Found 72 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50256067
(CHEMBL481685 | N3-(4-(1H-pyrazol-4-yl)phenyl)-N6-(...)Show SMILES CN(C)CCNC(=O)c1ccc2OCC(Cc2c1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1 Show InChI InChI=1S/C24H27N5O3/c1-29(2)10-9-25-23(30)17-5-8-22-18(11-17)12-19(15-32-22)24(31)28-21-6-3-16(4-7-21)20-13-26-27-14-20/h3-8,11,13-14,19H,9-10,12,15H2,1-2H3,(H,25,30)(H,26,27)(H,28,31) | PDB
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| n/a | n/a | <2 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50246409
(CHEMBL455658 | N-(4-(1H-pyrazol-4-yl)phenyl)-3,4-d...)Show InChI InChI=1S/C19H17N3O2/c23-19(15-9-14-3-1-2-4-18(14)24-12-15)22-17-7-5-13(6-8-17)16-10-20-21-11-16/h1-8,10-11,15H,9,12H2,(H,20,21)(H,22,23) | PDB
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM25472
(CHEMBL519123 | N-[4-(1H-pyrazol-4-yl)phenyl]-2,3-d...)Show InChI InChI=1S/C18H15N3O3/c22-18(17-11-23-15-3-1-2-4-16(15)24-17)21-14-7-5-12(6-8-14)13-9-19-20-10-13/h1-10,17H,11H2,(H,19,20)(H,21,22) | PDB
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50256383
(CHEMBL481545 | N-(2-(2-(dimethylamino)ethoxy)-4-(1...)Show SMILES CN(C)CCOc1cc(ccc1NC(=O)C1COc2ccc(F)cc2C1)-c1cn[nH]c1 Show InChI InChI=1S/C23H25FN4O3/c1-28(2)7-8-30-22-11-15(18-12-25-26-13-18)3-5-20(22)27-23(29)17-9-16-10-19(24)4-6-21(16)31-14-17/h3-6,10-13,17H,7-9,14H2,1-2H3,(H,25,26)(H,27,29) | PDB
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| n/a | n/a | <2 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50256322
(CHEMBL482336 | N-(2-(2-(dimethylamino)ethoxy)-4-(1...)Show SMILES COc1ccc2OCC(Cc2c1)C(=O)Nc1ccc(cc1OCCN(C)C)-c1cn[nH]c1 Show InChI InChI=1S/C24H28N4O4/c1-28(2)8-9-31-23-12-16(19-13-25-26-14-19)4-6-21(23)27-24(29)18-10-17-11-20(30-3)5-7-22(17)32-15-18/h4-7,11-14,18H,8-10,15H2,1-3H3,(H,25,26)(H,27,29) | PDB
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| n/a | n/a | <2 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50256436
(CHEMBL481735 | N-(2-(2-(dimethylamino)ethoxy)-4-(1...)Show SMILES CN(C)CCOc1cc(ccc1NC(=O)C1COc2ccc(C)cc2C1)-c1cn[nH]c1 Show InChI InChI=1S/C24H28N4O3/c1-16-4-7-22-18(10-16)11-19(15-31-22)24(29)27-21-6-5-17(20-13-25-26-14-20)12-23(21)30-9-8-28(2)3/h4-7,10,12-14,19H,8-9,11,15H2,1-3H3,(H,25,26)(H,27,29) | PDB
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| n/a | n/a | <2 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50256384
(6-chloro-N-(3-methoxy-4-(1H-pyrazol-4-yl)phenyl)ch...)Show SMILES COc1cc(NC(=O)C2COc3ccc(Cl)cc3C2)ccc1-c1cn[nH]c1 Show InChI InChI=1S/C20H18ClN3O3/c1-26-19-8-16(3-4-17(19)14-9-22-23-10-14)24-20(25)13-6-12-7-15(21)2-5-18(12)27-11-13/h2-5,7-10,13H,6,11H2,1H3,(H,22,23)(H,24,25) | PDB
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50256068
(6-methoxy-N-(3-methoxy-4-(1H-pyrazol-4-yl)phenyl)c...)Show SMILES COc1ccc2OCC(Cc2c1)C(=O)Nc1ccc(-c2cn[nH]c2)c(OC)c1 Show InChI InChI=1S/C21H21N3O4/c1-26-17-4-6-19-13(8-17)7-14(12-28-19)21(25)24-16-3-5-18(20(9-16)27-2)15-10-22-23-11-15/h3-6,8-11,14H,7,12H2,1-2H3,(H,22,23)(H,24,25) | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50256385
(6-chloro-N-(2-methoxy-4-(1H-pyrazol-4-yl)phenyl)ch...)Show SMILES COc1cc(ccc1NC(=O)C1COc2ccc(Cl)cc2C1)-c1cn[nH]c1 Show InChI InChI=1S/C20H18ClN3O3/c1-26-19-8-12(15-9-22-23-10-15)2-4-17(19)24-20(25)14-6-13-7-16(21)3-5-18(13)27-11-14/h2-5,7-10,14H,6,11H2,1H3,(H,22,23)(H,24,25) | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50256163
(CHEMBL474425 | N-(2-(2-(dimethylamino)ethoxy)-4-(1...)Show SMILES CN(C)CCOc1cc(ccc1NC(=O)C1COc2ccccc2C1)-c1cn[nH]c1 Show InChI InChI=1S/C23H26N4O3/c1-27(2)9-10-29-22-12-16(19-13-24-25-14-19)7-8-20(22)26-23(28)18-11-17-5-3-4-6-21(17)30-15-18/h3-8,12-14,18H,9-11,15H2,1-2H3,(H,24,25)(H,26,28) | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50256111
