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PubMed code 22018789

Compile data set for download or QSAR
Found 73 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))
BDBM50358711
PNG
(CHEMBL1922126)
Show SMILES COc1cccc(CN(CCCN(C)C)C(=O)c2cn(C)c3cc(ccc23)-c2cn[nH]c2)c1
Show InChI InChI=1S/C26H31N5O2/c1-29(2)11-6-12-31(17-19-7-5-8-22(13-19)33-4)26(32)24-18-30(3)25-14-20(9-10-23(24)25)21-15-27-28-16-21/h5,7-10,13-16,18H,6,11-12,17H2,1-4H3,(H,27,28)
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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 ROCK2


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358712
PNG
(CHEMBL1922127)
Show SMILES COc1cccc(CN(CCN(C)C)C(=O)c2cn(C)c3cc(ccc23)-c2cn[nH]c2)c1
Show InChI InChI=1S/C25H29N5O2/c1-28(2)10-11-30(16-18-6-5-7-21(12-18)32-4)25(31)23-17-29(3)24-13-19(8-9-22(23)24)20-14-26-27-15-20/h5-9,12-15,17H,10-11,16H2,1-4H3,(H,26,27)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358713
PNG
(CHEMBL1922128)
Show SMILES COc1cccc(CNC(=O)c2cn(CCCO)c3cc(ccc23)-c2cn[nH]c2)c1
Show InChI InChI=1S/C23H24N4O3/c1-30-19-5-2-4-16(10-19)12-24-23(29)21-15-27(8-3-9-28)22-11-17(6-7-20(21)22)18-13-25-26-14-18/h2,4-7,10-11,13-15,28H,3,8-9,12H2,1H3,(H,24,29)(H,25,26)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
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 ROCK2


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
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 ROCK2


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358709
PNG
(CHEMBL1922046)
Show SMILES COc1cccc(CN(C)C(=O)c2c[nH]c3cc(ccc23)-c2cn[nH]c2)c1
Show InChI InChI=1S/C21H20N4O2/c1-25(13-14-4-3-5-17(8-14)27-2)21(26)19-12-22-20-9-15(6-7-18(19)20)16-10-23-24-11-16/h3-12,22H,13H2,1-2H3,(H,23,24)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
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 ROCK2


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358695
PNG
(CHEMBL1922035)
Show SMILES COc1cccc(CNC(=O)c2cc3ccc(nc3n2C)-c2cn[nH]c2)c1
Show InChI InChI=1S/C20H19N5O2/c1-25-18(20(26)21-10-13-4-3-5-16(8-13)27-2)9-14-6-7-17(24-19(14)25)15-11-22-23-12-15/h3-9,11-12H,10H2,1-2H3,(H,21,26)(H,22,23)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358687
PNG
(CHEMBL1922139)
Show SMILES COc1cccc(CNC(=O)c2[nH]c3cc(ccc3c2CN2CCOCC2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C25H27N5O3/c1-32-20-4-2-3-17(11-20)13-26-25(31)24-22(16-30-7-9-33-10-8-30)21-6-5-18(12-23(21)29-24)19-14-27-28-15-19/h2-6,11-12,14-15,29H,7-10,13,16H2,1H3,(H,26,31)(H,27,28)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358713
PNG
(CHEMBL1922128)
Show SMILES COc1cccc(CNC(=O)c2cn(CCCO)c3cc(ccc23)-c2cn[nH]c2)c1
Show InChI InChI=1S/C23H24N4O3/c1-30-19-5-2-4-16(10-19)12-24-23(29)21-15-27(8-3-9-28)22-11-17(6-7-20(21)22)18-13-25-26-14-18/h2,4-7,10-11,13-15,28H,3,8-9,12H2,1H3,(H,24,29)(H,25,26)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358698
PNG
(CHEMBL1922029)
Show SMILES COc1cccc(CN(C)C(=O)c2cc3ccc(cc3[nH]2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C21H20N4O2/c1-25(13-14-4-3-5-18(8-14)27-2)21(26)20-10-16-7-6-15(9-19(16)24-20)17-11-22-23-12-17/h3-12,24H,13H2,1-2H3,(H,22,23)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358720
PNG
(CHEMBL1922124)
Show SMILES COc1cccc(CN(C)C(=O)c2cn(C)c3cc(ccc23)-c2cn[nH]c2)c1
