Found 123 hits with Last Name = 'vojkovsky' and Initial = 't' 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)) | BDBM50026332
(CHEMBL1684209)Show SMILES O=C(NCCc1ccccn1)c1ccc2OCC(Cc2c1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 Show InChI InChI=1S/C28H24N6O3/c35-27(30-10-8-22-3-1-2-9-29-22)18-5-7-25-19(11-18)12-20(16-37-25)26-33-24-6-4-17(21-14-31-32-15-21)13-23(24)28(36)34-26/h1-7,9,11,13-15,20H,8,10,12,16H2,(H,30,35)(H,31,32)(H,33,34,36) | PDB
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| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 by HTRF assay |
Bioorg Med Chem Lett 21: 1844-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.039
BindingDB Entry DOI: 10.7270/Q20G3KFF |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50026330
(CHEMBL1684210)Show SMILES O=C(NCCN1CCOCC1)c1ccc2OCC(Cc2c1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 Show InChI InChI=1S/C27H28N6O4/c34-26(28-5-6-33-7-9-36-10-8-33)18-2-4-24-19(11-18)12-20(16-37-24)25-31-23-3-1-17(21-14-29-30-15-21)13-22(23)27(35)32-25/h1-4,11,13-15,20H,5-10,12,16H2,(H,28,34)(H,29,30)(H,31,32,35) | PDB
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| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 by HTRF assay |
Bioorg Med Chem Lett 21: 1844-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.039
BindingDB Entry DOI: 10.7270/Q20G3KFF |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50026327
(CHEMBL1684206)Show SMILES CN(C)CCNC(=O)c1ccc2OCC(Cc2c1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 Show InChI InChI=1S/C25H26N6O3/c1-31(2)8-7-26-24(32)16-4-6-22-17(9-16)10-18(14-34-22)23-29-21-5-3-15(19-12-27-28-13-19)11-20(21)25(33)30-23/h3-6,9,11-13,18H,7-8,10,14H2,1-2H3,(H,26,32)(H,27,28)(H,29,30,33) | PDB
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| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 by HTRF assay |
Bioorg Med Chem Lett 21: 1844-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.039
BindingDB Entry DOI: 10.7270/Q20G3KFF |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50338722
(8-methoxy-2-((3-methoxyphenoxy)methyl)-6-(1H-pyraz...)Show SMILES COc1cccc(OCc2nc3c(OC)cc(cc3c(=O)[nH]2)-c2cn[nH]c2)c1 Show InChI InChI=1S/C20H18N4O4/c1-26-14-4-3-5-15(8-14)28-11-18-23-19-16(20(25)24-18)6-12(7-17(19)27-2)13-9-21-22-10-13/h3-10H,11H2,1-2H3,(H,21,22)(H,23,24,25) | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 by HTRF assay |
Bioorg Med Chem Lett 21: 1844-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.039
BindingDB Entry DOI: 10.7270/Q20G3KFF |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50026346
(CHEMBL1684201)Show SMILES [H][C@]1(COc2ccc(OC)cc2C1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 |r| Show InChI InChI=1S/C21H16N4O3/c1-27-16-3-5-19-13(7-16)6-14(11-28-19)20-24-18-4-2-12(15-9-22-23-10-15)8-17(18)21(26)25-20/h2-5,7-10,14H,6,11H2,1H3/t14-/m0/s1 | PDB
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| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 by HTRF assay |
Bioorg Med Chem Lett 21: 1844-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.039
BindingDB Entry DOI: 10.7270/Q20G3KFF |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50338703