(CHEMBL480586 | N-(2-methoxy-4-(1H-pyrazol-4-yl)phe...)Show SMILES COc1cc(ccc1NC(=O)C1COc2ccccc2C1)-c1cn[nH]c1 Show InChI InChI=1S/C20H19N3O3/c1-25-19-9-13(16-10-21-22-11-16)6-7-17(19)23-20(24)15-8-14-4-2-3-5-18(14)26-12-15/h2-7,9-11,15H,8,12H2,1H3,(H,21,22)(H,23,24) | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50256166
(CHEMBL475601 | N-(4-(1H-pyrazol-4-yl)phenyl)-6-met...)Show SMILES COc1ccc2OCC(Cc2c1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1 Show InChI InChI=1S/C20H19N3O3/c1-25-18-6-7-19-14(9-18)8-15(12-26-19)20(24)23-17-4-2-13(3-5-17)16-10-21-22-11-16/h2-7,9-11,15H,8,12H2,1H3,(H,21,22)(H,23,24) | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50256382
(6-fluoro-N-(2-methoxy-4-(1H-pyrazol-4-yl)phenyl)ch...)Show SMILES COc1cc(ccc1NC(=O)C1COc2ccc(F)cc2C1)-c1cn[nH]c1 Show InChI InChI=1S/C20H18FN3O3/c1-26-19-8-12(15-9-22-23-10-15)2-4-17(19)24-20(25)14-6-13-7-16(21)3-5-18(13)27-11-14/h2-5,7-10,14H,6,11H2,1H3,(H,22,23)(H,24,25) | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50256069
(6-methoxy-N-(2-methoxy-4-(1H-pyrazol-4-yl)phenyl)c...)Show SMILES COc1ccc2OCC(Cc2c1)C(=O)Nc1ccc(cc1OC)-c1cn[nH]c1 Show InChI InChI=1S/C21H21N3O4/c1-26-17-4-6-19-14(8-17)7-15(12-28-19)21(25)24-18-5-3-13(9-20(18)27-2)16-10-22-23-11-16/h3-6,8-11,15H,7,12H2,1-2H3,(H,22,23)(H,24,25) | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50256112
(CHEMBL519101 | N-(2-fluoro-4-(1H-pyrazol-4-yl)phen...)Show InChI InChI=1S/C19H16FN3O2/c20-16-8-12(15-9-21-22-10-15)5-6-17(16)23-19(24)14-7-13-3-1-2-4-18(13)25-11-14/h1-6,8-10,14H,7,11H2,(H,21,22)(H,23,24) | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50256223
(CHEMBL475612 | N-(4-(1H-pyrazol-4-yl)phenyl)-6-flu...)Show SMILES Fc1ccc2OCC(Cc2c1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1 Show InChI InChI=1S/C19H16FN3O2/c20-16-3-6-18-13(8-16)7-14(11-25-18)19(24)23-17-4-1-12(2-5-17)15-9-21-22-10-15/h1-6,8-10,14H,7,11H2,(H,21,22)(H,23,24) | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50256110
(CHEMBL480585 | N-(3-methoxy-4-(1H-pyrazol-4-yl)phe...)Show SMILES COc1cc(NC(=O)C2COc3ccccc3C2)ccc1-c1cn[nH]c1 Show InChI InChI=1S/C20H19N3O3/c1-25-19-9-16(6-7-17(19)15-10-21-22-11-15)23-20(24)14-8-13-4-2-3-5-18(13)26-12-14/h2-7,9-11,14H,8,12H2,1H3,(H,21,22)(H,23,24) | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50256113
(CHEMBL480746 | N-(3,5-difluoro-4-(1H-pyrazol-4-yl)...)Show SMILES Fc1cc(NC(=O)C2COc3ccccc3C2)cc(F)c1-c1cn[nH]c1 Show InChI InChI=1S/C19H15F2N3O2/c20-15-6-14(7-16(21)18(15)13-8-22-23-9-13)24-19(25)12-5-11-3-1-2-4-17(11)26-10-12/h1-4,6-9,12H,5,10H2,(H,22,23)(H,24,25) | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50256435
(CHEMBL519269 | N-(2-methoxy-4-(1H-pyrazol-4-yl)phe...)Show SMILES COc1cc(ccc1NC(=O)C1COc2ccc(C)cc2C1)-c1cn[nH]c1 Show InChI InChI=1S/C21H21N3O3/c1-13-3-6-19-15(7-13)8-16(12-27-19)21(25)24-18-5-4-14(9-20(18)26-2)17-10-22-23-11-17/h3-7,9-11,16H,8,12H2,1-2H3,(H,22,23)(H,24,25) | PDB
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| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50256224
(CHEMBL475613 | N-(4-(1H-pyrazol-4-yl)phenyl)-6-chl...)Show SMILES Clc1ccc2OCC(Cc2c1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1 Show InChI InChI=1S/C19H16ClN3O2/c20-16-3-6-18-13(8-16)7-14(11-25-18)19(24)23-17-4-1-12(2-5-17)15-9-21-22-10-15/h1-6,8-10,14H,7,11H2,(H,21,22)(H,23,24) | PDB
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PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50256386