Show InChI InChI=1S/C22H22N4O2/c1-25-14-20(19-8-7-16(10-21(19)25)17-11-23-24-12-17)22(27)26(2)13-15-5-4-6-18(9-15)28-3/h4-12,14H,13H2,1-3H3,(H,23,24)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358706
PNG
(CHEMBL1922042)
Show SMILES COc1cccc(CN(C)C(=O)c2cc3ccc(nc3[nH]2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C20H19N5O2/c1-25(12-13-4-3-5-16(8-13)27-2)20(26)18-9-14-6-7-17(23-19(14)24-18)15-10-21-22-11-15/h3-11H,12H2,1-2H3,(H,21,22)(H,23,24)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358721
PNG
(CHEMBL1922129)
Show SMILES COc1cccc(CNC(=O)c2cn(CCN(C)C)c3cc(ccc23)-c2cn[nH]c2)c1
Show InChI InChI=1S/C24H27N5O2/c1-28(2)9-10-29-16-22(24(30)25-13-17-5-4-6-20(11-17)31-3)21-8-7-18(12-23(21)29)19-14-26-27-15-19/h4-8,11-12,14-16H,9-10,13H2,1-3H3,(H,25,30)(H,26,27)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358710
PNG
(CHEMBL1922125)
Show SMILES COc1cccc(CNC(=O)c2cn(-c3ccccc3)c3cc(ccc23)-c2cn[nH]c2)c1
Show InChI InChI=1S/C26H22N4O2/c1-32-22-9-5-6-18(12-22)14-27-26(31)24-17-30(21-7-3-2-4-8-21)25-13-19(10-11-23(24)25)20-15-28-29-16-20/h2-13,15-17H,14H2,1H3,(H,27,31)(H,28,29)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358716
PNG
(CHEMBL1922133)
Show SMILES COc1cccc(CN(C2CC2)C(=O)c2c[nH]c3nc(ccc23)-c2cn[nH]c2)c1
Show InChI InChI=1S/C22H21N5O2/c1-29-17-4-2-3-14(9-17)13-27(16-5-6-16)22(28)19-12-23-21-18(19)7-8-20(26-21)15-10-24-25-11-15/h2-4,7-12,16H,5-6,13H2,1H3,(H,23,26)(H,24,25)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358688
PNG
(CHEMBL1922140)
Show SMILES COc1cccc(CNC(=O)c2[nH]c3cc(ccc3c2CN2CCN(C)CC2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C26H30N6O2/c1-31-8-10-32(11-9-31)17-23-22-7-6-19(20-15-28-29-16-20)13-24(22)30-25(23)26(33)27-14-18-4-3-5-21(12-18)34-2/h3-7,12-13,15-16,30H,8-11,14,17H2,1-2H3,(H,27,33)(H,28,29)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358689
PNG
(CHEMBL1922141)
Show SMILES COc1cccc(CNC(=O)c2[nH]c3cc(ccc3c2CN2CCCNCC2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C26H30N6O2/c1-34-21-5-2-4-18(12-21)14-28-26(33)25-23(17-32-10-3-8-27-9-11-32)22-7-6-19(13-24(22)31-25)20-15-29-30-16-20/h2,4-7,12-13,15-16,27,31H,3,8-11,14,17H2,1H3,(H,28,33)(H,29,30)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358690
PNG
(CHEMBL1922142)
Show SMILES COc1cccc(CNC(=O)c2[nH]c3nc(ccc3c2CN2CCN(C)CC2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C25H29N7O2/c1-31-8-10-32(11-9-31)16-21-20-6-7-22(18-14-27-28-15-18)29-24(20)30-23(21)25(33)26-13-17-4-3-5-19(12-17)34-2/h3-7,12,14-15H,8-11,13,16H2,1-2H3,(H,26,33)(H,27,28)(H,29,30)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358719
PNG
(CHEMBL1922137)
Show SMILES COc1cccc(CNC(=O)c2cn(CCN3CCCC3)c3nc(ccc23)-c2cn[nH]c2)c1
Show InChI InChI=1S/C25H28N6O2/c1-33-20-6-4-5-18(13-20)14-26-25(32)22-17-31(12-11-30-9-2-3-10-30)24-21(22)7-8-23(29-24)19-15-27-28-16-19/h4-8,13,15-17H,2-3,9-12,14H2,1H3,(H,26,32)(H,27,28)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358707
PNG
(CHEMBL1922043)
Show SMILES COc1cccc(CN(C2CC2)C(=O)c2cc3ccc(nc3[nH]2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C22H21N5O2/c1-29-18-4-2-3-14(9-18)13-27(17-6-7-17)22(28)20-10-15-5-8-19(25-21(15)26-20)16-11-23-24-12-16/h2-5,8-12,17H,6-7,13H2,1H3,(H,23,24)(H,25,26)
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n/an/a 8n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358686
PNG
(CHEMBL1922138)