(CHEMBL1684208 | N-cyclopropyl-3-(4-oxo-6-(1H-pyraz...)Show SMILES O=C(NC1CC1)c1ccc2OCC(Cc2c1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 Show InChI InChI=1S/C24H21N5O3/c30-23(27-18-3-4-18)14-2-6-21-15(7-14)8-16(12-32-21)22-28-20-5-1-13(17-10-25-26-11-17)9-19(20)24(31)29-22/h1-2,5-7,9-11,16,18H,3-4,8,12H2,(H,25,26)(H,27,30)(H,28,29,31) | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 by HTRF assay |
Bioorg Med Chem Lett 21: 1844-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.039
BindingDB Entry DOI: 10.7270/Q20G3KFF |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50338718
(2-(6-fluorochroman-3-yl)-8-methoxy-6-(1H-pyrazol-4...)Show SMILES COc1cc(cc2c1nc([nH]c2=O)C1COc2ccc(F)cc2C1)-c1cn[nH]c1 Show InChI InChI=1S/C21H17FN4O3/c1-28-18-7-11(14-8-23-24-9-14)6-16-19(18)25-20(26-21(16)27)13-4-12-5-15(22)2-3-17(12)29-10-13/h2-3,5-9,13H,4,10H2,1H3,(H,23,24)(H,25,26,27) | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 by HTRF assay |
Bioorg Med Chem Lett 21: 1844-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.039
BindingDB Entry DOI: 10.7270/Q20G3KFF |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50026347
(CHEMBL1684197)Show SMILES O=c1[nH]c(nc2ccc(cc12)-c1cn[nH]c1)C1COc2ccccc2C1 Show InChI InChI=1S/C20H14N4O2/c25-20-16-8-12(15-9-21-22-10-15)5-6-17(16)23-19(24-20)14-7-13-3-1-2-4-18(13)26-11-14/h1-6,8-10,14H,7,11H2 | PDB
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| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 by HTRF assay |
Bioorg Med Chem Lett 21: 1844-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.039
BindingDB Entry DOI: 10.7270/Q20G3KFF |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50026328
(CHEMBL1684207)Show SMILES COCCNC(=O)c1ccc2OCC(Cc2c1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 Show InChI InChI=1S/C24H23N5O4/c1-32-7-6-25-23(30)15-3-5-21-16(8-15)9-17(13-33-21)22-28-20-4-2-14(18-11-26-27-12-18)10-19(20)24(31)29-22/h2-5,8,10-12,17H,6-7,9,13H2,1H3,(H,25,30)(H,26,27)(H,28,29,31) | PDB
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| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 by HTRF assay |
Bioorg Med Chem Lett 21: 1844-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.039
BindingDB Entry DOI: 10.7270/Q20G3KFF |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50338714
(8-methoxy-2-(6-methoxychroman-3-yl)-6-(1H-pyrazol-...)Show SMILES COc1ccc2OCC(Cc2c1)c1nc2c(OC)cc(cc2c(=O)[nH]1)-c1cn[nH]c1 Show InChI InChI=1S/C22H20N4O4/c1-28-16-3-4-18-13(6-16)5-14(11-30-18)21-25-20-17(22(27)26-21)7-12(8-19(20)29-2)15-9-23-24-10-15/h3-4,6-10,14H,5,11H2,1-2H3,(H,23,24)(H,25,26,27) | PDB
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 by HTRF assay |
Bioorg Med Chem Lett 21: 1844-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.039
BindingDB Entry DOI: 10.7270/Q20G3KFF |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50338695
(2-(chroman-2-yl)-6-(1H-pyrazol-4-yl)quinazolin-4(3...)Show SMILES O=c1[nH]c(nc2ccc(cc12)-c1cn[nH]c1)C1CCc2ccccc2O1 Show InChI InChI=1S/C20H16N4O2/c25-20-15-9-13(14-10-21-22-11-14)5-7-16(15)23-19(24-20)18-8-6-12-3-1-2-4-17(12)26-18/h1-5,7,9-11,18H,6,8H2,(H,21,22)(H,23,24,25) | PDB
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 by HTRF assay |
Bioorg Med Chem Lett 21: 1844-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.039
BindingDB Entry DOI: 10.7270/Q20G3KFF |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50338698