(6-chloro-N-(2-(2-(dimethylamino)ethoxy)-4-(1H-pyra...)Show SMILES CN(C)CCOc1cc(ccc1NC(=O)C1COc2ccc(Cl)cc2C1)-c1cn[nH]c1 Show InChI InChI=1S/C23H25ClN4O3/c1-28(2)7-8-30-22-11-15(18-12-25-26-13-18)3-5-20(22)27-23(29)17-9-16-10-19(24)4-6-21(16)31-14-17/h3-6,10-13,17H,7-9,14H2,1-2H3,(H,25,26)(H,27,29) | PDB
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PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50256114
(CHEMBL481731 | N-(5-fluoro-2-methoxy-4-(1H-pyrazol...)Show SMILES COc1cc(-c2cn[nH]c2)c(F)cc1NC(=O)C1COc2ccccc2C1 Show InChI InChI=1S/C20H18FN3O3/c1-26-19-7-15(14-9-22-23-10-14)16(21)8-17(19)24-20(25)13-6-12-4-2-3-5-18(12)27-11-13/h2-5,7-10,13H,6,11H2,1H3,(H,22,23)(H,24,25) | PDB
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PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50256383
(CHEMBL481545 | N-(2-(2-(dimethylamino)ethoxy)-4-(1...)Show SMILES CN(C)CCOc1cc(ccc1NC(=O)C1COc2ccc(F)cc2C1)-c1cn[nH]c1 Show InChI InChI=1S/C23H25FN4O3/c1-28(2)7-8-30-22-11-15(18-12-25-26-13-18)3-5-20(22)27-23(29)17-9-16-10-19(24)4-6-21(16)31-14-17/h3-6,10-13,17H,7-9,14H2,1-2H3,(H,25,26)(H,27,29) | PDB
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| n/a | n/a | <6 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50256069
(6-methoxy-N-(2-methoxy-4-(1H-pyrazol-4-yl)phenyl)c...)Show SMILES COc1ccc2OCC(Cc2c1)C(=O)Nc1ccc(cc1OC)-c1cn[nH]c1 Show InChI InChI=1S/C21H21N3O4/c1-26-17-4-6-19-14(8-17)7-15(12-28-19)21(25)24-18-5-3-13(9-20(18)27-2)16-10-22-23-11-16/h3-6,8-11,15H,7,12H2,1-2H3,(H,22,23)(H,24,25) | PDB
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| n/a | n/a | <6 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50256323
(6-fluoro-N-(3-methoxy-4-(1H-pyrazol-4-yl)phenyl)ch...)Show SMILES COc1cc(NC(=O)C2COc3ccc(F)cc3C2)ccc1-c1cn[nH]c1 Show InChI InChI=1S/C20H18FN3O3/c1-26-19-8-16(3-4-17(19)14-9-22-23-10-14)24-20(25)13-6-12-7-15(21)2-5-18(12)27-11-13/h2-5,7-10,13H,6,11H2,1H3,(H,22,23)(H,24,25) | PDB
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| Article
PubMed
| n/a | n/a | <6 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50256114
(CHEMBL481731 | N-(5-fluoro-2-methoxy-4-(1H-pyrazol...)Show SMILES COc1cc(-c2cn[nH]c2)c(F)cc1NC(=O)C1COc2ccccc2C1 Show InChI InChI=1S/C20H18FN3O3/c1-26-19-7-15(14-9-22-23-10-14)16(21)8-17(19)24-20(25)13-6-12-4-2-3-5-18(12)27-11-13/h2-5,7-10,13H,6,11H2,1H3,(H,22,23)(H,24,25) | PDB
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| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50256386
(6-chloro-N-(2-(2-(dimethylamino)ethoxy)-4-(1H-pyra...)Show SMILES CN(C)CCOc1cc(ccc1NC(=O)C1COc2ccc(Cl)cc2C1)-c1cn[nH]c1 Show InChI InChI=1S/C23H25ClN4O3/c1-28(2)7-8-30-22-11-15(18-12-25-26-13-18)3-5-20(22)27-23(29)17-9-16-10-19(24)4-6-21(16)31-14-17/h3-6,10-13,17H,7-9,14H2,1-2H3,(H,25,26)(H,27,29) | PDB
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| n/a | n/a | <6 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50256382
(6-fluoro-N-(2-methoxy-4-(1H-pyrazol-4-yl)phenyl)ch...)Show SMILES COc1cc(ccc1NC(=O)C1COc2ccc(F)cc2C1)-c1cn[nH]c1 Show InChI InChI=1S/C20H18FN3O3/c1-26-19-8-12(15-9-22-23-10-15)2-4-17(19)24-20(25)14-6-13-7-16(21)3-5-18(13)27-11-14/h2-5,7-10,14H,6,11H2,1H3,(H,22,23)(H,24,25) | PDB
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| n/a | n/a | <6 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50256111
(CHEMBL480586 | N-(2-methoxy-4-(1H-pyrazol-4-yl)phe...)Show SMILES COc1cc(ccc1NC(=O)C1COc2ccccc2C1)-c1cn[nH]c1 Show InChI InChI=1S/C20H19N3O3/c1-25-19-9-13(16-10-21-22-11-16)6-7-17(19)23-20(24)15-8-14-4-2-3-5-18(14)26-12-15/h2-7,9-11,15H,8,12H2,1H3,(H,21,22)(H,23,24) | PDB
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PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50256322
