Found 36 hits Enz. Inhib. hit(s) with all data for entry = 50027605 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)) | BDBM50246459
(3-(6-(2-aminopyrimidin-4-yl)-1H-benzo[d]imidazol-2...)Show SMILES Nc1nccc(n1)-c1ccc2[nH]c(nc2c1)C1COc2ccc(cc2C1)C(=O)NC1CC1 Show InChI InChI=1S/C24H22N6O2/c25-24-26-8-7-18(30-24)13-1-5-19-20(11-13)29-22(28-19)16-10-15-9-14(2-6-21(15)32-12-16)23(31)27-17-3-4-17/h1-2,5-9,11,16-17H,3-4,10,12H2,(H,27,31)(H,28,29)(H2,25,26,30) | PDB
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| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Florida
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6390-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.095
BindingDB Entry DOI: 10.7270/Q2T43SX6 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50246460
(3-(6-(2-aminopyrimidin-4-yl)-1H-benzo[d]imidazol-2...)Show SMILES Nc1nccc(n1)-c1ccc2[nH]c(nc2c1)C1COc2ccc(cc2C1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C28H24N6O2/c29-28-30-11-10-22(34-28)18-6-8-23-24(14-18)33-26(32-23)21-13-20-12-19(7-9-25(20)36-16-21)27(35)31-15-17-4-2-1-3-5-17/h1-12,14,21H,13,15-16H2,(H,31,35)(H,32,33)(H2,29,30,34) | PDB
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| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Florida
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6390-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.095
BindingDB Entry DOI: 10.7270/Q2T43SX6 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50246461
(4-(7-fluoro-2-(6-methoxy-3,4-dihydro-2H-chromen-3-...)Show SMILES COc1ccc2OCC(Cc2c1)c1nc2cc(cc(F)c2[nH]1)-c1ccnc(N)n1 Show InChI InChI=1S/C21H18FN5O2/c1-28-14-2-3-18-12(7-14)6-13(10-29-18)20-25-17-9-11(8-15(22)19(17)27-20)16-4-5-24-21(23)26-16/h2-5,7-9,13H,6,10H2,1H3,(H,25,27)(H2,23,24,26) | PDB
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| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Florida
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6390-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.095
BindingDB Entry DOI: 10.7270/Q2T43SX6 |
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 Florida
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6390-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.095
BindingDB Entry DOI: 10.7270/Q2T43SX6 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50246458
(4-(2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-3H-be...)Show SMILES COc1ccc2OCC(Cc2c1)c1nc2cc(ccc2[nH]1)-c1ccnc(N)n1 Show InChI InChI=1S/C21H19N5O2/c1-27-15-3-5-19-13(9-15)8-14(11-28-19)20-24-17-4-2-12(10-18(17)25-20)16-6-7-23-21(22)26-16/h2-7,9-10,14H,8,11H2,1H3,(H,24,25)(H2,22,23,26) | 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 Florida
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6390-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.095
BindingDB Entry DOI: 10.7270/Q2T43SX6 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50245868
(4-(2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)benzo[...)Show SMILES COc1ccc2OCC(Cc2c1)c1nc2ccc(cc2o1)-c1ccnc(N)n1 Show InChI InChI=1S/C21H18N4O3/c1-26-15-3-5-18-13(9-15)8-14(11-27-18)20-24-17-4-2-12(10-19(17)28-20)16-6-7-23-21(22)25-16/h2-7,9-10,14H,8,11H2,1H3,(H2,22,23,25) | 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 Florida
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6390-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.095
BindingDB Entry DOI: 10.7270/Q2T43SX6 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50246455
(2-(3,4-dihydro-2H-chromen-3-yl)-6-(pyridin-4-yl)-1...)Show InChI InChI=1S/C21H17N3O/c1-2-4-20-16(3-1)11-17(13-25-20)21-23-18-6-5-15(12-19(18)24-21)14-7-9-22-10-8-14/h1-10,12,17H,11,13H2,(H,23,24) | 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 Florida
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6390-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.095
BindingDB Entry DOI: 10.7270/Q2T43SX6 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50245871
(4-(2-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-3H-ben...)Show SMILES Nc1nccc(n1)-c1ccc2[nH]c(nc2c1)C1COc2ccc(F)cc2C1 Show InChI InChI=1S/C20H16FN5O/c21-14-2-4-18-12(8-14)7-13(10-27-18)19-24-16-3-1-11(9-17(16)25-19)15-5-6-23-20(22)26-15/h1-6,8-9,13H,7,10H2,(H,24,25)(H2,22,23,26) | 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 Florida
