10-13,20H,1-5,9H2,(H,21,24)(H,22,23)
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n/an/a 170n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358493
PNG
(CHEMBL1923180)
Show SMILES COc1ccc(CNC(=O)c2cc3ccc(nc3[nH]2)-c2cn[nH]c2)cc1
Show InChI InChI=1S/C19H17N5O2/c1-26-15-5-2-12(3-6-15)9-20-19(25)17-8-13-4-7-16(23-18(13)24-17)14-10-21-22-11-14/h2-8,10-11H,9H2,1H3,(H,20,25)(H,21,22)(H,23,24)
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n/an/a 180n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human 6-His-tagged ROCK2 expressed in Sf9 cells


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358473
PNG
(CHEMBL1923162)
Show SMILES COc1cccc(CNC(=O)c2cc3cnc(cc3[nH]2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C19H17N5O2/c1-26-15-4-2-3-12(5-15)8-21-19(25)18-6-13-9-20-16(7-17(13)24-18)14-10-22-23-11-14/h2-7,9-11,24H,8H2,1H3,(H,21,25)(H,22,23)
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n/an/a 190n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human 6-His-tagged ROCK2 expressed in Sf9 cells


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358484
PNG
(CHEMBL1923171)
Show SMILES FC(F)(F)Oc1cccc(CNC(=O)c2c[nH]c3cc(ccc23)-c2cn[nH]c2)c1
Show InChI InChI=1S/C20H15F3N4O2/c21-20(22,23)29-15-3-1-2-12(6-15)8-25-19(28)17-11-24-18-7-13(4-5-16(17)18)14-9-26-27-10-14/h1-7,9-11,24H,8H2,(H,25,28)(H,26,27)
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n/an/a 220n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human 6-His-tagged ROCK2 expressed in Sf9 cells


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358478
PNG
(CHEMBL1923166)
Show SMILES COc1cccc(CNC(=O)c2cc3ccc(nc3[nH]2)-c2ccncc2)c1
Show InChI InChI=1S/C21H18N4O2/c1-27-17-4-2-3-14(11-17)13-23-21(26)19-12-16-5-6-18(24-20(16)25-19)15-7-9-22-10-8-15/h2-12H,13H2,1H3,(H,23,26)(H,24,25)
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n/an/a 220n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human 6-His-tagged ROCK2 expressed in Sf9 cells


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358489
PNG
(CHEMBL1923176)
Show SMILES COc1cccc(CCNC(=O)c2c[nH]c3cc(ccc23)-c2cn[nH]c2)c1
Show InChI InChI=1S/C21H20N4O2/c1-27-17-4-2-3-14(9-17)7-8-22-21(26)19-13-23-20-10-15(5-6-18(19)20)16-11-24-25-12-16/h2-6,9-13,23H,7-8H2,1H3,(H,22,26)(H,24,25)
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n/an/a 240n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358495
PNG
(CHEMBL1923182)
Show SMILES COc1cccc(c1)[C@H](C)NC(=O)c1cc2ccc(nc2[nH]1)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C20H19N5O2/c1-12(13-4-3-5-16(8-13)27-2)23-20(26)18-9-14-6-7-17(24-19(14)25-18)15-10-21-22-11-15/h3-12H,1-2H3,(H,21,22)(H,23,26)(H,24,25)/t12-/m0/s1
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human 6-His-tagged ROCK2 expressed in Sf9 cells


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358475
PNG
(CHEMBL1923164)
Show SMILES COc1cccc(CNC(=O)c2cc3cnc(cc3[nH]2)-c2ccncc2)c1
Show InChI InChI=1S/C21H18N4O2/c1-27-17-4-2-3-14(9-17)12-24-21(26)20-10-16-13-23-18(11-19(16)25-20)15-5-7-22-8-6-15/h2-11,13,25H,12H2,1H3,(H,24,26)
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n/an/a 420n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human 6-His-tagged ROCK2 expressed in Sf9 cells