(CHEMBL482336 | N-(2-(2-(dimethylamino)ethoxy)-4-(1...)Show SMILES COc1ccc2OCC(Cc2c1)C(=O)Nc1ccc(cc1OCCN(C)C)-c1cn[nH]c1 Show InChI InChI=1S/C24H28N4O4/c1-28(2)8-9-31-23-12-16(19-13-25-26-14-19)4-6-21(23)27-24(29)18-10-17-11-20(30-3)5-7-22(17)32-15-18/h4-7,11-14,18H,8-10,15H2,1-3H3,(H,25,26)(H,27,29) | PDB
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| Article
PubMed
| n/a | n/a | <6 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50256163
(CHEMBL474425 | N-(2-(2-(dimethylamino)ethoxy)-4-(1...)Show SMILES CN(C)CCOc1cc(ccc1NC(=O)C1COc2ccccc2C1)-c1cn[nH]c1 Show InChI InChI=1S/C23H26N4O3/c1-27(2)9-10-29-22-12-16(19-13-24-25-14-19)7-8-20(22)26-23(28)18-11-17-5-3-4-6-21(17)30-15-18/h3-8,12-14,18H,9-11,15H2,1-2H3,(H,24,25)(H,26,28) | PDB
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50256068
(6-methoxy-N-(3-methoxy-4-(1H-pyrazol-4-yl)phenyl)c...)Show SMILES COc1ccc2OCC(Cc2c1)C(=O)Nc1ccc(-c2cn[nH]c2)c(OC)c1 Show InChI InChI=1S/C21H21N3O4/c1-26-17-4-6-19-13(8-17)7-14(12-28-19)21(25)24-16-3-5-18(20(9-16)27-2)15-10-22-23-11-15/h3-6,8-11,14H,7,12H2,1-2H3,(H,22,23)(H,24,25) | PDB
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| n/a | n/a | <6 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50256323
(6-fluoro-N-(3-methoxy-4-(1H-pyrazol-4-yl)phenyl)ch...)Show SMILES COc1cc(NC(=O)C2COc3ccc(F)cc3C2)ccc1-c1cn[nH]c1 Show InChI InChI=1S/C20H18FN3O3/c1-26-19-8-16(3-4-17(19)14-9-22-23-10-14)24-20(25)13-6-12-7-15(21)2-5-18(12)27-11-13/h2-5,7-10,13H,6,11H2,1H3,(H,22,23)(H,24,25) | PDB
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| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50256110
(CHEMBL480585 | N-(3-methoxy-4-(1H-pyrazol-4-yl)phe...)Show SMILES COc1cc(NC(=O)C2COc3ccccc3C2)ccc1-c1cn[nH]c1 Show InChI InChI=1S/C20H19N3O3/c1-25-19-9-16(6-7-17(19)15-10-21-22-11-15)23-20(24)14-8-13-4-2-3-5-18(13)26-12-14/h2-7,9-11,14H,8,12H2,1H3,(H,21,22)(H,23,24) | PDB
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| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50256162
(CHEMBL514172 | N-(2-fluoro-5-methoxy-4-(1H-pyrazol...)Show SMILES COc1cc(NC(=O)C2COc3ccccc3C2)c(F)cc1-c1cn[nH]c1 Show InChI InChI=1S/C20H18FN3O3/c1-26-19-8-17(16(21)7-15(19)14-9-22-23-10-14)24-20(25)13-6-12-4-2-3-5-18(12)27-11-13/h2-5,7-10,13H,6,11H2,1H3,(H,22,23)(H,24,25) | PDB
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| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50256066
(CHEMBL481684 | methyl 3-(4-(1H-pyrazol-4-yl)phenyl...)Show SMILES COC(=O)c1ccc2OCC(Cc2c1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1 Show InChI InChI=1S/C21H19N3O4/c1-27-21(26)14-4-7-19-15(8-14)9-16(12-28-19)20(25)24-18-5-2-13(3-6-18)17-10-22-23-11-17/h2-8,10-11,16H,9,12H2,1H3,(H,22,23)(H,24,25) | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50256225
(CHEMBL482309 | N-(4-(1H-pyrazol-4-yl)phenyl)-6-met...)Show SMILES Cc1ccc2OCC(Cc2c1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1 Show InChI InChI=1S/C20H19N3O2/c1-13-2-7-19-15(8-13)9-16(12-25-19)20(24)23-18-5-3-14(4-6-18)17-10-21-22-11-17/h2-8,10-11,16H,9,12H2,1H3,(H,21,22)(H,23,24) | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50256434
(CHEMBL481889 | N-(3-methoxy-4-(1H-pyrazol-4-yl)phe...)Show SMILES COc1cc(NC(=O)C2COc3ccc(C)cc3C2)ccc1-c1cn[nH]c1 Show InChI InChI=1S/C21H21N3O3/c1-13-3-6-19-14(7-13)8-15(12-27-19)21(25)24-17-4-5-18(20(9-17)26-2)16-10-22-23-11-16/h3-7,9-11,15H,8,12H2,1-2H3,(H,22,23)(H,24,25) | PDB
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50256113
(CHEMBL480746 | N-(3,5-difluoro-4-(1H-pyrazol-4-yl)...)Show SMILES Fc1cc(NC(=O)C2COc3ccccc3C2)cc(F)c1-c1cn[nH]c1 Show InChI InChI=1S/C19H15F2N3O2/c20-15-6-14(7-16(21)18(15)13-8-22-23-9-13)24-19(25)12-5-11-3-1-2-4-17(11)26-10-12/h1-4,6-9,12H,5,10H2,(H,22,23)(H,24,25) | PDB