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6390-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.095
BindingDB Entry DOI: 10.7270/Q2T43SX6 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50245916
(CHEMBL462194 | methyl 3-(6-(2-aminopyrimidin-4-yl)...)Show SMILES COC(=O)c1ccc2OCC(Cc2c1)c1nc2cc(ccc2[nH]1)-c1ccnc(N)n1 Show InChI InChI=1S/C22H19N5O3/c1-29-21(28)13-3-5-19-14(8-13)9-15(11-30-19)20-25-17-4-2-12(10-18(17)26-20)16-6-7-24-22(23)27-16/h2-8,10,15H,9,11H2,1H3,(H,25,26)(H2,23,24,27) | 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 Florida
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6390-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.095
BindingDB Entry DOI: 10.7270/Q2T43SX6 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50246455
(2-(3,4-dihydro-2H-chromen-3-yl)-6-(pyridin-4-yl)-1...)Show InChI InChI=1S/C21H17N3O/c1-2-4-20-16(3-1)11-17(13-25-20)21-23-18-6-5-15(12-19(18)24-21)14-7-9-22-10-8-14/h1-10,12,17H,11,13H2,(H,23,24) | 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 Florida
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay |
Bioorg Med Chem Lett 18: 6390-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.095
BindingDB Entry DOI: 10.7270/Q2T43SX6 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50246461
(4-(7-fluoro-2-(6-methoxy-3,4-dihydro-2H-chromen-3-...)Show SMILES COc1ccc2OCC(Cc2c1)c1nc2cc(cc(F)c2[nH]1)-c1ccnc(N)n1 Show InChI InChI=1S/C21H18FN5O2/c1-28-14-2-3-18-12(7-14)6-13(10-29-18)20-25-17-9-11(8-15(22)19(17)27-20)16-4-5-24-21(23)26-16/h2-5,7-9,13H,6,10H2,1H3,(H,25,27)(H2,23,24,26) | 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 Florida
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay |
Bioorg Med Chem Lett 18: 6390-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.095
BindingDB Entry DOI: 10.7270/Q2T43SX6 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50246456
(4-(2-(3,4-dihydro-2H-chromen-3-yl)-3H-benzo[d]imid...)Show SMILES Nc1nccc(n1)-c1ccc2[nH]c(nc2c1)C1COc2ccccc2C1 Show InChI InChI=1S/C20H17N5O/c21-20-22-8-7-15(25-20)12-5-6-16-17(10-12)24-19(23-16)14-9-13-3-1-2-4-18(13)26-11-14/h1-8,10,14H,9,11H2,(H,23,24)(H2,21,22,25) | 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 Florida
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6390-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.095
BindingDB Entry DOI: 10.7270/Q2T43SX6 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50246412
(2-(3,4-dihydro-2H-chromen-3-yl)-6-(5-methyl-1H-pyr...)Show SMILES Cc1[nH]ncc1-c1ccc2[nH]c(nc2c1)C1COc2ccccc2C1 Show InChI InChI=1S/C20H18N4O/c1-12-16(10-21-24-12)13-6-7-17-18(9-13)23-20(22-17)15-8-14-4-2-3-5-19(14)25-11-15/h2-7,9-10,15H,8,11H2,1H3,(H,21,24)(H,22,23) | PDB
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Florida
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6390-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.095
BindingDB Entry DOI: 10.7270/Q2T43SX6 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50246454
(2-(3,4-dihydro-2H-chromen-3-yl)-6-(5-methyl-1H-pyr...)Show InChI InChI=1S/C20H17N3O2/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) | PDB
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Florida
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6390-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.095
BindingDB Entry DOI: 10.7270/Q2T43SX6 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50245914
(4-(2-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)benzo[d...)Show SMILES Nc1nccc(n1)-c1ccc2nc(oc2c1)C1COc2ccc(F)cc2C1 Show InChI InChI=1S/C20H15FN4O2/c21-14-2-4-17-12(8-14)7-13(10-26-17)19-24-16-3-1-11(9-18(16)27-19)15-5-6-23-20(22)25-15/h1-6,8-9,13H,7,10H2,(H2,22,23,25) | 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 Florida
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6390-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.095
BindingDB Entry DOI: 10.7270/Q2T43SX6 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50246410