Show SMILES COc1cccc(CNC(=O)c2[nH]c3cc(ccc3c2CN(C)C)-c2cn[nH]c2)c1
Show InChI InChI=1S/C23H25N5O2/c1-28(2)14-20-19-8-7-16(17-12-25-26-13-17)10-21(19)27-22(20)23(29)24-11-15-5-4-6-18(9-15)30-3/h4-10,12-13,27H,11,14H2,1-3H3,(H,24,29)(H,25,26)
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n/an/a 9n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358714
PNG
(CHEMBL1922130)
Show SMILES COc1cccc(CN(C)C(=O)c2cn(CCN(C)C)c3cc(ccc23)-c2cn[nH]c2)c1
Show InChI InChI=1S/C25H29N5O2/c1-28(2)10-11-30-17-23(22-9-8-19(13-24(22)30)20-14-26-27-15-20)25(31)29(3)16-18-6-5-7-21(12-18)32-4/h5-9,12-15,17H,10-11,16H2,1-4H3,(H,26,27)
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n/an/a 9n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358712
PNG
(CHEMBL1922127)
Show SMILES COc1cccc(CN(CCN(C)C)C(=O)c2cn(C)c3cc(ccc23)-c2cn[nH]c2)c1
Show InChI InChI=1S/C25H29N5O2/c1-28(2)10-11-30(16-18-6-5-7-21(12-18)32-4)25(31)23-17-29(3)24-13-19(8-9-22(23)24)20-14-26-27-15-20/h5-9,12-15,17H,10-11,16H2,1-4H3,(H,26,27)
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n/an/a 9n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358694
PNG
(CHEMBL1922033)
Show SMILES COc1cccc(CN(CCCN(C)C)C(=O)c2cc3ccc(cc3[nH]2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C25H29N5O2/c1-29(2)10-5-11-30(17-18-6-4-7-22(12-18)32-3)25(31)24-14-20-9-8-19(13-23(20)28-24)21-15-26-27-16-21/h4,6-9,12-16,28H,5,10-11,17H2,1-3H3,(H,26,27)
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n/an/a 10n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
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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n/an/a 11n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358693
PNG
(CHEMBL1922032)
Show SMILES COc1cccc(CN(CCN2CCCC2)C(=O)c2cc3ccc(cc3[nH]2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C26H29N5O2/c1-33-23-6-4-5-19(13-23)18-31(12-11-30-9-2-3-10-30)26(32)25-15-21-8-7-20(14-24(21)29-25)22-16-27-28-17-22/h4-8,13-17,29H,2-3,9-12,18H2,1H3,(H,27,28)
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n/an/a 11n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
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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n/an/a 12n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358711
PNG
(CHEMBL1922126)
Show SMILES COc1cccc(CN(CCCN(C)C)C(=O)c2cn(C)c3cc(ccc23)-c2cn[nH]c2)c1
Show InChI InChI=1S/C26H31N5O2/c1-29(2)11-6-12-31(17-19-7-5-8-22(13-19)33-4)26(32)24-18-30(3)25-14-20(9-10-23(24)25)21-15-27-28-16-21/h5,7-10,13-16,18H,6,11-12,17H2,1-4H3,(H,27,28)
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n/an/a 13n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358691
PNG
(CHEMBL1922143)
Show SMILES COc1cccc(CNC(=O)c2[nH]c3nc(ccc3c2CN2CCOCC2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C24H26N6O3/c1-32-18-4-2-3-16(11-18)12-25-24(31)22-20(15-30-7-9-33-10-8-30)19-5-6-21(28-23(19)29-22)17-13-26-27-14-17/h2-6,11,13-14H,7-10,12,15H2,1H3,(H,25,31)(H,26,27)(H,28,29)
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n/an/a 16n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358708
PNG
(CHEMBL1922044)
Show SMILES COc1cccc(CN(CCN2CCCC2)C(=O)c2cc3ccc(nc3[nH]2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C25H28N6O2/c1-33-21-6-4-5-18(13-21)17-31(12-11-30-9-2-3-10-30)25(32)23-14-19-7-8-22(28-24(19)29-23)20-15-26-27-16-20/h4-8,13-16H,2-3,9-12,17H2,1H3,(H,26,27)(H,28,29)