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358471
PNG
(CHEMBL1923053)
Show SMILES COc1cccc(CNC(=O)c2cc3ccc(cc3[nH]2)-c2ccnc(N)n2)c1
Show InChI InChI=1S/C21H19N5O2/c1-28-16-4-2-3-13(9-16)12-24-20(27)19-11-15-6-5-14(10-18(15)25-19)17-7-8-23-21(22)26-17/h2-11,25H,12H2,1H3,(H,24,27)(H2,22,23,26)
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n/an/a 480n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358493
PNG
(CHEMBL1923180)
Show SMILES COc1ccc(CNC(=O)c2cc3ccc(nc3[nH]2)-c2cn[nH]c2)cc1
Show InChI InChI=1S/C19H17N5O2/c1-26-15-5-2-12(3-6-15)9-20-19(25)17-8-13-4-7-16(23-18(13)24-17)14-10-21-22-11-14/h2-8,10-11H,9H2,1H3,(H,20,25)(H,21,22)(H,23,24)
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n/an/a 500n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358487
PNG
(CHEMBL1923174)
Show SMILES COc1cccc(c1)[C@H](C)NC(=O)c1c[nH]c2cc(ccc12)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C21H20N4O2/c1-13(14-4-3-5-17(8-14)27-2)25-21(26)19-12-22-20-9-15(6-7-18(19)20)16-10-23-24-11-16/h3-13,22H,1-2H3,(H,23,24)(H,25,26)/t13-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358474
PNG
(CHEMBL1923163)
Show SMILES COc1cccc(CNC(=O)c2cc3cnc(cc3[nH]2)-c2cn[nH]c2C)c1
Show InChI InChI=1S/C20H19N5O2/c1-12-16(11-23-25-12)18-8-17-14(10-21-18)7-19(24-17)20(26)22-9-13-4-3-5-15(6-13)27-2/h3-8,10-11,24H,9H2,1-2H3,(H,22,26)(H,23,25)
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n/an/a 530n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human 6-His-tagged ROCK2 expressed in Sf9 cells


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358495
PNG
(CHEMBL1923182)
Show SMILES COc1cccc(c1)[C@H](C)NC(=O)c1cc2ccc(nc2[nH]1)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C20H19N5O2/c1-12(13-4-3-5-16(8-13)27-2)23-20(26)18-9-14-6-7-17(24-19(14)25-18)15-10-21-22-11-15/h3-12H,1-2H3,(H,21,22)(H,23,26)(H,24,25)/t12-/m0/s1
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n/an/a 560n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358478
PNG
(CHEMBL1923166)
Show SMILES COc1cccc(CNC(=O)c2cc3ccc(nc3[nH]2)-c2ccncc2)c1
Show InChI InChI=1S/C21H18N4O2/c1-27-17-4-2-3-14(11-17)13-23-21(26)19-12-16-5-6-18(24-20(16)25-19)15-7-9-22-10-8-15/h2-12H,13H2,1H3,(H,23,26)(H,24,25)
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n/an/a 720n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358491
PNG
(CHEMBL1923178)
Show SMILES COc1ccc(OC)c(CNC(=O)c2c[nH]c3cc(ccc23)-c2cn[nH]c2)c1
Show InChI InChI=1S/C21H20N4O3/c1-27-16-4-6-20(28-2)14(7-16)9-23-21(26)18-12-22-19-8-13(3-5-17(18)19)15-10-24-25-11-15/h3-8,10-12,22H,9H2,1-2H3,(H,23,26)(H,24,25)
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n/an/a 740n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human 6-His-tagged ROCK2 expressed in Sf9 cells


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358483
PNG
(CHEMBL1923170)
Show SMILES COc1ccc(CNC(=O)c2c[nH]c3cc(ccc23)-c2cn[nH]c2)cc1
Show InChI InChI=1S/C20H18N4O2/c1-26-16-5-2-13(3-6-16)9-22-20(25)18-12-21-19-8-14(4-7-17(18)19)15-10-23-24-11-15/h2-8,10-12,21H,9H2,1H3,(H,22,25)(H,23,24)
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n/an/a 750n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human 6-His-tagged ROCK2 expressed in Sf9 cells