(2-(6-methoxychroman-3-yl)-6-(1H-pyrazol-4-yl)quina...)Show SMILES COc1ccc2OCC(Cc2c1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 Show InChI InChI=1S/C21H18N4O3/c1-27-16-3-5-19-13(7-16)6-14(11-28-19)20-24-18-4-2-12(15-9-22-23-10-15)8-17(18)21(26)25-20/h2-5,7-10,14H,6,11H2,1H3,(H,22,23)(H,24,25,26) | PDB
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 by HTRF assay |
Bioorg Med Chem Lett 21: 1844-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.039
BindingDB Entry DOI: 10.7270/Q20G3KFF |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50338721
(2-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)-8-methoxy-...)Show SMILES COc1cc(cc2c1nc([nH]c2=O)C1COc2ccccc2O1)-c1cn[nH]c1 Show InChI InChI=1S/C20H16N4O4/c1-26-16-7-11(12-8-21-22-9-12)6-13-18(16)23-19(24-20(13)25)17-10-27-14-4-2-3-5-15(14)28-17/h2-9,17H,10H2,1H3,(H,21,22)(H,23,24,25) | PDB
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 by HTRF assay |
Bioorg Med Chem Lett 21: 1844-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.039
BindingDB Entry DOI: 10.7270/Q20G3KFF |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50338713
(3-(4-(2-(dimethylamino)ethylthio)-6-(1H-pyrazol-4-...)Show SMILES CN(C)CCSc1nc(nc2ccc(cc12)-c1cn[nH]c1)C1COc2ccc(cc2C1)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C31H37N7O3S/c1-37(2)11-14-42-31-26-17-21(25-18-33-34-19-25)3-5-27(26)35-29(36-31)24-16-23-15-22(4-6-28(23)41-20-24)30(39)32-7-8-38-9-12-40-13-10-38/h3-6,15,17-19,24H,7-14,16,20H2,1-2H3,(H,32,39)(H,33,34) | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 by HTRF assay |
Bioorg Med Chem Lett 21: 1844-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.039
BindingDB Entry DOI: 10.7270/Q20G3KFF |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50338712
(3-(4-(2-(dimethylamino)ethylthio)-6-(1H-pyrazol-4-...)Show SMILES COCCNC(=O)c1ccc2OCC(Cc2c1)c1nc(SCCN(C)C)c2cc(ccc2n1)-c1cn[nH]c1 Show InChI InChI=1S/C28H32N6O3S/c1-34(2)9-11-38-28-23-14-18(22-15-30-31-16-22)4-6-24(23)32-26(33-28)21-13-20-12-19(5-7-25(20)37-17-21)27(35)29-8-10-36-3/h4-7,12,14-16,21H,8-11,13,17H2,1-3H3,(H,29,35)(H,30,31) | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 by HTRF assay |
Bioorg Med Chem Lett 21: 1844-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.039
BindingDB Entry DOI: 10.7270/Q20G3KFF |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50338701
(2-(6-fluorochroman-3-yl)-6-(1H-pyrazol-4-yl)quinaz...)Show SMILES Fc1ccc2OCC(Cc2c1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 Show InChI InChI=1S/C20H15FN4O2/c21-15-2-4-18-12(6-15)5-13(10-27-18)19-24-17-3-1-11(14-8-22-23-9-14)7-16(17)20(26)25-19/h1-4,6-9,13H,5,10H2,(H,22,23)(H,24,25,26) | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 by HTRF assay |
Bioorg Med Chem Lett 21: 1844-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.039
BindingDB Entry DOI: 10.7270/Q20G3KFF |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50338719
(8-methoxy-2-(6-methylchroman-3-yl)-6-(1H-pyrazol-4...)Show SMILES COc1cc(cc2c1nc([nH]c2=O)C1COc2ccc(C)cc2C1)-c1cn[nH]c1 Show InChI InChI=1S/C22H20N4O3/c1-12-3-4-18-14(5-12)6-15(11-29-18)21-25-20-17(22(27)26-21)7-13(8-19(20)28-2)16-9-23-24-10-16/h3-5,7-10,15H,6,11H2,1-2H3,(H,23,24)(H,25,26,27) | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 by HTRF assay |
Bioorg Med Chem Lett 21: 1844-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.039