(2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl...)Show InChI InChI=1S/C19H15N3O2/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) | PDB
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| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Florida
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6390-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.095
BindingDB Entry DOI: 10.7270/Q2T43SX6 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50246460
(3-(6-(2-aminopyrimidin-4-yl)-1H-benzo[d]imidazol-2...)Show SMILES Nc1nccc(n1)-c1ccc2[nH]c(nc2c1)C1COc2ccc(cc2C1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C28H24N6O2/c29-28-30-11-10-22(34-28)18-6-8-23-24(14-18)33-26(32-23)21-13-20-12-19(7-9-25(20)36-16-21)27(35)31-15-17-4-2-1-3-5-17/h1-12,14,21H,13,15-16H2,(H,31,35)(H,32,33)(H2,29,30,34) | PDB
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| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Florida
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay |
Bioorg Med Chem Lett 18: 6390-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.095
BindingDB Entry DOI: 10.7270/Q2T43SX6 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50245917
(CHEMBL518665 | methyl 3-(6-(2-aminopyrimidin-4-yl)...)Show SMILES COC(=O)c1ccc2OCC(Cc2c1)c1nc2ccc(cc2o1)-c1ccnc(N)n1 Show InChI InChI=1S/C22H18N4O4/c1-28-21(27)13-3-5-18-14(8-13)9-15(11-29-18)20-25-17-4-2-12(10-19(17)30-20)16-6-7-24-22(23)26-16/h2-8,10,15H,9,11H2,1H3,(H2,23,24,26) | PDB
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| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Florida
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6390-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.095
BindingDB Entry DOI: 10.7270/Q2T43SX6 |
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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| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Florida
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay |
Bioorg Med Chem Lett 18: 6390-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.095
BindingDB Entry DOI: 10.7270/Q2T43SX6 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50246411
(2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl...)Show SMILES C1Oc2ccccc2CC1c1nc2cc(ccc2[nH]1)-c1cn[nH]c1 Show InChI InChI=1S/C19H16N4O/c1-2-4-18-13(3-1)7-14(11-24-18)19-22-16-6-5-12(8-17(16)23-19)15-9-20-21-10-15/h1-6,8-10,14H,7,11H2,(H,20,21)(H,22,23) | PDB
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Florida
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6390-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.095
BindingDB Entry DOI: 10.7270/Q2T43SX6 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50246457
(4-(2-(3,4-dihydro-2H-chromen-3-yl)benzo[d]oxazol-6...)Show InChI InChI=1S/C20H16N4O2/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) | PDB
MMDB
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Florida
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6390-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.095
BindingDB Entry DOI: 10.7270/Q2T43SX6 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50245914
(4-(2-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)benzo[d...)Show SMILES Nc1nccc(n1)-c1ccc2nc(oc2c1)C1COc2ccc(F)cc2C1 Show InChI InChI=1S/C20H15FN4O2/c21-14-2-4-17-12(8-14)7-13(10-26-17)19-24-16-3-1-11(9-18(16)27-19)15-5-6-23-20(22)25-15/h1-6,8-9,13H,7,10H2,(H2,22,23,25) | PDB
MMDB
KEGG
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Florida
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay |
Bioorg Med Chem Lett 18: 6390-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.095
BindingDB Entry DOI: 10.7270/Q2T43SX6 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50245868
(4-(2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)benzo[...)Show SMILES COc1ccc2OCC(Cc2c1)c1nc2ccc(cc2o1)-c1ccnc(N)n1 Show InChI InChI=1S/C21H18N4O3/c1-26-15-3-5-18-13(9-15)8-14(11-27-18)20-24-17-4-2-12(10-19(17)28-20)16-6-7-23-21(22)25-16/h2-7,9-10,14H,8,11H2,1H3,(H2,22,23,25) | PDB
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Florida
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay |
Bioorg Med Chem Lett 18: 6390-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.095
BindingDB Entry DOI: 10.7270/Q2T43SX6 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50246456
(4-(2-(3,4-dihydro-2H-chromen-3-yl)-3H-benzo[d]imid...)Show SMILES Nc1nccc(n1)-c1ccc2[nH]c(nc2c1)C1COc2ccccc2C1 Show InChI InChI=1S/C20H17N5O/c21-20-22-8-7-15(25-20)12-5-6-16-17(10-12)24-19(23-16)14-9-13-3-1-2-4-18(13)26-11-14/h1-8,10,14H,9,11H2,(H,23,24)(H2,21,22,25) | PDB
MMDB
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Florida
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay |
Bioorg Med Chem Lett 18: 6390-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.095
BindingDB Entry DOI: 10.7270/Q2T43SX6 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50245915
(4-(2-(6-methyl-3,4-dihydro-2H-chromen-3-yl)benzo[d...)Show SMILES Cc1ccc2OCC(Cc2c1)c1nc2ccc(cc2o1)-c1ccnc(N)n1 Show InChI InChI=1S/C21H18N4O2/c1-12-2-5-18-14(8-12)9-15(11-26-18)20-24-17-4-3-13(10-19(17)27-20)16-6-7-23-21(22)25-16/h2-8,10,15H,9,11H2,1H3,(H2,22,23,25) | PDB
MMDB
KEGG
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Florida
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6390-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.095
BindingDB Entry DOI: 10.7270/Q2T43SX6 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50246411
(2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl...)Show SMILES C1Oc2ccccc2CC1c1nc2cc(ccc2[nH]1)-c1cn[nH]c1 Show InChI InChI=1S/C19H16N4O/c1-2-4-18-13(3-1)7-14(11-24-18)19-22-16-6-5-12(8-17(16)23-19)15-9-20-21-10-15/h1-6,8-10,14H,7,11H2,(H,20,21)(H,22,23) | PDB
MMDB
KEGG
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Florida
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay |
Bioorg Med Chem Lett 18: 6390-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.095
BindingDB Entry DOI: 10.7270/Q2T43SX6 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50246458
(4-(2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-3H-be...)Show SMILES COc1ccc2OCC(Cc2c1)c1nc2cc(ccc2[nH]1)-c1ccnc(N)n1 Show InChI InChI=1S/C21H19N5O2/c1-27-15-3-5-19-13(9-15)8-14(11-28-19)20-24-17-4-2-12(10-18(17)25-20)16-6-7-23-21(22)26-16/h2-7,9-10,14H,8,11H2,1H3,(H,24,25)(H2,22,23,26) | PDB
MMDB
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 99 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Florida
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay |
Bioorg Med Chem Lett 18: 6390-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.095
BindingDB Entry DOI: 10.7270/Q2T43SX6 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50246459
(3-(6-(2-aminopyrimidin-4-yl)-1H-benzo[d]imidazol-2...)Show SMILES Nc1nccc(n1)-c1ccc2[nH]c(nc2c1)C1COc2ccc(cc2C1)C(=O)NC1CC1 Show InChI InChI=1S/C24H22N6O2/c25-24-26-8-7-18(30-24)13-1-5-19-20(11-13)29-22(28-19)16-10-15-9-14(2-6-21(15)32-12-16)23(31)27-17-3-4-17/h1-2,5-9,11,16-17H,3-4,10,12H2,(H,27,31)(H,28,29)(H2,25,26,30) | PDB
MMDB
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PC cid
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 212 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Florida
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay |
Bioorg Med Chem Lett 18: 6390-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.095
BindingDB Entry DOI: 10.7270/Q2T43SX6 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50245916
(CHEMBL462194 | methyl 3-(6-(2-aminopyrimidin-4-yl)...)Show SMILES COC(=O)c1ccc2OCC(Cc2c1)c1nc2cc(ccc2[nH]1)-c1ccnc(N)n1 Show InChI InChI=1S/C22H19N5O3/c1-29-21(28)13-3-5-19-14(8-13)9-15(11-30-19)20-25-17-4-2-12(10-18(17)26-20)16-6-7-24-22(23)27-16/h2-8,10,15H,9,11H2,1H3,(H,25,26)(H2,23,24,27) | PDB
MMDB
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 271 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Florida
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay |
Bioorg Med Chem Lett 18: 6390-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.095
BindingDB Entry DOI: 10.7270/Q2T43SX6 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50245870