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n/an/a 18n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358717
PNG
(CHEMBL1922134)
Show SMILES CCN(Cc1cccc(OC)c1)C(=O)c1c[nH]c2nc(ccc12)-c1cn[nH]c1
Show InChI InChI=1S/C21H21N5O2/c1-3-26(13-14-5-4-6-16(9-14)28-2)21(27)18-12-22-20-17(18)7-8-19(25-20)15-10-23-24-11-15/h4-12H,3,13H2,1-2H3,(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 ROCK2


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358709
PNG
(CHEMBL1922046)
Show SMILES COc1cccc(CN(C)C(=O)c2c[nH]c3cc(ccc23)-c2cn[nH]c2)c1
Show InChI InChI=1S/C21H20N4O2/c1-25(13-14-4-3-5-17(8-14)27-2)21(26)19-12-22-20-9-15(6-7-18(19)20)16-10-23-24-11-16/h3-12,22H,13H2,1-2H3,(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: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
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: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358710
PNG
(CHEMBL1922125)
Show SMILES COc1cccc(CNC(=O)c2cn(-c3ccccc3)c3cc(ccc23)-c2cn[nH]c2)c1
Show InChI InChI=1S/C26H22N4O2/c1-32-22-9-5-6-18(12-22)14-27-26(31)24-17-30(21-7-3-2-4-8-21)25-13-19(10-11-23(24)25)20-15-28-29-16-20/h2-13,15-17H,14H2,1H3,(H,27,31)(H,28,29)
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n/an/a 21n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358696
PNG
(CHEMBL1922027)
Show SMILES COc1cccc(CNC(=O)c2cc3ccc(cc3n2CCCO)-c2cn[nH]c2)c1
Show InChI InChI=1S/C23H24N4O3/c1-30-20-5-2-4-16(10-20)13-24-23(29)22-12-18-7-6-17(19-14-25-26-15-19)11-21(18)27(22)8-3-9-28/h2,4-7,10-12,14-15,28H,3,8-9,13H2,1H3,(H,24,29)(H,25,26)
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n/an/a 24n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358703
PNG
(CHEMBL1922039)
Show SMILES COc1cccc(CNC(=O)c2cc3ccc(nc3n2CCCO)-c2cn[nH]c2)c1
Show InChI InChI=1S/C22H23N5O3/c1-30-18-5-2-4-15(10-18)12-23-22(29)20-11-16-6-7-19(17-13-24-25-14-17)26-21(16)27(20)8-3-9-28/h2,4-7,10-11,13-14,28H,3,8-9,12H2,1H3,(H,23,29)(H,24,25)
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n/an/a 24n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358706
PNG
(CHEMBL1922042)
Show SMILES COc1cccc(CN(C)C(=O)c2cc3ccc(nc3[nH]2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C20H19N5O2/c1-25(12-13-4-3-5-16(8-13)27-2)20(26)18-9-14-6-7-17(23-19(14)24-18)15-10-21-22-11-15/h3-11H,12H2,1-2H3,(H,21,22)(H,23,24)
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n/an/a 27n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358716
PNG
(CHEMBL1922133)
Show SMILES COc1cccc(CN(C2CC2)C(=O)c2c[nH]c3nc(ccc23)-c2cn[nH]c2)c1
Show InChI InChI=1S/C22H21N5O2/c1-29-17-4-2-3-14(9-17)13-27(16-5-6-16)22(28)19-12-23-21-18(19)7-8-20(26-21)15-10-24-25-11-15/h2-4,7-12,16H,5-6,13H2,1H3,(H,23,26)(H,24,25)
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n/an/a 30n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358707
PNG
(CHEMBL1922043)
Show SMILES COc1cccc(CN(C2CC2)C(=O)c2cc3ccc(nc3[nH]2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C22H21N5O2/c1-29-18-4-2-3-14(9-18)13-27(17-6-7-17)22(28)20-10-15-5-8-19(25-21(15)26-20)16-11-23-24-12-16/h2-5,8-12,17H,6-7,13H2,1H3,(H,23,24)(H,25,26)
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n/an/a 33n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358686
PNG
(CHEMBL1922138)
Show SMILES COc1cccc(CNC(=O)c2[nH]c3cc(ccc3c2CN(C)C)-c2cn[nH]c2)c1