BindingDB Entry DOI: 10.7270/Q20G3KFF |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50338711
(CHEMBL1684218 | N-cyclopropyl-3-(4-(2-(dimethylami...)Show SMILES CN(C)CCSc1nc(nc2ccc(cc12)-c1cn[nH]c1)C1COc2ccc(cc2C1)C(=O)NC1CC1 Show InChI InChI=1S/C28H30N6O2S/c1-34(2)9-10-37-28-23-13-17(21-14-29-30-15-21)3-7-24(23)32-26(33-28)20-12-19-11-18(4-8-25(19)36-16-20)27(35)31-22-5-6-22/h3-4,7-8,11,13-15,20,22H,5-6,9-10,12,16H2,1-2H3,(H,29,30)(H,31,35) | PDB
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 by HTRF assay |
Bioorg Med Chem Lett 21: 1844-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.039
BindingDB Entry DOI: 10.7270/Q20G3KFF |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50338707
(2-(2-(6-methoxychroman-3-yl)-6-(1H-pyrazol-4-yl)qu...)Show SMILES COc1ccc2OCC(Cc2c1)c1nc(SCCN(C)C)c2cc(ccc2n1)-c1cn[nH]c1 Show InChI InChI=1S/C25H27N5O2S/c1-30(2)8-9-33-25-21-12-16(19-13-26-27-14-19)4-6-22(21)28-24(29-25)18-10-17-11-20(31-3)5-7-23(17)32-15-18/h4-7,11-14,18H,8-10,15H2,1-3H3,(H,26,27) | PDB
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UniChem
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| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 by HTRF assay |
Bioorg Med Chem Lett 21: 1844-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.039
BindingDB Entry DOI: 10.7270/Q20G3KFF |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50338700
(2-(6-methylchroman-3-yl)-6-(1H-pyrazol-4-yl)quinaz...)Show SMILES Cc1ccc2OCC(Cc2c1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 Show InChI InChI=1S/C21H18N4O2/c1-12-2-5-19-14(6-12)7-15(11-27-19)20-24-18-4-3-13(16-9-22-23-10-16)8-17(18)21(26)25-20/h2-6,8-10,15H,7,11H2,1H3,(H,22,23)(H,24,25,26) | PDB
MMDB
KEGG
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PC sid
UniChem
Similars
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 by HTRF assay |
Bioorg Med Chem Lett 21: 1844-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.039
BindingDB Entry DOI: 10.7270/Q20G3KFF |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50338720
(8-methoxy-2-(7-methoxy-1,2,3,4-tetrahydronaphthale...)Show SMILES COc1ccc2CCC(Cc2c1)c1nc2c(OC)cc(cc2c(=O)[nH]1)-c1cn[nH]c1 Show InChI InChI=1S/C23H22N4O3/c1-29-18-6-5-13-3-4-14(7-15(13)8-18)22-26-21-19(23(28)27-22)9-16(10-20(21)30-2)17-11-24-25-12-17/h5-6,8-12,14H,3-4,7H2,1-2H3,(H,24,25)(H,26,27,28) | PDB
MMDB
KEGG
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PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 by HTRF assay |
Bioorg Med Chem Lett 21: 1844-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.039
BindingDB Entry DOI: 10.7270/Q20G3KFF |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50338717
(8-(2-(dimethylamino)ethoxy)-2-(6-methoxychroman-3-...)Show SMILES COc1ccc2OCC(Cc2c1)c1nc2c(OCCN(C)C)cc(cc2c(=O)[nH]1)-c1cn[nH]c1 Show InChI InChI=1S/C25H27N5O4/c1-30(2)6-7-33-22-11-15(18-12-26-27-13-18)10-20-23(22)28-24(29-25(20)31)17-8-16-9-19(32-3)4-5-21(16)34-14-17/h4-5,9-13,17H,6-8,14H2,1-3H3,(H,26,27)(H,28,29,31) | PDB
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 by HTRF assay |
Bioorg Med Chem Lett 21: 1844-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.039
BindingDB Entry DOI: 10.7270/Q20G3KFF |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50338702