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50256436
(CHEMBL481735 | N-(2-(2-(dimethylamino)ethoxy)-4-(1...)Show SMILES CN(C)CCOc1cc(ccc1NC(=O)C1COc2ccc(C)cc2C1)-c1cn[nH]c1 Show InChI InChI=1S/C24H28N4O3/c1-16-4-7-22-18(10-16)11-19(15-31-22)24(29)27-21-6-5-17(20-13-25-26-14-20)12-23(21)30-9-8-28(2)3/h4-7,10,12-14,19H,8-9,11,15H2,1-3H3,(H,25,26)(H,27,29) | PDB
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50256162
(CHEMBL514172 | N-(2-fluoro-5-methoxy-4-(1H-pyrazol...)Show SMILES COc1cc(NC(=O)C2COc3ccccc3C2)c(F)cc1-c1cn[nH]c1 Show InChI InChI=1S/C20H18FN3O3/c1-26-19-8-17(16(21)7-15(19)14-9-22-23-10-14)24-20(25)13-6-12-4-2-3-5-18(12)27-11-13/h2-5,7-10,13H,6,11H2,1H3,(H,22,23)(H,24,25) | PDB
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| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50256066
(CHEMBL481684 | methyl 3-(4-(1H-pyrazol-4-yl)phenyl...)Show SMILES COC(=O)c1ccc2OCC(Cc2c1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1 Show InChI InChI=1S/C21H19N3O4/c1-27-21(26)14-4-7-19-15(8-14)9-16(12-28-19)20(25)24-18-5-2-13(3-6-18)17-10-22-23-11-17/h2-8,10-11,16H,9,12H2,1H3,(H,22,23)(H,24,25) | PDB
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50246409
(CHEMBL455658 | N-(4-(1H-pyrazol-4-yl)phenyl)-3,4-d...)Show InChI InChI=1S/C19H17N3O2/c23-19(15-9-14-3-1-2-4-18(14)24-12-15)22-17-7-5-13(6-8-17)16-10-20-21-11-16/h1-8,10-11,15H,9,12H2,(H,20,21)(H,22,23) | PDB
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| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50256226
(3-(4-(1H-pyrazol-4-yl)phenylcarbamoyl)chroman-6-ca...)Show SMILES OC(=O)c1ccc2OCC(Cc2c1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1 Show InChI InChI=1S/C20H17N3O4/c24-19(23-17-4-1-12(2-5-17)16-9-21-22-10-16)15-8-14-7-13(20(25)26)3-6-18(14)27-11-15/h1-7,9-10,15H,8,11H2,(H,21,22)(H,23,24)(H,25,26) | PDB
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50256435
(CHEMBL519269 | N-(2-methoxy-4-(1H-pyrazol-4-yl)phe...)Show SMILES COc1cc(ccc1NC(=O)C1COc2ccc(C)cc2C1)-c1cn[nH]c1 Show InChI InChI=1S/C21H21N3O3/c1-13-3-6-19-15(7-13)8-16(12-27-19)21(25)24-18-5-4-14(9-20(18)26-2)17-10-22-23-11-17/h3-7,9-11,16H,8,12H2,1-2H3,(H,22,23)(H,24,25) | PDB
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| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50256166
(CHEMBL475601 | N-(4-(1H-pyrazol-4-yl)phenyl)-6-met...)Show SMILES COc1ccc2OCC(Cc2c1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1 Show InChI InChI=1S/C20H19N3O3/c1-25-18-6-7-19-14(9-18)8-15(12-26-19)20(24)23-17-4-2-13(3-5-17)16-10-21-22-11-16/h2-7,9-11,15H,8,12H2,1H3,(H,21,22)(H,23,24) | PDB
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| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50256384
(6-chloro-N-(3-methoxy-4-(1H-pyrazol-4-yl)phenyl)ch...)Show SMILES COc1cc(NC(=O)C2COc3ccc(Cl)cc3C2)ccc1-c1cn[nH]c1 Show InChI InChI=1S/C20H18ClN3O3/c1-26-19-8-16(3-4-17(19)14-9-22-23-10-14)24-20(25)13-6-12-7-15(21)2-5-18(12)27-11-13/h2-5,7-10,13H,6,11H2,1H3,(H,22,23)(H,24,25) | PDB
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| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50256067
(CHEMBL481685 | N3-(4-(1H-pyrazol-4-yl)phenyl)-N6-(...)Show SMILES CN(C)CCNC(=O)c1ccc2OCC(Cc2c1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1 Show InChI InChI=1S/C24H27N5O3/c1-29(2)10-9-25-23(30)17-5-8-22-18(11-17)12-19(15-32-22)24(31)28-21-6-3-16(4-7-21)20-13-26-27-14-20/h3-8,11,13-14,19H,9-10,12,15H2,1-2H3,(H,25,30)(H,26,27)(H,28,31) | PDB
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| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50256434