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358484
PNG
(CHEMBL1923171)
Show SMILES FC(F)(F)Oc1cccc(CNC(=O)c2c[nH]c3cc(ccc23)-c2cn[nH]c2)c1
Show InChI InChI=1S/C20H15F3N4O2/c21-20(22,23)29-15-3-1-2-12(6-15)8-25-19(28)17-11-24-18-7-13(4-5-16(17)18)14-9-26-27-10-14/h1-7,9-11,24H,8H2,(H,25,28)(H,26,27)
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n/an/a 760n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358473
PNG
(CHEMBL1923162)
Show SMILES COc1cccc(CNC(=O)c2cc3cnc(cc3[nH]2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C19H17N5O2/c1-26-15-4-2-3-12(5-15)8-21-19(25)18-6-13-9-20-16(7-17(13)24-18)14-10-22-23-11-14/h2-7,9-11,24H,8H2,1H3,(H,21,25)(H,22,23)
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n/an/a 870n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358475
PNG
(CHEMBL1923164)
Show SMILES COc1cccc(CNC(=O)c2cc3cnc(cc3[nH]2)-c2ccncc2)c1
Show InChI InChI=1S/C21H18N4O2/c1-27-17-4-2-3-14(9-17)12-24-21(26)20-10-16-13-23-18(11-19(16)25-20)15-5-7-22-8-6-15/h2-11,13,25H,12H2,1H3,(H,24,26)
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n/an/a 1.10E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358472
PNG
(CHEMBL1923161)
Show SMILES COc1cccc(CNC(=O)c2cc3ccc(cc3[nH]2)-c2ccnc(N)c2)c1
Show InChI InChI=1S/C22H20N4O2/c1-28-18-4-2-3-14(9-18)13-25-22(27)20-11-17-6-5-15(10-19(17)26-20)16-7-8-24-21(23)12-16/h2-12,26H,13H2,1H3,(H2,23,24)(H,25,27)
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n/an/a 1.20E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human 6-His-tagged ROCK2 expressed in Sf9 cells


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358474
PNG
(CHEMBL1923163)
Show SMILES COc1cccc(CNC(=O)c2cc3cnc(cc3[nH]2)-c2cn[nH]c2C)c1
Show InChI InChI=1S/C20H19N5O2/c1-12-16(11-23-25-12)18-8-17-14(10-21-18)7-19(24-17)20(26)22-9-13-4-3-5-15(6-13)27-2/h3-8,10-11,24H,9H2,1-2H3,(H,22,26)(H,23,25)
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n/an/a 1.20E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358491
PNG
(CHEMBL1923178)
Show SMILES COc1ccc(OC)c(CNC(=O)c2c[nH]c3cc(ccc23)-c2cn[nH]c2)c1
Show InChI InChI=1S/C21H20N4O3/c1-27-16-4-6-20(28-2)14(7-16)9-23-21(26)18-12-22-19-8-13(3-5-17(18)19)15-10-24-25-11-15/h3-8,10-12,22H,9H2,1-2H3,(H,23,26)(H,24,25)
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n/an/a 1.34E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358470
PNG
(CHEMBL1923052)
Show SMILES COc1cccc(CNC(=O)c2cc3ccc(cc3[nH]2)-c2ccncc2)c1
Show InChI InChI=1S/C22H19N3O2/c1-27-19-4-2-3-15(11-19)14-24-22(26)21-13-18-6-5-17(12-20(18)25-21)16-7-9-23-10-8-16/h2-13,25H,14H2,1H3,(H,24,26)
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n/an/a 1.90E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358483
PNG
(CHEMBL1923170)
Show SMILES COc1ccc(CNC(=O)c2c[nH]c3cc(ccc23)-c2cn[nH]c2)cc1
Show InChI InChI=1S/C20H18N4O2/c1-26-16-5-2-13(3-6-16)9-22-20(25)18-12-21-19-8-14(4-7-17(18)19)15-10-23-24-11-15/h2-8,10-12,21H,9H2,1H3,(H,22,25)(H,23,24)
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n/an/a 1.90E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358472
PNG
(CHEMBL1923161)
Show SMILES COc1cccc(CNC(=O)c2cc3ccc(cc3[nH]2)-c2ccnc(N)c2)c1
Show InChI InChI=1S/C22H20N4O2/c1-28-18-4-2-3-14(9-18)13-25-22(27)20-11-17-6-5-15(10-19(17)26-20)16-7-8-24-21(23)12-16/h2-12,26H,13H2,1H3,(H2,23,24)(H,25,27)
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n/an/a 2.10E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%