(2-(6-(cyclopropanecarbonyl)chroman-3-yl)-6-(1H-pyr...)Show SMILES O=C(C1CC1)c1ccc2OCC(Cc2c1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 Show InChI InChI=1S/C24H20N4O3/c29-22(13-1-2-13)15-4-6-21-16(7-15)8-17(12-31-21)23-27-20-5-3-14(18-10-25-26-11-18)9-19(20)24(30)28-23/h3-7,9-11,13,17H,1-2,8,12H2,(H,25,26)(H,27,28,30) | PDB
MMDB
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UniChem
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| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 by HTRF assay |
Bioorg Med Chem Lett 21: 1844-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.039
BindingDB Entry DOI: 10.7270/Q20G3KFF |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50338716
(8-((2-(dimethylamino)ethyl)(methyl)amino)-2-(6-met...)Show SMILES COc1ccc2OCC(Cc2c1)c1nc2c(cc(cc2c(=O)[nH]1)-c1cn[nH]c1)N(C)CCN(C)C Show InChI InChI=1S/C26H30N6O3/c1-31(2)7-8-32(3)22-12-16(19-13-27-28-14-19)11-21-24(22)29-25(30-26(21)33)18-9-17-10-20(34-4)5-6-23(17)35-15-18/h5-6,10-14,18H,7-9,15H2,1-4H3,(H,27,28)(H,29,30,33) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 by HTRF assay |
Bioorg Med Chem Lett 21: 1844-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.039
BindingDB Entry DOI: 10.7270/Q20G3KFF |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50338708
(2-((2-(6-methoxychroman-3-yl)-6-(1H-pyrazol-4-yl)q...)Show SMILES COc1ccc2OCC(Cc2c1)c1nc(N(C)CCO)c2cc(ccc2n1)-c1cn[nH]c1 Show InChI InChI=1S/C24H25N5O3/c1-29(7-8-30)24-20-11-15(18-12-25-26-13-18)3-5-21(20)27-23(28-24)17-9-16-10-19(31-2)4-6-22(16)32-14-17/h3-6,10-13,17,30H,7-9,14H2,1-2H3,(H,25,26) | PDB
MMDB
KEGG
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| CHEMBL
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UniChem
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| Article
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 by HTRF assay |
Bioorg Med Chem Lett 21: 1844-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.039
BindingDB Entry DOI: 10.7270/Q20G3KFF |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50338696
(2-(5-methoxychroman-3-yl)-6-(1H-pyrazol-4-yl)quina...)Show SMILES COc1cccc2OCC(Cc12)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 Show InChI InChI=1S/C21H18N4O3/c1-27-18-3-2-4-19-16(18)8-13(11-28-19)20-24-17-6-5-12(14-9-22-23-10-14)7-15(17)21(26)25-20/h2-7,9-10,13H,8,11H2,1H3,(H,22,23)(H,24,25,26) | PDB
MMDB
KEGG
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| CHEMBL
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PC sid
UniChem
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| Article
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| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 by HTRF assay |
Bioorg Med Chem Lett 21: 1844-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.039
BindingDB Entry DOI: 10.7270/Q20G3KFF |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50338705
(2-((3-methoxyphenoxy)methyl)-6-(1H-pyrazol-4-yl)qu...)Show SMILES COc1cccc(OCc2nc3ccc(cc3c(=O)[nH]2)-c2cn[nH]c2)c1 Show InChI InChI=1S/C19H16N4O3/c1-25-14-3-2-4-15(8-14)26-11-18-22-17-6-5-12(13-9-20-21-10-13)7-16(17)19(24)23-18/h2-10H,11H2,1H3,(H,20,21)(H,22,23,24) | PDB
MMDB
KEGG
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 by HTRF assay |
Bioorg Med Chem Lett 21: 1844-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.039