(CHEMBL481889 | N-(3-methoxy-4-(1H-pyrazol-4-yl)phe...)Show SMILES COc1cc(NC(=O)C2COc3ccc(C)cc3C2)ccc1-c1cn[nH]c1 Show InChI InChI=1S/C21H21N3O3/c1-13-3-6-19-14(7-13)8-15(12-27-19)21(25)24-17-4-5-18(20(9-17)26-2)16-10-22-23-11-16/h3-7,9-11,15H,8,12H2,1-2H3,(H,22,23)(H,24,25) | PDB
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| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50256385
(6-chloro-N-(2-methoxy-4-(1H-pyrazol-4-yl)phenyl)ch...)Show SMILES COc1cc(ccc1NC(=O)C1COc2ccc(Cl)cc2C1)-c1cn[nH]c1 Show InChI InChI=1S/C20H18ClN3O3/c1-26-19-8-12(15-9-22-23-10-15)2-4-17(19)24-20(25)14-6-13-7-16(21)3-5-18(13)27-11-14/h2-5,7-10,14H,6,11H2,1H3,(H,22,23)(H,24,25) | PDB
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| n/a | n/a | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50256223
(CHEMBL475612 | N-(4-(1H-pyrazol-4-yl)phenyl)-6-flu...)Show SMILES Fc1ccc2OCC(Cc2c1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1 Show InChI InChI=1S/C19H16FN3O2/c20-16-3-6-18-13(8-16)7-14(11-25-18)19(24)23-17-4-1-12(2-5-17)15-9-21-22-10-15/h1-6,8-10,14H,7,11H2,(H,21,22)(H,23,24) | PDB
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| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM25472
(CHEMBL519123 | N-[4-(1H-pyrazol-4-yl)phenyl]-2,3-d...)Show InChI InChI=1S/C18H15N3O3/c22-18(17-11-23-15-3-1-2-4-16(15)24-17)21-14-7-5-12(6-8-14)13-9-19-20-10-13/h1-10,17H,11H2,(H,19,20)(H,21,22) | PDB
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| n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50256321
(CHEMBL482163 | N-(4-(1H-pyrazol-4-yl)phenyl)-6-(4-...)Show SMILES CN1CCN(CC1)C(=O)c1ccc2OCC(Cc2c1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1 Show InChI InChI=1S/C25H27N5O3/c1-29-8-10-30(11-9-29)25(32)18-4-7-23-19(12-18)13-20(16-33-23)24(31)28-22-5-2-17(3-6-22)21-14-26-27-15-21/h2-7,12,14-15,20H,8-11,13,16H2,1H3,(H,26,27)(H,28,31) | PDB
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| n/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase MRCK alpha
(Homo sapiens (Human)) | BDBM50256383
(CHEMBL481545 | N-(2-(2-(dimethylamino)ethoxy)-4-(1...)Show SMILES CN(C)CCOc1cc(ccc1NC(=O)C1COc2ccc(F)cc2C1)-c1cn[nH]c1 Show InChI InChI=1S/C23H25FN4O3/c1-28(2)7-8-30-22-11-15(18-12-25-26-13-18)3-5-20(22)27-23(29)17-9-16-10-19(24)4-6-21(16)31-14-17/h3-6,10-13,17H,7-9,14H2,1-2H3,(H,25,26)(H,27,29) | PDB
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| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of MRCKalpha |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50256112
(CHEMBL519101 | N-(2-fluoro-4-(1H-pyrazol-4-yl)phen...)Show InChI InChI=1S/C19H16FN3O2/c20-16-8-12(15-9-21-22-10-15)5-6-17(16)23-19(24)14-7-13-3-1-2-4-18(13)25-11-14/h1-6,8-10,14H,7,11H2,(H,21,22)(H,23,24) | PDB
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| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50256227
(CHEMBL482310 | N3-(4-(1H-pyrazol-4-yl)phenyl)-N6,N...)Show SMILES CN(C)C(=O)c1ccc2OCC(Cc2c1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1 Show InChI InChI=1S/C22H22N4O3/c1-26(2)22(28)15-5-8-20-16(9-15)10-17(13-29-20)21(27)25-19-6-3-14(4-7-19)18-11-23-24-12-18/h3-9,11-12,17H,10,13H2,1-2H3,(H,23,24)(H,25,27) | PDB
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| n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50256320
(CHEMBL481509 | N3-(4-(1H-pyrazol-4-yl)phenyl)-N6-(...)Show SMILES CN(C)CCN(C)C(=O)c1ccc2OCC(Cc2c1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1 Show InChI InChI=1S/C25H29N5O3/c1-29(2)10-11-30(3)25(32)18-6-9-23-19(12-18)13-20(16-33-23)24(31)28-22-7-4-17(5-8-22)21-14-26-27-15-21/h4-9,12,14-15,20H,10-11,13,16H2,1-3H3,(H,26,27)(H,28,31) | PDB