Show InChI InChI=1S/C23H25N5O2/c1-28(2)14-20-19-8-7-16(17-12-25-26-13-17)10-21(19)27-22(20)23(29)24-11-15-5-4-6-18(9-15)30-3/h4-10,12-13,27H,11,14H2,1-3H3,(H,24,29)(H,25,26)
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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: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358698
PNG
(CHEMBL1922029)
Show SMILES COc1cccc(CN(C)C(=O)c2cc3ccc(cc3[nH]2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C21H20N4O2/c1-25(13-14-4-3-5-18(8-14)27-2)21(26)20-10-16-7-6-15(9-19(16)24-20)17-11-22-23-12-17/h3-12,24H,13H2,1-2H3,(H,22,23)
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n/an/a 37n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358690
PNG
(CHEMBL1922142)
Show SMILES COc1cccc(CNC(=O)c2[nH]c3nc(ccc3c2CN2CCN(C)CC2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C25H29N7O2/c1-31-8-10-32(11-9-31)16-21-20-6-7-22(18-14-27-28-15-18)29-24(20)30-23(21)25(33)26-13-17-4-3-5-19(12-17)34-2/h3-7,12,14-15H,8-11,13,16H2,1-2H3,(H,26,33)(H,27,28)(H,29,30)
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n/an/a 39n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358687
PNG
(CHEMBL1922139)
Show SMILES COc1cccc(CNC(=O)c2[nH]c3cc(ccc3c2CN2CCOCC2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C25H27N5O3/c1-32-20-4-2-3-17(11-20)13-26-25(31)24-22(16-30-7-9-33-10-8-30)21-6-5-18(12-23(21)29-24)19-14-27-28-15-19/h2-6,11-12,14-15,29H,7-10,13,16H2,1H3,(H,26,31)(H,27,28)
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n/an/a 40n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358702
PNG
(CHEMBL1922038)
Show SMILES COc1cccc(CNC(=O)c2cc3ccc(nc3n2CCN(C)C)-c2cn[nH]c2)c1
Show InChI InChI=1S/C23H26N6O2/c1-28(2)9-10-29-21(23(30)24-13-16-5-4-6-19(11-16)31-3)12-17-7-8-20(27-22(17)29)18-14-25-26-15-18/h4-8,11-12,14-15H,9-10,13H2,1-3H3,(H,24,30)(H,25,26)
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n/an/a 43n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358694
PNG
(CHEMBL1922033)
Show SMILES COc1cccc(CN(CCCN(C)C)C(=O)c2cc3ccc(cc3[nH]2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C25H29N5O2/c1-29(2)10-5-11-30(17-18-6-4-7-22(12-18)32-3)25(31)24-14-20-9-8-19(13-23(20)28-24)21-15-26-27-16-21/h4,6-9,12-16,28H,5,10-11,17H2,1-3H3,(H,26,27)
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n/an/a 46n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358718
PNG
(CHEMBL1922135)
Show SMILES COc1cccc(CN(CCCN2CCN(C)CC2)C(=O)c2c[nH]c3nc(ccc23)-c2cn[nH]c2)c1
Show InChI InChI=1S/C27H33N7O2/c1-32-11-13-33(14-12-32)9-4-10-34(19-20-5-3-6-22(15-20)36-2)27(35)24-18-28-26-23(24)7-8-25(31-26)21-16-29-30-17-21/h3,5-8,15-18H,4,9-14,19H2,1-2H3,(H,28,31)(H,29,30)
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n/an/a 62n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358693
PNG
(CHEMBL1922032)
Show SMILES COc1cccc(CN(CCN2CCCC2)C(=O)c2cc3ccc(cc3[nH]2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C26H29N5O2/c1-33-23-6-4-5-19(13-23)18-31(12-11-30-9-2-3-10-30)26(32)25-15-21-8-7-20(14-24(21)29-25)22-16-27-28-17-22/h4-8,13-17,29H,2-3,9-12,18H2,1H3,(H,27,28)
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n/an/a 62n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358717
PNG
(CHEMBL1922134)
Show SMILES CCN(Cc1cccc(OC)c1)C(=O)c1c[nH]c2nc(ccc12)-c1cn[nH]c1