BindingDB Entry DOI: 10.7270/Q20G3KFF |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM32488
(aryl piperidine, 9d)Show SMILES Cc1cccc(NC(=O)c2ccc(Cl)o2)c1N1CCC2(CC1)OCCO2 Show InChI InChI=1S/C19H21ClN2O4/c1-13-3-2-4-14(21-18(23)15-5-6-16(20)26-15)17(13)22-9-7-19(8-10-22)24-11-12-25-19/h2-6H,7-12H2,1H3,(H,21,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
| Assay Description
Biochemical IC50s for JNK were determined using HTRF. In each assay the phosphor-Thr71-ATF-2 product was detected using a Europium-cryptate labeled a... |
Bioorg Med Chem Lett 19: 3344-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.086
BindingDB Entry DOI: 10.7270/Q2ST7N67 |
More data for this
Ligand-Target Pair | |
Isoform Alpha-1 of Mitogen-activated protein kinase 10 (Alpha-1) 9-402]
(Homo sapiens (Human)) | BDBM32487
(aryl piperidine, 9b)Show SMILES Cc1cccc(NC(=O)c2ccc(Br)o2)c1N1CCC2(CC1)OCCO2 Show InChI InChI=1S/C19H21BrN2O4/c1-13-3-2-4-14(21-18(23)15-5-6-16(20)26-15)17(13)22-9-7-19(8-10-22)24-11-12-25-19/h2-6H,7-12H2,1H3,(H,21,23) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
| Assay Description
Biochemical IC50s for JNK were determined using HTRF. In each assay the phosphor-Thr71-ATF-2 product was detected using a Europium-cryptate labeled a... |
Bioorg Med Chem Lett 19: 3344-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.086
BindingDB Entry DOI: 10.7270/Q2ST7N67 |
More data for this
Ligand-Target Pair | |
Isoform Alpha-1 of Mitogen-activated protein kinase 10 (Alpha-1) 9-402]
(Homo sapiens (Human)) | BDBM32488
(aryl piperidine, 9d)Show SMILES Cc1cccc(NC(=O)c2ccc(Cl)o2)c1N1CCC2(CC1)OCCO2 Show InChI InChI=1S/C19H21ClN2O4/c1-13-3-2-4-14(21-18(23)15-5-6-16(20)26-15)17(13)22-9-7-19(8-10-22)24-11-12-25-19/h2-6H,7-12H2,1H3,(H,21,23) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
| Assay Description
Biochemical IC50s for JNK were determined using HTRF. In each assay the phosphor-Thr71-ATF-2 product was detected using a Europium-cryptate labeled a... |
Bioorg Med Chem Lett 19: 3344-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.086
BindingDB Entry DOI: 10.7270/Q2ST7N67 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50338699
((S)-2-(6-methoxychroman-3-yl)-6-(1H-pyrazol-4-yl)q...)Show SMILES COc1ccc2OC[C@@H](Cc2c1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 |r| Show InChI InChI=1S/C21H18N4O3/c1-27-16-3-5-19-13(7-16)6-14(11-28-19)20-24-18-4-2-12(15-9-22-23-10-15)8-17(18)21(26)25-20/h2-5,7-10,14H,6,11H2,1H3,(H,22,23)(H,24,25,26)/t14-/m1/s1 | PDB
MMDB
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 87 | n/a | n/a | n/a | n/a | n/a | n/a |
Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 by HTRF assay |
Bioorg Med Chem Lett 21: 1844-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.039
BindingDB Entry DOI: 10.7270/Q20G3KFF |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM32487
(aryl piperidine, 9b)Show SMILES Cc1cccc(NC(=O)c2ccc(Br)o2)c1N1CCC2(CC1)OCCO2 Show InChI InChI=1S/C19H21BrN2O4/c1-13-3-2-4-14(21-18(23)15-5-6-16(20)26-15)17(13)22-9-7-19(8-10-22)24-11-12-25-19/h2-6H,7-12H2,1H3,(H,21,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
| Assay Description
Biochemical IC50s for JNK were determined using HTRF. In each assay the phosphor-Thr71-ATF-2 product was detected using a Europium-cryptate labeled a... |
Bioorg Med Chem Lett 19: 3344-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.086