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UniChem
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| Article
PubMed
| n/a | n/a | 93 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase MRCK alpha
(Homo sapiens (Human)) | BDBM50256322
(CHEMBL482336 | N-(2-(2-(dimethylamino)ethoxy)-4-(1...)Show SMILES COc1ccc2OCC(Cc2c1)C(=O)Nc1ccc(cc1OCCN(C)C)-c1cn[nH]c1 Show InChI InChI=1S/C24H28N4O4/c1-28(2)8-9-31-23-12-16(19-13-25-26-14-19)4-6-21(23)27-24(29)18-10-17-11-20(30-3)5-7-22(17)32-15-18/h4-7,11-14,18H,8-10,15H2,1-3H3,(H,25,26)(H,27,29) | PDB
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| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of MRCKalpha |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase MRCK alpha
(Homo sapiens (Human)) | BDBM50256163
(CHEMBL474425 | N-(2-(2-(dimethylamino)ethoxy)-4-(1...)Show SMILES CN(C)CCOc1cc(ccc1NC(=O)C1COc2ccccc2C1)-c1cn[nH]c1 Show InChI InChI=1S/C23H26N4O3/c1-27(2)9-10-29-22-12-16(19-13-24-25-14-19)7-8-20(22)26-23(28)18-11-17-5-3-4-6-21(17)30-15-18/h3-8,12-14,18H,9-11,15H2,1-2H3,(H,24,25)(H,26,28) | PDB
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PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of MRCKalpha |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50256165
(CHEMBL474593 | N-(4-(1H-pyrazol-4-yl)phenyl)-8-met...)Show SMILES COc1cccc2CC(COc12)C(=O)Nc1ccc(cc1)-c1cn[nH]c1 Show InChI InChI=1S/C20H19N3O3/c1-25-18-4-2-3-14-9-15(12-26-19(14)18)20(24)23-17-7-5-13(6-8-17)16-10-21-22-11-16/h2-8,10-11,15H,9,12H2,1H3,(H,21,22)(H,23,24) | PDB
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| Article
PubMed
| n/a | n/a | 285 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50256227
(CHEMBL482310 | N3-(4-(1H-pyrazol-4-yl)phenyl)-N6,N...)Show SMILES CN(C)C(=O)c1ccc2OCC(Cc2c1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1 Show InChI InChI=1S/C22H22N4O3/c1-26(2)22(28)15-5-8-20-16(9-15)10-17(13-29-20)21(27)25-19-6-3-14(4-7-19)18-11-23-24-12-18/h3-9,11-12,17H,10,13H2,1-2H3,(H,23,24)(H,25,27) | PDB
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| Article
PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50256164
(CHEMBL474426 | N-(3-(2-(dimethylamino)ethoxy)-4-(1...)Show SMILES CN(C)CCOc1cc(NC(=O)C2COc3ccccc3C2)ccc1-c1cn[nH]c1 Show InChI InChI=1S/C23H26N4O3/c1-27(2)9-10-29-22-12-19(7-8-20(22)18-13-24-25-14-18)26-23(28)17-11-16-5-3-4-6-21(16)30-15-17/h3-8,12-14,17H,9-11,15H2,1-2H3,(H,24,25)(H,26,28) | PDB
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| Article
PubMed
| n/a | n/a | 640 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50256226
(3-(4-(1H-pyrazol-4-yl)phenylcarbamoyl)chroman-6-ca...)Show SMILES OC(=O)c1ccc2OCC(Cc2c1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1 Show InChI InChI=1S/C20H17N3O4/c24-19(23-17-4-1-12(2-5-17)16-9-21-22-10-16)15-8-14-7-13(20(25)26)3-6-18(14)27-11-15/h1-7,9-10,15H,8,11H2,(H,21,22)(H,23,24)(H,25,26) | PDB
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| Article
PubMed
| n/a | n/a | 751 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50256320
(CHEMBL481509 | N3-(4-(1H-pyrazol-4-yl)phenyl)-N6-(...)Show SMILES CN(C)CCN(C)C(=O)c1ccc2OCC(Cc2c1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1 Show InChI InChI=1S/C25H29N5O3/c1-29(2)10-11-30(3)25(32)18-6-9-23-19(12-18)13-20(16-33-23)24(31)28-22-7-4-17(5-8-22)21-14-26-27-15-21/h4-9,12,14-15,20H,10-11,13,16H2,1-3H3,(H,26,27)(H,28,31) | PDB
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UniChem
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| Article
PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50256224