(4-(2-(6-isopropoxy-3,4-dihydro-2H-chromen-3-yl)ben...)Show SMILES CC(C)Oc1ccc2OCC(Cc2c1)c1nc2ccc(cc2o1)-c1ccnc(N)n1 Show InChI InChI=1S/C23H22N4O3/c1-13(2)29-17-4-6-20-15(10-17)9-16(12-28-20)22-26-19-5-3-14(11-21(19)30-22)18-7-8-25-23(24)27-18/h3-8,10-11,13,16H,9,12H2,1-2H3,(H2,24,25,27) | PDB
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UniChem
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| Article
PubMed
| n/a | n/a | 294 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Florida
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6390-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.095
BindingDB Entry DOI: 10.7270/Q2T43SX6 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50245869
(4-(2-(6-isopropoxy-3,4-dihydro-2H-chromen-3-yl)-3H...)Show SMILES CC(C)Oc1ccc2OCC(Cc2c1)c1nc2cc(ccc2[nH]1)-c1ccnc(N)n1 Show InChI InChI=1S/C23H23N5O2/c1-13(2)30-17-4-6-21-15(10-17)9-16(12-29-21)22-26-19-5-3-14(11-20(19)27-22)18-7-8-25-23(24)28-18/h3-8,10-11,13,16H,9,12H2,1-2H3,(H,26,27)(H2,24,25,28) | PDB
MMDB
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 296 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Florida
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6390-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.095
BindingDB Entry DOI: 10.7270/Q2T43SX6 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50246410
(2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl...)Show InChI InChI=1S/C19H15N3O2/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) | PDB
MMDB
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Florida
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay |
Bioorg Med Chem Lett 18: 6390-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.095
BindingDB Entry DOI: 10.7270/Q2T43SX6 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50246454
(2-(3,4-dihydro-2H-chromen-3-yl)-6-(5-methyl-1H-pyr...)Show InChI InChI=1S/C20H17N3O2/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) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 533 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Florida
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay |
Bioorg Med Chem Lett 18: 6390-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.095
BindingDB Entry DOI: 10.7270/Q2T43SX6 |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50246461
(4-(7-fluoro-2-(6-methoxy-3,4-dihydro-2H-chromen-3-...)Show SMILES COc1ccc2OCC(Cc2c1)c1nc2cc(cc(F)c2[nH]1)-c1ccnc(N)n1 Show InChI InChI=1S/C21H18FN5O2/c1-28-14-2-3-18-12(7-14)6-13(10-29-18)20-25-17-9-11(8-15(22)19(17)27-20)16-4-5-24-21(23)26-16/h2-5,7-9,13H,6,10H2,1H3,(H,25,27)(H2,23,24,26) | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Florida
Curated by ChEMBL
| Assay Description
Inhibition of Akt1 |
Bioorg Med Chem Lett 18: 6390-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.095
BindingDB Entry DOI: 10.7270/Q2T43SX6 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50246461
(4-(7-fluoro-2-(6-methoxy-3,4-dihydro-2H-chromen-3-...)Show SMILES COc1ccc2OCC(Cc2c1)c1nc2cc(cc(F)c2[nH]1)-c1ccnc(N)n1 Show InChI InChI=1S/C21H18FN5O2/c1-28-14-2-3-18-12(7-14)6-13(10-29-18)20-25-17-9-11(8-15(22)19(17)27-20)16-4-5-24-21(23)26-16/h2-5,7-9,13H,6,10H2,1H3,(H,25,27)(H2,23,24,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 1.41E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Florida
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 |
Bioorg Med Chem Lett 18: 6390-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.095
BindingDB Entry DOI: 10.7270/Q2T43SX6 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM50246461
(4-(7-fluoro-2-(6-methoxy-3,4-dihydro-2H-chromen-3-...)Show SMILES COc1ccc2OCC(Cc2c1)c1nc2cc(cc(F)c2[nH]1)-c1ccnc(N)n1 Show InChI InChI=1S/C21H18FN5O2/c1-28-14-2-3-18-12(7-14)6-13(10-29-18)20-25-17-9-11(8-15(22)19(17)27-20)16-4-5-24-21(23)26-16/h2-5,7-9,13H,6,10H2,1H3,(H,25,27)(H2,23,24,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.68E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Florida
Curated by ChEMBL
| Assay Description
Inhibition of JNK3 |
Bioorg Med Chem Lett 18: 6390-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.095
BindingDB Entry DOI: 10.7270/Q2T43SX6 |
More data for this
Ligand-Target Pair | |
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