BindingDB Entry DOI: 10.7270/Q2ST7N67 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50338715
(8-fluoro-2-(6-methoxychroman-3-yl)-6-(1H-pyrazol-4...)Show SMILES COc1ccc2OCC(Cc2c1)c1nc2c(F)cc(cc2c(=O)[nH]1)-c1cn[nH]c1 Show InChI InChI=1S/C21H17FN4O3/c1-28-15-2-3-18-12(5-15)4-13(10-29-18)20-25-19-16(21(27)26-20)6-11(7-17(19)22)14-8-23-24-9-14/h2-3,5-9,13H,4,10H2,1H3,(H,23,24)(H,25,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 104 | n/a | n/a | n/a | n/a | n/a | n/a |
Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 by HTRF assay |
Bioorg Med Chem Lett 21: 1844-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.039
BindingDB Entry DOI: 10.7270/Q20G3KFF |
More data for this
Ligand-Target Pair | |
Isoform Alpha-1 of Mitogen-activated protein kinase 10 (Alpha-1) 9-402]
(Homo sapiens (Human)) | BDBM32494
(aryl piperidine, 9j)Show SMILES CC#Cc1ccc(o1)C(=O)Nc1cccc(C)c1N1CCC2(CC1)OCCO2 Show InChI InChI=1S/C22H24N2O4/c1-3-5-17-8-9-19(28-17)21(25)23-18-7-4-6-16(2)20(18)24-12-10-22(11-13-24)26-14-15-27-22/h4,6-9H,10-15H2,1-2H3,(H,23,25) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
| Assay Description
Biochemical IC50s for JNK were determined using HTRF. In each assay the phosphor-Thr71-ATF-2 product was detected using a Europium-cryptate labeled a... |
Bioorg Med Chem Lett 19: 3344-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.086
BindingDB Entry DOI: 10.7270/Q2ST7N67 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM32470
(piperazine amide, 4q)Show InChI InChI=1S/C18H17BrFN3O2/c1-2-8-22-9-11-23(12-10-22)17-13(20)4-3-5-14(17)21-18(24)15-6-7-16(19)25-15/h1,3-7H,8-12H2,(H,21,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
| Assay Description
Biochemical IC50s for JNK were determined using HTRF. In each assay the phosphor-Thr71-ATF-2 product was detected using a Europium-cryptate labeled a... |
Bioorg Med Chem Lett 19: 3344-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.086
BindingDB Entry DOI: 10.7270/Q2ST7N67 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM32494
(aryl piperidine, 9j)Show SMILES CC#Cc1ccc(o1)C(=O)Nc1cccc(C)c1N1CCC2(CC1)OCCO2 Show InChI InChI=1S/C22H24N2O4/c1-3-5-17-8-9-19(28-17)21(25)23-18-7-4-6-16(2)20(18)24-12-10-22(11-13-24)26-14-15-27-22/h4,6-9H,10-15H2,1-2H3,(H,23,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
| Assay Description
Biochemical IC50s for JNK were determined using HTRF. In each assay the phosphor-Thr71-ATF-2 product was detected using a Europium-cryptate labeled a... |
Bioorg Med Chem Lett 19: 3344-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.086
BindingDB Entry DOI: 10.7270/Q2ST7N67 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50338706
(2-cyclopropyl-6-(1H-pyrazol-4-yl)quinazolin-4(3H)-...)Show InChI InChI=1S/C14H12N4O/c19-14-11-5-9(10-6-15-16-7-10)3-4-12(11)17-13(18-14)8-1-2-8/h3-8H,1-2H2,(H,15,16)(H,17,18,19) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 123 | n/a | n/a | n/a | n/a | n/a | n/a |
Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 by HTRF assay |
Bioorg Med Chem Lett 21: 1844-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.039
BindingDB Entry DOI: 10.7270/Q20G3KFF |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM32460