Show InChI InChI=1S/C21H21N5O2/c1-3-26(13-14-5-4-6-16(9-14)28-2)21(27)18-12-22-20-17(18)7-8-19(25-20)15-10-23-24-11-15/h4-12H,3,13H2,1-2H3,(H,22,25)(H,23,24)
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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: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358696
PNG
(CHEMBL1922027)
Show SMILES COc1cccc(CNC(=O)c2cc3ccc(cc3n2CCCO)-c2cn[nH]c2)c1
Show InChI InChI=1S/C23H24N4O3/c1-30-20-5-2-4-16(10-20)13-24-23(29)22-12-18-7-6-17(19-14-25-26-15-19)11-21(18)27(22)8-3-9-28/h2,4-7,10-12,14-15,28H,3,8-9,13H2,1H3,(H,24,29)(H,25,26)
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n/an/a 88n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358703
PNG
(CHEMBL1922039)
Show SMILES COc1cccc(CNC(=O)c2cc3ccc(nc3n2CCCO)-c2cn[nH]c2)c1
Show InChI InChI=1S/C22H23N5O3/c1-30-18-5-2-4-15(10-18)12-23-22(29)20-11-16-6-7-19(17-13-24-25-14-17)26-21(16)27(20)8-3-9-28/h2,4-7,10-11,13-14,28H,3,8-9,12H2,1H3,(H,23,29)(H,24,25)
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n/an/a 88n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358719
PNG
(CHEMBL1922137)
Show SMILES COc1cccc(CNC(=O)c2cn(CCN3CCCC3)c3nc(ccc23)-c2cn[nH]c2)c1
Show InChI InChI=1S/C25H28N6O2/c1-33-20-6-4-5-18(13-20)14-26-25(32)22-17-31(12-11-30-9-2-3-10-30)24-21(22)7-8-23(29-24)19-15-27-28-16-19/h4-8,13,15-17H,2-3,9-12,14H2,1H3,(H,26,32)(H,27,28)
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n/an/a 89n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358691
PNG
(CHEMBL1922143)
Show SMILES COc1cccc(CNC(=O)c2[nH]c3nc(ccc3c2CN2CCOCC2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C24H26N6O3/c1-32-18-4-2-3-16(11-18)12-25-24(31)22-20(15-30-7-9-33-10-8-30)19-5-6-21(28-23(19)29-22)17-13-26-27-14-17/h2-6,11,13-14H,7-10,12,15H2,1H3,(H,25,31)(H,26,27)(H,28,29)
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n/an/a 91n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358714
PNG
(CHEMBL1922130)
Show SMILES COc1cccc(CN(C)C(=O)c2cn(CCN(C)C)c3cc(ccc23)-c2cn[nH]c2)c1
Show InChI InChI=1S/C25H29N5O2/c1-28(2)10-11-30-17-23(22-9-8-19(13-24(22)30)20-14-26-27-15-20)25(31)29(3)16-18-6-5-7-21(12-18)32-4/h5-9,12-15,17H,10-11,16H2,1-4H3,(H,26,27)
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n/an/a 110n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358708
PNG
(CHEMBL1922044)
Show SMILES COc1cccc(CN(CCN2CCCC2)C(=O)c2cc3ccc(nc3[nH]2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C25H28N6O2/c1-33-21-6-4-5-18(13-21)17-31(12-11-30-9-2-3-10-30)25(32)23-14-19-7-8-22(28-24(19)29-23)20-15-26-27-16-20/h4-8,13-16H,2-3,9-12,17H2,1H3,(H,26,27)(H,28,29)
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n/an/a 121n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358700
PNG
(CHEMBL1922036)
Show SMILES COc1cccc(CNC(=O)c2cc3ccc(nc3n2CC2CC2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C23H23N5O2/c1-30-19-4-2-3-16(9-19)11-24-23(29)21-10-17-7-8-20(18-12-25-26-13-18)27-22(17)28(21)14-15-5-6-15/h2-4,7-10,12-13,15H,5-6,11,14H2,1H3,(H,24,29)(H,25,26)
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n/an/a 150n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358699
PNG
(CHEMBL1922030)
Show SMILES COc1cccc(CN(C)C(=O)c2cc3ccc(cc3n2C)-c2cn[nH]c2)c1
Show InChI InChI=1S/C22H22N4O2/c1-25(14-15-5-4-6-19(9-15)28-3)22(27)21-11-17-8-7-16(10-20(17)26(21)2)18-12-23-24-13-18/h4-13H,14H2,1-3H3,(H,23,24)
