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PubMed code 19837589

Compile data set for download or QSAR
Found 52 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))
BDBM50311713
PNG
(CHEMBL1080279 | N-(2-(dimethylamino)ethyl)-N-(3-me...)
Show SMILES COc1cccc(CN(CCN(C)C)C(=O)c2nc3ccc(cc3s2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C23H25N5O2S/c1-27(2)9-10-28(15-16-5-4-6-19(11-16)30-3)23(29)22-26-20-8-7-17(12-21(20)31-22)18-13-24-25-14-18/h4-8,11-14H,9-10,15H2,1-3H3,(H,24,25)
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n/an/a 0.400n/an/an/an/an/an/a



Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50311728
PNG
(3-(6-(1H-pyrazol-4-yl)benzo[d]thiazol-2-yl)-N-(3-(...)
Show SMILES CN(C)CCCNC(=O)c1ccc2OCC(Cc2c1)c1nc2ccc(cc2s1)-c1cn[nH]c1
Show InChI InChI=1S/C25H27N5O2S/c1-30(2)9-3-8-26-24(31)17-5-7-22-18(10-17)11-19(15-32-22)25-29-21-6-4-16(12-23(21)33-25)20-13-27-28-14-20/h4-7,10,12-14,19H,3,8-9,11,15H2,1-2H3,(H,26,31)(H,27,28)
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n/an/a 0.900n/an/an/an/an/an/a



Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50311728
PNG
(3-(6-(1H-pyrazol-4-yl)benzo[d]thiazol-2-yl)-N-(3-(...)
Show SMILES CN(C)CCCNC(=O)c1ccc2OCC(Cc2c1)c1nc2ccc(cc2s1)-c1cn[nH]c1
Show InChI InChI=1S/C25H27N5O2S/c1-30(2)9-3-8-26-24(31)17-5-7-22-18(10-17)11-19(15-32-22)25-29-21-6-4-16(12-23(21)33-25)20-13-27-28-14-20/h4-7,10,12-14,19H,3,8-9,11,15H2,1-2H3,(H,26,31)(H,27,28)
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n/an/a 2n/an/an/an/an/an/a



Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50311713
PNG
(CHEMBL1080279 | N-(2-(dimethylamino)ethyl)-N-(3-me...)
Show SMILES COc1cccc(CN(CCN(C)C)C(=O)c2nc3ccc(cc3s2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C23H25N5O2S/c1-27(2)9-10-28(15-16-5-4-6-19(11-16)30-3)23(29)22-26-20-8-7-17(12-21(20)31-22)18-13-24-25-14-18/h4-8,11-14H,9-10,15H2,1-3H3,(H,24,25)
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n/an/a 3.5n/an/an/an/an/an/a



Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50311728
PNG
(3-(6-(1H-pyrazol-4-yl)benzo[d]thiazol-2-yl)-N-(3-(...)
Show SMILES CN(C)CCCNC(=O)c1ccc2OCC(Cc2c1)c1nc2ccc(cc2s1)-c1cn[nH]c1
Show InChI InChI=1S/C25H27N5O2S/c1-30(2)9-3-8-26-24(31)17-5-7-22-18(10-17)11-19(15-32-22)25-29-21-6-4-16(12-23(21)33-25)20-13-27-28-14-20/h4-7,10,12-14,19H,3,8-9,11,15H2,1-2H3,(H,26,31)(H,27,28)
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Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay


Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50311713
PNG
(CHEMBL1080279 | N-(2-(dimethylamino)ethyl)-N-(3-me...)
Show SMILES COc1cccc(CN(CCN(C)C)C(=O)c2nc3ccc(cc3s2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C23H25N5O2S/c1-27(2)9-10-28(15-16-5-4-6-19(11-16)30-3)23(29)22-26-20-8-7-17(12-21(20)31-22)18-13-24-25-14-18/h4-8,11-14H,9-10,15H2,1-3H3,(H,24,25)
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n/an/a<6n/an/an/an/an/an/a



Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay


Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50311724
PNG
(3-(6-(1H-pyrazol-4-yl)benzo[d]thiazol-2-yl)-N-(2-(...)
Show SMILES CN(C)CCNC(=O)c1ccc2OCC(Cc2c1)c1nc2ccc(cc2s1)-c1cn[nH]c1
Show InChI InChI=1S/C24H25N5O2S/c1-29(2)8-7-25-23(30)16-4-6-21-17(9-16)10-18(14-31-21)24-28-20-5-3-15(11-22(20)32-24)19-12-26-27-13-19/h3-6,9,11-13,18H,7-8,10,14H2,1-2H3,(H,25,30)(H,26,27)
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n/an/a 7n/an/an/an/an/an/a



Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50311714
PNG
(4-(2-(chroman-3-yl)benzo[d]thiazol-6-yl)pyrimidin-...)
Show SMILES Nc1nccc(n1)-c1ccc2nc(sc2c1)C1COc2ccccc2C1
Show InChI InChI=1S/C20H16N4OS/c21-20-22-8-7-15(24-20)12-5-6-16-18(10-12)26-19(23-16)14-9-13-3-1-2-4-17(13)25-11-14/h1-8,10,14H,9,11H2,(H2,21,22,24)
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n/an/a 9n/an/an/an/an/an/a



Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50311727
PNG
(CHEMBL1081001 | N-(3-methoxybenzyl)-N-(2-methoxyet...)
Show SMILES COCCN(Cc1cccc(OC)c1)C(=O)c1nc2ccc(cc2s1)-c1cn[nH]c1
Show InChI InChI=1S/C22H22N4O3S/c1-28-9-8-26(14-15-4-3-5-18(10-15)29-2)22(27)21-25-19-7-6-16(11-20(19)30-21)17-12-23-24-13-17/h3-7,10-13H,8-9,14H2,1-2H3,(H,23,24)
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n/an/a 10n/an/an/an/an/an/a



Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50311715
PNG
(2-(chroman-3-yl)-6-(1H-pyrazol-4-yl)benzo[d]thiazo...)
Show SMILES C1Oc2ccccc2CC1c1nc2ccc(cc2s1)-c1cn[nH]c1
Show InChI InChI=1S/C19H15N3OS/c1-2-4-17-13(3-1)7-14(11-23-17)19-22-16-6-5-12(8-18(16)24-19)15-9-20-21-10-15/h1-6,8-10,14H,7,11H2,(H,20,21)
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n/an/a 11n/an/an/an/an/an/a



Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50311717
PNG
(2-(chroman-3-yl)-4-fluoro-6-(1H-pyrazol-4-yl)benzo...)
Show SMILES Fc1cc(cc2sc(nc12)C1COc2ccccc2C1)-c1cn[nH]c1
Show InChI InChI=1S/C19H14FN3OS/c20-15-6-12(14-8-21-22-9-14)7-17-18(15)23-19(25-17)13-5-11-3-1-2-4-16(11)24-10-13/h1-4,6-9,13H,5,10H2,(H,21,22)
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n/an/a 14n/an/an/an/an/an/a



Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50311725
PNG
(CHEMBL1081193 | N-(3-methoxybenzyl)-6-(1H-pyrazol-...)
Show SMILES COc1cccc(CNC(=O)c2nc3ccc(cc3s2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C19H16N4O2S/c1-25-15-4-2-3-12(7-15)9-20-18(24)19-23-16-6-5-13(8-17(16)26-19)14-10-21-22-11-14/h2-8,10-11H,9H2,1H3,(H,20,24)(H,21,22)
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n/an/a 18n/an/an/an/an/an/a



Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50311724
PNG
(3-(6-(1H-pyrazol-4-yl)benzo[d]thiazol-2-yl)-N-(2-(...)
Show SMILES CN(C)CCNC(=O)c1ccc2OCC(Cc2c1)c1nc2ccc(cc2s1)-c1cn[nH]c1
Show InChI InChI=1S/C24H25N5O2S/c1-29(2)8-7-25-23(30)16-4-6-21-17(9-16)10-18(14-31-21)24-28-20-5-3-15(11-22(20)32-24)19-12-26-27-13-19/h3-6,9,11-13,18H,7-8,10,14H2,1-2H3,(H,25,30)(H,26,27)
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Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay


Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50311731
PNG
(2-(chroman-3-yl)-6-(3-methyl-1H-pyrazol-4-yl)benzo...)
Show SMILES Cc1[nH]ncc1-c1ccc2nc(sc2c1)C1COc2ccccc2C1
Show InChI InChI=1S/C20H17N3OS/c1-12-16(10-21-23-12)13-6-7-17-19(9-13)25-20(22-17)15-8-14-4-2-3-5-18(14)24-11-15/h2-7,9-10,15H,8,11H2,1H3,(H,21,23)
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n/an/a 25n/an/an/an/an/an/a



Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50311726
PNG
(CHEMBL1081196 | N-ethyl-N-(3-methoxybenzyl)-6-(1H-...)
Show SMILES CCN(Cc1cccc(OC)c1)C(=O)c1nc2ccc(cc2s1)-c1cn[nH]c1
Show InChI InChI=1S/C21H20N4O2S/c1-3-25(13-14-5-4-6-17(9-14)27-2)21(26)20-24-18-8-7-15(10-19(18)28-20)16-11-22-23-12-16/h4-12H,3,13H2,1-2H3,(H,22,23)
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n/an/a 26n/an/an/an/an/an/a



Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50311718
PNG
(2-(chroman-3-yl)-4-methoxy-6-(1H-pyrazol-4-yl)benz...)
Show SMILES COc1cc(cc2sc(nc12)C1COc2ccccc2C1)-c1cn[nH]c1
Show InChI InChI=1S/C20H17N3O2S/c1-24-17-7-13(15-9-21-22-10-15)8-18-19(17)23-20(26-18)14-6-12-4-2-3-5-16(12)25-11-14/h2-5,7-10,14H,6,11H2,1H3,(H,21,22)
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Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50311722
PNG
(2-(6-fluorochroman-3-yl)-6-(1H-pyrazol-4-yl)benzo[...)
Show SMILES Fc1ccc2OCC(Cc2c1)c1nc2ccc(cc2s1)-c1cn[nH]c1
Show InChI InChI=1S/C19H14FN3OS/c20-15-2-4-17-12(6-15)5-13(10-24-17)19-23-16-3-1-11(7-18(16)25-19)14-8-21-22-9-14/h1-4,6-9,13H,5,10H2,(H,21,22)
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Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50311729
PNG
(2-(chroman-3-yl)-6-(pyridin-4-yl)benzo[d]thiazole ...)
Show SMILES C1Oc2ccccc2CC1c1nc2ccc(cc2s1)-c1ccncc1
Show InChI InChI=1S/C21H16N2OS/c1-2-4-19-16(3-1)11-17(13-24-19)21-23-18-6-5-15(12-20(18)25-21)14-7-9-22-10-8-14/h1-10,12,17H,11,13H2
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Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50311721
PNG
(2-(6-methoxychroman-3-yl)-6-(1H-pyrazol-4-yl)benzo...)
Show SMILES COc1ccc2OCC(Cc2c1)c1nc2ccc(cc2s1)-c1cn[nH]c1
Show InChI InChI=1S/C20H17N3O2S/c1-24-16-3-5-18-13(7-16)6-14(11-25-18)20-23-17-4-2-12(8-19(17)26-20)15-9-21-22-10-15/h2-5,7-10,14H,6,11H2,1H3,(H,21,22)
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n/an/a 45n/an/an/an/an/an/a



Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50311716
PNG
(2-(chroman-3-yl)-5-fluoro-6-(1H-pyrazol-4-yl)benzo...)
Show SMILES Fc1cc2nc(sc2cc1-c1cn[nH]c1)C1COc2ccccc2C1
Show InChI InChI=1S/C19H14FN3OS/c20-15-7-16-18(6-14(15)13-8-21-22-9-13)25-19(23-16)12-5-11-3-1-2-4-17(11)24-10-12/h1-4,6-9,12H,5,10H2,(H,21,22)
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n/an/a 47n/an/an/an/an/an/a



Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50311720
PNG
(CHEMBL1081182 | N1-(2-(chroman-3-yl)-6-(1H-pyrazol...)
Show SMILES CN(C)CCN(C)c1cc(cc2sc(nc12)C1COc2ccccc2C1)-c1cn[nH]c1
Show InChI InChI=1S/C24H27N5OS/c1-28(2)8-9-29(3)20-11-17(19-13-25-26-14-19)12-22-23(20)27-24(31-22)18-10-16-6-4-5-7-21(16)30-15-18/h4-7,11-14,18H,8-10,15H2,1-3H3,(H,25,26)
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n/an/a 51n/an/an/an/an/an/a



Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50311736
PNG
(CHEMBL1080104 | N-benzyl-6-(1H-pyrazol-4-yl)benzo[...)
Show SMILES O=C(NCc1ccccc1)c1nc2ccc(cc2s1)-c1cn[nH]c1
Show InChI InChI=1S/C18H14N4OS/c23-17(19-9-12-4-2-1-3-5-12)18-22-15-7-6-13(8-16(15)24-18)14-10-20-21-11-14/h1-8,10-11H,9H2,(H,19,23)(H,20,21)
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n/an/a 53n/an/an/an/an/an/a



Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50311738
PNG
(CHEMBL1081195 | N-(3-methoxybenzyl)-N-methyl-6-(1H...)
Show SMILES COc1cccc(CN(C)C(=O)c2nc3ccc(cc3s2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C20H18N4O2S/c1-24(12-13-4-3-5-16(8-13)26-2)20(25)19-23-17-7-6-14(9-18(17)27-19)15-10-21-22-11-15/h3-11H,12H2,1-2H3,(H,21,22)
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n/an/a 59n/an/an/an/an/an/a



Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50311723
PNG
(CHEMBL1079919 | methyl 3-(6-(1H-pyrazol-4-yl)benzo...)
Show SMILES COC(=O)c1ccc2OCC(Cc2c1)c1nc2ccc(cc2s1)-c1cn[nH]c1
Show InChI InChI=1S/C21H17N3O3S/c1-26-21(25)13-3-5-18-14(6-13)7-15(11-27-18)20-24-17-4-2-12(8-19(17)28-20)16-9-22-23-10-16/h2-6,8-10,15H,7,11H2,1H3,(H,22,23)
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n/an/a 59n/an/an/an/an/an/a



Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50311719
PNG
(2-(2-(chroman-3-yl)-6-(1H-pyrazol-4-yl)benzo[d]thi...)
Show SMILES CN(C)CCOc1cc(cc2sc(nc12)C1COc2ccccc2C1)-c1cn[nH]c1
Show InChI InChI=1S/C23H24N4O2S/c1-27(2)7-8-28-20-10-16(18-12-24-25-13-18)11-21-22(20)26-23(30-21)17-9-15-5-3-4-6-19(15)29-14-17/h3-6,10-13,17H,7-9,14H2,1-2H3,(H,24,25)
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n/an/a 66n/an/an/an/an/an/a



Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50311737
PNG
(CHEMBL1081194 | N-(3-fluorobenzyl)-6-(1H-pyrazol-4...)
Show SMILES Fc1cccc(CNC(=O)c2nc3ccc(cc3s2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C18H13FN4OS/c19-14-3-1-2-11(6-14)8-20-17(24)18-23-15-5-4-12(7-16(15)25-18)13-9-21-22-10-13/h1-7,9-10H,8H2,(H,20,24)(H,21,22)
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n/an/a 72n/an/an/an/an/an/a



Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50311735
PNG
(2-(6-chlorochroman-3-yl)-6-(1H-pyrazol-4-yl)benzo[...)
Show SMILES Clc1ccc2OCC(Cc2c1)c1nc2ccc(cc2s1)-c1cn[nH]c1
Show InChI InChI=1S/C19H14ClN3OS/c20-15-2-4-17-12(6-15)5-13(10-24-17)19-23-16-3-1-11(7-18(16)25-19)14-8-21-22-9-14/h1-4,6-9,13H,5,10H2,(H,21,22)
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n/an/a 75n/an/an/an/an/an/a



Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50311734
PNG
(2-(6-methylchroman-3-yl)-6-(1H-pyrazol-4-yl)benzo[...)
Show SMILES Cc1ccc2OCC(Cc2c1)c1nc2ccc(cc2s1)-c1cn[nH]c1
Show InChI InChI=1S/C20H17N3OS/c1-12-2-5-18-14(6-12)7-15(11-24-18)20-23-17-4-3-13(8-19(17)25-20)16-9-21-22-10-16/h2-6,8-10,15H,7,11H2,1H3,(H,21,22)
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n/an/a 93n/an/an/an/an/an/a



Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50311739
PNG
(CHEMBL1080286 | N-cyclopropyl-N-(3-methoxybenzyl)-...)
Show SMILES COc1cccc(CN(C2CC2)C(=O)c2nc3ccc(cc3s2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C22H20N4O2S/c1-28-18-4-2-3-14(9-18)13-26(17-6-7-17)22(27)21-25-19-8-5-15(10-20(19)29-21)16-11-23-24-12-16/h2-5,8-12,17H,6-7,13H2,1H3,(H,23,24)
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n/an/a 94n/an/an/an/an/an/a



Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50311726
PNG
(CHEMBL1081196 | N-ethyl-N-(3-methoxybenzyl)-6-(1H-...)
Show SMILES CCN(Cc1cccc(OC)c1)C(=O)c1nc2ccc(cc2s1)-c1cn[nH]c1
Show InChI InChI=1S/C21H20N4O2S/c1-3-25(13-14-5-4-6-17(9-14)27-2)21(26)20-24-18-8-7-15(10-19(18)28-20)16-11-22-23-12-16/h4-12H,3,13H2,1-2H3,(H,22,23)
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n/an/a 180n/an/an/an/an/an/a



Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha


(Homo sapiens (Human))
BDBM50311713
PNG
(CHEMBL1080279 | N-(2-(dimethylamino)ethyl)-N-(3-me...)
Show SMILES COc1cccc(CN(CCN(C)C)C(=O)c2nc3ccc(cc3s2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C23H25N5O2S/c1-27(2)9-10-28(15-16-5-4-6-19(11-16)30-3)23(29)22-26-20-8-7-17(12-21(20)31-22)18-13-24-25-14-18/h4-8,11-14H,9-10,15H2,1-3H3,(H,24,25)
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n/an/a 247n/an/an/an/an/an/a



Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MRCKalpha


Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50311732
PNG
(4-(2-(2-(chroman-3-yl)-6-(1H-pyrazol-4-yl)benzo[d]...)
Show SMILES C(CN1CCOCC1)Oc1cc(cc2sc(nc12)C1COc2ccccc2C1)-c1cn[nH]c1
Show InChI InChI=1S/C25H26N4O3S/c1-2-4-21-17(3-1)11-19(16-32-21)25-28-24-22(31-10-7-29-5-8-30-9-6-29)12-18(13-23(24)33-25)20-14-26-27-15-20/h1-4,12-15,19H,5-11,16H2,(H,26,27)
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n/an/a 314n/an/an/an/an/an/a



Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50311720
PNG
(CHEMBL1081182 | N1-(2-(chroman-3-yl)-6-(1H-pyrazol...)
Show SMILES CN(C)CCN(C)c1cc(cc2sc(nc12)C1COc2ccccc2C1)-c1cn[nH]c1
Show InChI InChI=1S/C24H27N5OS/c1-28(2)8-9-29(3)20-11-17(19-13-25-26-14-19)12-22-23(20)27-24(31-22)18-10-16-6-4-5-7-21(16)30-15-18/h4-7,11-14,18H,8-10,15H2,1-3H3,(H,25,26)
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n/an/a 365n/an/an/an/an/an/a



Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay


Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50311719
PNG
(2-(2-(chroman-3-yl)-6-(1H-pyrazol-4-yl)benzo[d]thi...)
Show SMILES CN(C)CCOc1cc(cc2sc(nc12)C1COc2ccccc2C1)-c1cn[nH]c1
Show InChI InChI=1S/C23H24N4O2S/c1-27(2)7-8-28-20-10-16(18-12-24-25-13-18)11-21-22(20)26-23(30-21)17-9-15-5-3-4-6-19(15)29-14-17/h3-6,10-13,17H,7-9,14H2,1-2H3,(H,24,25)
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n/an/a 365n/an/an/an/an/an/a



Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay


Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50311726
PNG
(CHEMBL1081196 | N-ethyl-N-(3-methoxybenzyl)-6-(1H-...)
Show SMILES CCN(Cc1cccc(OC)c1)C(=O)c1nc2ccc(cc2s1)-c1cn[nH]c1
Show InChI InChI=1S/C21H20N4O2S/c1-3-25(13-14-5-4-6-17(9-14)27-2)21(26)20-24-18-8-7-15(10-19(18)28-20)16-11-22-23-12-16/h4-12H,3,13H2,1-2H3,(H,22,23)
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n/an/a 455n/an/an/an/an/an/a



Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay


Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50311733
PNG
(2-(chroman-3-yl)-6-(1H-pyrazol-4-yl)-4-(2-(tetrahy...)
Show SMILES C(CC1CCOC1)Oc1cc(cc2sc(nc12)C1COc2ccccc2C1)-c1cn[nH]c1
Show InChI InChI=1S/C25H25N3O3S/c1-2-4-21-17(3-1)9-19(15-31-21)25-28-24-22(30-8-6-16-5-7-29-14-16)10-18(11-23(24)32-25)20-12-26-27-13-20/h1-4,10-13,16,19H,5-9,14-15H2,(H,26,27)
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n/an/a 500n/an/an/an/an/an/a



Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50311727
PNG
(CHEMBL1081001 | N-(3-methoxybenzyl)-N-(2-methoxyet...)
Show SMILES COCCN(Cc1cccc(OC)c1)C(=O)c1nc2ccc(cc2s1)-c1cn[nH]c1
Show InChI InChI=1S/C22H22N4O3S/c1-28-9-8-26(14-15-4-3-5-18(10-15)29-2)22(27)21-25-19-7-6-16(11-20(19)30-21)17-12-23-24-13-17/h3-7,10-13H,8-9,14H2,1-2H3,(H,23,24)
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n/an/a 871n/an/an/an/an/an/a



Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay


Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50311730
PNG
(2-(chroman-3-yl)-6-(2-methylpyridin-4-yl)benzo[d]t...)
Show SMILES Cc1cc(ccn1)-c1ccc2nc(sc2c1)C1COc2ccccc2C1
Show InChI InChI=1S/C22H18N2OS/c1-14-10-16(8-9-23-14)15-6-7-19-21(12-15)26-22(24-19)18-11-17-4-2-3-5-20(17)25-13-18/h2-10,12,18H,11,13H2,1H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50311718
PNG
(2-(chroman-3-yl)-4-methoxy-6-(1H-pyrazol-4-yl)benz...)
Show SMILES COc1cc(cc2sc(nc12)C1COc2ccccc2C1)-c1cn[nH]c1
Show InChI InChI=1S/C20H17N3O2S/c1-24-17-7-13(15-9-21-22-10-15)8-18-19(17)23-20(26-18)14-6-12-4-2-3-5-16(12)25-11-14/h2-5,7-10,14H,6,11H2,1H3,(H,21,22)
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Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay


Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50311722
PNG
(2-(6-fluorochroman-3-yl)-6-(1H-pyrazol-4-yl)benzo[...)
Show SMILES Fc1ccc2OCC(Cc2c1)c1nc2ccc(cc2s1)-c1cn[nH]c1
Show InChI InChI=1S/C19H14FN3OS/c20-15-2-4-17-12(6-15)5-13(10-24-17)19-23-16-3-1-11(7-18(16)25-19)14-8-21-22-9-14/h1-4,6-9,13H,5,10H2,(H,21,22)
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Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay


Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50311723
PNG
(CHEMBL1079919 | methyl 3-(6-(1H-pyrazol-4-yl)benzo...)
Show SMILES COC(=O)c1ccc2OCC(Cc2c1)c1nc2ccc(cc2s1)-c1cn[nH]c1
Show InChI InChI=1S/C21H17N3O3S/c1-26-21(25)13-3-5-18-14(6-13)7-15(11-27-18)20-24-17-4-2-12(8-19(17)28-20)16-9-22-23-10-16/h2-6,8-10,15H,7,11H2,1H3,(H,22,23)
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n/an/a 1.49E+3n/an/an/an/an/an/a



Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay


Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50311714
PNG
(4-(2-(chroman-3-yl)benzo[d]thiazol-6-yl)pyrimidin-...)
Show SMILES Nc1nccc(n1)-c1ccc2nc(sc2c1)C1COc2ccccc2C1
Show InChI InChI=1S/C20H16N4OS/c21-20-22-8-7-15(24-20)12-5-6-16-18(10-12)26-19(23-16)14-9-13-3-1-2-4-17(13)25-11-14/h1-8,10,14H,9,11H2,(H2,21,22,24)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay


Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50311715
PNG
(2-(chroman-3-yl)-6-(1H-pyrazol-4-yl)benzo[d]thiazo...)
Show SMILES C1Oc2ccccc2CC1c1nc2ccc(cc2s1)-c1cn[nH]c1
Show InChI InChI=1S/C19H15N3OS/c1-2-4-17-13(3-1)7-14(11-23-17)19-22-16-6-5-12(8-18(16)24-19)15-9-20-21-10-15/h1-6,8-10,14H,7,11H2,(H,20,21)
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n/an/a 1.55E+3n/an/an/an/an/an/a



Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay


Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50311716
PNG
(2-(chroman-3-yl)-5-fluoro-6-(1H-pyrazol-4-yl)benzo...)
Show SMILES Fc1cc2nc(sc2cc1-c1cn[nH]c1)C1COc2ccccc2C1
Show InChI InChI=1S/C19H14FN3OS/c20-15-7-16-18(6-14(15)13-8-21-22-9-13)25-19(23-16)12-5-11-3-1-2-4-17(11)24-10-12/h1-4,6-9,12H,5,10H2,(H,21,22)
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n/an/a>2.70E+3n/an/an/an/an/an/a



Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay


Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50311721
PNG
(2-(6-methoxychroman-3-yl)-6-(1H-pyrazol-4-yl)benzo...)
Show SMILES COc1ccc2OCC(Cc2c1)c1nc2ccc(cc2s1)-c1cn[nH]c1
Show InChI InChI=1S/C20H17N3O2S/c1-24-16-3-5-18-13(7-16)6-14(11-25-18)20-23-17-4-2-12(8-19(17)26-20)15-9-21-22-10-15/h2-5,7-10,14H,6,11H2,1H3,(H,21,22)
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n/an/a>2.70E+3n/an/an/an/an/an/a



Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay


Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50311717
PNG
(2-(chroman-3-yl)-4-fluoro-6-(1H-pyrazol-4-yl)benzo...)
Show SMILES Fc1cc(cc2sc(nc12)C1COc2ccccc2C1)-c1cn[nH]c1
Show InChI InChI=1S/C19H14FN3OS/c20-15-6-12(14-8-21-22-9-14)7-17-18(15)23-19(25-17)13-5-11-3-1-2-4-16(11)24-10-13/h1-4,6-9,13H,5,10H2,(H,21,22)
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n/an/a>2.70E+3n/an/an/an/an/an/a



Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay


Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50311725
PNG
(CHEMBL1081193 | N-(3-methoxybenzyl)-6-(1H-pyrazol-...)
Show SMILES COc1cccc(CNC(=O)c2nc3ccc(cc3s2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C19H16N4O2S/c1-25-15-4-2-3-12(7-15)9-20-18(24)19-23-16-6-5-13(8-17(16)26-19)14-10-21-22-11-14/h2-8,10-11H,9H2,1H3,(H,20,24)(H,21,22)
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n/an/a>2.70E+3n/an/an/an/an/an/a



Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay


Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50311728
PNG
(3-(6-(1H-pyrazol-4-yl)benzo[d]thiazol-2-yl)-N-(3-(...)
Show SMILES CN(C)CCCNC(=O)c1ccc2OCC(Cc2c1)c1nc2ccc(cc2s1)-c1cn[nH]c1
Show InChI InChI=1S/C25H27N5O2S/c1-30(2)9-3-8-26-24(31)17-5-7-22-18(10-17)11-19(15-32-22)25-29-21-6-4-16(12-23(21)33-25)20-13-27-28-14-20/h4-7,10,12-14,19H,3,8-9,11,15H2,1-2H3,(H,26,31)(H,27,28)
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n/an/a 5.46E+3n/an/an/an/an/an/a



Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of JNK3


Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha


(Homo sapiens (Human))
BDBM50311726
PNG
(CHEMBL1081196 | N-ethyl-N-(3-methoxybenzyl)-6-(1H-...)
Show SMILES CCN(Cc1cccc(OC)c1)C(=O)c1nc2ccc(cc2s1)-c1cn[nH]c1
Show InChI InChI=1S/C21H20N4O2S/c1-3-25(13-14-5-4-6-17(9-14)27-2)21(26)20-24-18-8-7-15(10-19(18)28-20)16-11-22-23-12-16/h4-12H,3,13H2,1-2H3,(H,22,23)
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n/an/a 7.86E+3n/an/an/an/an/an/a



Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MRCKalpha


Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha


(Homo sapiens (Human))
BDBM50311728
PNG
(3-(6-(1H-pyrazol-4-yl)benzo[d]thiazol-2-yl)-N-(3-(...)
Show SMILES CN(C)CCCNC(=O)c1ccc2OCC(Cc2c1)c1nc2ccc(cc2s1)-c1cn[nH]c1
Show InChI InChI=1S/C25H27N5O2S/c1-30(2)9-3-8-26-24(31)17-5-7-22-18(10-17)11-19(15-32-22)25-29-21-6-4-16(12-23(21)33-25)20-13-27-28-14-20/h4-7,10,12-14,19H,3,8-9,11,15H2,1-2H3,(H,26,31)(H,27,28)
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n/an/a 9.55E+3n/an/an/an/an/an/a



Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MRCKalpha


Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50311713
PNG
(CHEMBL1080279 | N-(2-(dimethylamino)ethyl)-N-(3-me...)
Show SMILES COc1cccc(CN(CCN(C)C)C(=O)c2nc3ccc(cc3s2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C23H25N5O2S/c1-27(2)9-10-28(15-16-5-4-6-19(11-16)30-3)23(29)22-26-20-8-7-17(12-21(20)31-22)18-13-24-25-14-18/h4-8,11-14H,9-10,15H2,1-3H3,(H,24,25)
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n/an/a 1.38E+4n/an/an/an/an/an/a



Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of JNK3


Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50311726
PNG
(CHEMBL1081196 | N-ethyl-N-(3-methoxybenzyl)-6-(1H-...)
Show SMILES CCN(Cc1cccc(OC)c1)C(=O)c1nc2ccc(cc2s1)-c1cn[nH]c1
Show InChI InChI=1S/C21H20N4O2S/c1-3-25(13-14-5-4-6-17(9-14)27-2)21(26)20-24-18-8-7-15(10-19(18)28-20)16-11-22-23-12-16/h4-12H,3,13H2,1-2H3,(H,22,23)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of JNK3


Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%