(CHEMBL475613 | N-(4-(1H-pyrazol-4-yl)phenyl)-6-chl...)Show SMILES Clc1ccc2OCC(Cc2c1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1 Show InChI InChI=1S/C19H16ClN3O2/c20-16-3-6-18-13(8-16)7-14(11-25-18)19(24)23-17-4-1-12(2-5-17)15-9-21-22-10-15/h1-6,8-10,14H,7,11H2,(H,21,22)(H,23,24) | PDB
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UniChem
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| Article
PubMed
| n/a | n/a | 3.49E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50256225
(CHEMBL482309 | N-(4-(1H-pyrazol-4-yl)phenyl)-6-met...)Show SMILES Cc1ccc2OCC(Cc2c1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1 Show InChI InChI=1S/C20H19N3O2/c1-13-2-7-19-15(8-13)9-16(12-25-19)20(24)23-18-5-3-14(4-6-18)17-10-21-22-11-17/h2-8,10-11,16H,9,12H2,1H3,(H,21,22)(H,23,24) | PDB
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| Article
PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM50256163
(CHEMBL474425 | N-(2-(2-(dimethylamino)ethoxy)-4-(1...)Show SMILES CN(C)CCOc1cc(ccc1NC(=O)C1COc2ccccc2C1)-c1cn[nH]c1 Show InChI InChI=1S/C23H26N4O3/c1-27(2)9-10-29-22-12-16(19-13-24-25-14-19)7-8-20(22)26-23(28)18-11-17-5-3-4-6-21(17)30-15-18/h3-8,12-14,18H,9-11,15H2,1-2H3,(H,24,25)(H,26,28) | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK3 |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM50256322
(CHEMBL482336 | N-(2-(2-(dimethylamino)ethoxy)-4-(1...)Show SMILES COc1ccc2OCC(Cc2c1)C(=O)Nc1ccc(cc1OCCN(C)C)-c1cn[nH]c1 Show InChI InChI=1S/C24H28N4O4/c1-28(2)8-9-31-23-12-16(19-13-25-26-14-19)4-6-21(23)27-24(29)18-10-17-11-20(30-3)5-7-22(17)32-15-18/h4-7,11-14,18H,8-10,15H2,1-3H3,(H,25,26)(H,27,29) | PDB
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PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK3 |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50256163
(CHEMBL474425 | N-(2-(2-(dimethylamino)ethoxy)-4-(1...)Show SMILES CN(C)CCOc1cc(ccc1NC(=O)C1COc2ccccc2C1)-c1cn[nH]c1 Show InChI InChI=1S/C23H26N4O3/c1-27(2)9-10-29-22-12-16(19-13-24-25-14-19)7-8-20(22)26-23(28)18-11-17-5-3-4-6-21(17)30-15-18/h3-8,12-14,18H,9-11,15H2,1-2H3,(H,24,25)(H,26,28) | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of AKT1 |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50256322
(CHEMBL482336 | N-(2-(2-(dimethylamino)ethoxy)-4-(1...)Show SMILES COc1ccc2OCC(Cc2c1)C(=O)Nc1ccc(cc1OCCN(C)C)-c1cn[nH]c1 Show InChI InChI=1S/C24H28N4O4/c1-28(2)8-9-31-23-12-16(19-13-25-26-14-19)4-6-21(23)27-24(29)18-10-17-11-20(30-3)5-7-22(17)32-15-18/h4-7,11-14,18H,8-10,15H2,1-3H3,(H,25,26)(H,27,29) | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of AKT1 |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM50256383
(CHEMBL481545 | N-(2-(2-(dimethylamino)ethoxy)-4-(1...)Show SMILES CN(C)CCOc1cc(ccc1NC(=O)C1COc2ccc(F)cc2C1)-c1cn[nH]c1 Show InChI InChI=1S/C23H25FN4O3/c1-28(2)7-8-30-22-11-15(18-12-25-26-13-18)3-5-20(22)27-23(29)17-9-16-10-19(24)4-6-21(16)31-14-17/h3-6,10-13,17H,7-9,14H2,1-2H3,(H,25,26)(H,27,29) | PDB
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UniChem
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PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK3 |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50256383
(CHEMBL481545 | N-(2-(2-(dimethylamino)ethoxy)-4-(1...)Show SMILES CN(C)CCOc1cc(ccc1NC(=O)C1COc2ccc(F)cc2C1)-c1cn[nH]c1 Show InChI InChI=1S/C23H25FN4O3/c1-28(2)7-8-30-22-11-15(18-12-25-26-13-18)3-5-20(22)27-23(29)17-9-16-10-19(24)4-6-21(16)31-14-17/h3-6,10-13,17H,7-9,14H2,1-2H3,(H,25,26)(H,27,29) | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of AKT1 |
Bioorg Med Chem Lett 18: 6406-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC |
More data for this
Ligand-Target Pair | |
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