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n/an/a 200n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358705
PNG
(CHEMBL1922041)
Show SMILES COc1cccc(CN(CCN2CCCC2)C(=O)c2cc3ccc(nc3n2C)-c2cn[nH]c2)c1
Show InChI InChI=1S/C26H30N6O2/c1-30-24(15-20-8-9-23(29-25(20)30)21-16-27-28-17-21)26(33)32(13-12-31-10-3-4-11-31)18-19-6-5-7-22(14-19)34-2/h5-9,14-17H,3-4,10-13,18H2,1-2H3,(H,27,28)
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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 ROCK2


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358702
PNG
(CHEMBL1922038)
Show SMILES COc1cccc(CNC(=O)c2cc3ccc(nc3n2CCN(C)C)-c2cn[nH]c2)c1
Show InChI InChI=1S/C23H26N6O2/c1-28(2)9-10-29-21(23(30)24-13-16-5-4-6-19(11-16)31-3)12-17-7-8-20(27-22(17)29)18-14-25-26-15-18/h4-8,11-12,14-15H,9-10,13H2,1-3H3,(H,24,30)(H,25,26)
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n/an/a 243n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358718
PNG
(CHEMBL1922135)
Show SMILES COc1cccc(CN(CCCN2CCN(C)CC2)C(=O)c2c[nH]c3nc(ccc23)-c2cn[nH]c2)c1
Show InChI InChI=1S/C27H33N7O2/c1-32-11-13-33(14-12-32)9-4-10-34(19-20-5-3-6-22(15-20)36-2)27(35)24-18-28-26-23(24)7-8-25(31-26)21-16-29-30-17-21/h3,5-8,15-18H,4,9-14,19H2,1-2H3,(H,28,31)(H,29,30)
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n/an/a 260n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358700
PNG
(CHEMBL1922036)
Show SMILES COc1cccc(CNC(=O)c2cc3ccc(nc3n2CC2CC2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C23H23N5O2/c1-30-19-4-2-3-16(9-19)11-24-23(29)21-10-17-7-8-20(18-12-25-26-13-18)27-22(17)28(21)14-15-5-6-15/h2-4,7-10,12-13,15H,5-6,11,14H2,1H3,(H,24,29)(H,25,26)
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n/an/a 280n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358697
PNG
(CHEMBL1922028)
Show SMILES COc1cccc(CNC(=O)c2cc3ccc(cc3n2CCN(C)C)-c2cn[nH]c2)c1
Show InChI InChI=1S/C24H27N5O2/c1-28(2)9-10-29-22-12-18(20-15-26-27-16-20)7-8-19(22)13-23(29)24(30)25-14-17-5-4-6-21(11-17)31-3/h4-8,11-13,15-16H,9-10,14H2,1-3H3,(H,25,30)(H,26,27)
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n/an/a 310n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358697
PNG
(CHEMBL1922028)
Show SMILES COc1cccc(CNC(=O)c2cc3ccc(cc3n2CCN(C)C)-c2cn[nH]c2)c1
Show InChI InChI=1S/C24H27N5O2/c1-28(2)9-10-29-22-12-18(20-15-26-27-16-20)7-8-19(22)13-23(29)24(30)25-14-17-5-4-6-21(11-17)31-3/h4-8,11-13,15-16H,9-10,14H2,1-3H3,(H,25,30)(H,26,27)
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n/an/a 710n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358705
PNG
(CHEMBL1922041)
Show SMILES COc1cccc(CN(CCN2CCCC2)C(=O)c2cc3ccc(nc3n2C)-c2cn[nH]c2)c1
Show InChI InChI=1S/C26H30N6O2/c1-30-24(15-20-8-9-23(29-25(20)30)21-16-27-28-17-21)26(33)32(13-12-31-10-3-4-11-31)18-19-6-5-7-22(14-19)34-2/h5-9,14-17H,3-4,10-13,18H2,1-2H3,(H,27,28)
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n/an/a 1.00E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358699
PNG
(CHEMBL1922030)
Show SMILES COc1cccc(CN(C)C(=O)c2cc3ccc(cc3n2C)-c2cn[nH]c2)c1
Show InChI InChI=1S/C22H22N4O2/c1-25(14-15-5-4-6-19(9-15)28-3)22(27)21-11-17-8-7-16(10-20(17)26(21)2)18-12-23-24-13-18/h4-13H,14H2,1-3H3,(H,23,24)
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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: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358704
PNG
(CHEMBL1922040)
Show SMILES COc1cccc(CN(CC[N+]2(C)CCCC2)C(=O)c2cc3ccc(nc3n2C)-c2cn[nH]c2)c1
Show InChI InChI=1S/C27H32N6O2/c1-31-25(16-21-9-10-24(30-26(21)31)22-17-28-29-18-22)27(34)32(11-14-33(2)12-4-5-13-33)19-20-7-6-8-23(15-20)35-3/h6-10,15-18H,4-5,11-14,19H2,1-3H3/p+1
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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 ROCK2


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358692
PNG
(CHEMBL1922031)
Show SMILES COc1cccc(CN(C)C(=O)c2cc3ccc(cc3n2CCN(C)C)-c2cn[nH]c2)c1
Show InChI InChI=1S/C25H29N5O2/c1-28(2)10-11-30-23-13-19(21-15-26-27-16-21)8-9-20(23)14-24(30)25(31)29(3)17-18-6-5-7-22(12-18)32-4/h5-9,12-16H,10-11,17H2,1-4H3,(H,26,27)
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n/an/a 2.30E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358715
PNG
(CHEMBL1922131)
Show SMILES COc1cccc(CN(CCN(C)C)C(=O)c2cn(CCN3CCCC3)c3cc(ccc23)-c2cn[nH]c2)c1
Show InChI InChI=1S/C30H38N6O2/c1-33(2)13-15-36(21-23-7-6-8-26(17-23)38-3)30(37)28-22-35(16-14-34-11-4-5-12-34)29-18-24(9-10-27(28)29)25-19-31-32-20-25/h6-10,17-20,22H,4-5,11-16,21H2,1-3H3,(H,31,32)
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n/an/a 2.80E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358701
PNG
(CHEMBL1922037)
Show SMILES COc1cccc(CNC(=O)c2cc3ccc(nc3n2Cc2cccc(OC)c2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C27H25N5O3/c1-34-22-7-3-5-18(11-22)14-28-27(33)25-13-20-9-10-24(21-15-29-30-16-21)31-26(20)32(25)17-19-6-4-8-23(12-19)35-2/h3-13,15-16H,14,17H2,1-2H3,(H,28,33)(H,29,30)
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n/an/a 4.40E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358704
PNG
(CHEMBL1922040)
Show SMILES COc1cccc(CN(CC[N+]2(C)CCCC2)C(=O)c2cc3ccc(nc3n2C)-c2cn[nH]c2)c1
Show InChI InChI=1S/C27H32N6O2/c1-31-25(16-21-9-10-24(30-26(21)31)22-17-28-29-18-22)27(34)32(11-14-33(2)12-4-5-13-33)19-20-7-6-8-23(15-20)35-3/h6-10,15-18H,4-5,11-14,19H2,1-3H3/p+1
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n/an/a 6.60E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358692
PNG
(CHEMBL1922031)
Show SMILES COc1cccc(CN(C)C(=O)c2cc3ccc(cc3n2CCN(C)C)-c2cn[nH]c2)c1
Show InChI InChI=1S/C25H29N5O2/c1-28(2)10-11-30-23-13-19(21-15-26-27-16-21)8-9-20(23)14-24(30)25(31)29(3)17-18-6-5-7-22(12-18)32-4/h5-9,12-16H,10-11,17H2,1-4H3,(H,26,27)
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n/an/a 6.90E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358715
PNG
(CHEMBL1922131)
Show SMILES COc1cccc(CN(CCN(C)C)C(=O)c2cn(CCN3CCCC3)c3cc(ccc23)-c2cn[nH]c2)c1
Show InChI InChI=1S/C30H38N6O2/c1-33(2)13-15-36(21-23-7-6-8-26(17-23)38-3)30(37)28-22-35(16-14-34-11-4-5-12-34)29-18-24(9-10-27(28)29)25-19-31-32-20-25/h6-10,17-20,22H,4-5,11-16,21H2,1-3H3,(H,31,32)
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n/an/a 8.90E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358701
PNG
(CHEMBL1922037)
Show SMILES COc1cccc(CNC(=O)c2cc3ccc(nc3n2Cc2cccc(OC)c2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C27H25N5O3/c1-34-22-7-3-5-18(11-22)14-28-27(33)25-13-20-9-10-24(21-15-29-30-16-21)31-26(20)32(25)17-19-6-4-8-23(12-19)35-2/h3-13,15-16H,14,17H2,1-2H3,(H,28,33)(H,29,30)
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n/an/a>2.00E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%