(piperazine amide, 4g)Show SMILES Clc1cccc(NC(=O)c2ccc(Br)o2)c1N1CCN(CC#C)CC1 Show InChI InChI=1S/C18H17BrClN3O2/c1-2-8-22-9-11-23(12-10-22)17-13(20)4-3-5-14(17)21-18(24)15-6-7-16(19)25-15/h1,3-7H,8-12H2,(H,21,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| DrugBank
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
| Assay Description
Biochemical IC50s for JNK were determined using HTRF. In each assay the phosphor-Thr71-ATF-2 product was detected using a Europium-cryptate labeled a... |
Bioorg Med Chem Lett 19: 3344-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.086
BindingDB Entry DOI: 10.7270/Q2ST7N67 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Isoform Alpha-1 of Mitogen-activated protein kinase 10 (Alpha-1) 9-402]
(Homo sapiens (Human)) | BDBM32460
(piperazine amide, 4g)Show SMILES Clc1cccc(NC(=O)c2ccc(Br)o2)c1N1CCN(CC#C)CC1 Show InChI InChI=1S/C18H17BrClN3O2/c1-2-8-22-9-11-23(12-10-22)17-13(20)4-3-5-14(17)21-18(24)15-6-7-16(19)25-15/h1,3-7H,8-12H2,(H,21,24) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| DrugBank
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | 7.0 | 22 |
The Scripps Research Institute
| Assay Description
Biochemical IC50s for JNK were determined using HTRF. In each assay the phosphor-Thr71-ATF-2 product was detected using a Europium-cryptate labeled a... |
Bioorg Med Chem Lett 19: 3344-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.086
BindingDB Entry DOI: 10.7270/Q2ST7N67 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM32469
(piperazine amide, 4p)Show InChI InChI=1S/C19H22BrN3O2/c1-3-9-22-10-12-23(13-11-22)18-14(2)5-4-6-15(18)21-19(24)16-7-8-17(20)25-16/h3-8H,1,9-13H2,2H3,(H,21,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
| Assay Description
Biochemical IC50s for JNK were determined using HTRF. In each assay the phosphor-Thr71-ATF-2 product was detected using a Europium-cryptate labeled a... |
Bioorg Med Chem Lett 19: 3344-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.086
BindingDB Entry DOI: 10.7270/Q2ST7N67 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM32461
(piperazine amide, 4h)Show SMILES Clc1cccc(NC(=O)c2ccc(Br)o2)c1N1CCN(CC1)C1CC1 Show InChI InChI=1S/C18H19BrClN3O2/c19-16-7-6-15(25-16)18(24)21-14-3-1-2-13(20)17(14)23-10-8-22(9-11-23)12-4-5-12/h1-3,6-7,12H,4-5,8-11H2,(H,21,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
| Assay Description
Biochemical IC50s for JNK were determined using HTRF. In each assay the phosphor-Thr71-ATF-2 product was detected using a Europium-cryptate labeled a... |
Bioorg Med Chem Lett 19: 3344-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.086
BindingDB Entry DOI: 10.7270/Q2ST7N67 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50338704
(2-((2-methoxyphenoxy)methyl)-6-(1H-pyrazol-4-yl)qu...)Show SMILES COc1ccccc1OCc1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 Show InChI InChI=1S/C19H16N4O3/c1-25-16-4-2-3-5-17(16)26-11-18-22-15-7-6-12(13-9-20-21-10-13)8-14(15)19(24)23-18/h2-10H,11H2,1H3,(H,20,21)(H,22,23,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 188 | n/a | n/a | n/a | n/a | n/a | n/a |
Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 by HTRF assay |
Bioorg Med Chem Lett 21: 1844-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.039
BindingDB Entry DOI: 10.7270/Q20G3KFF |
More data for this
Ligand-Target Pair | |
Isoform Alpha-1 of Mitogen-activated protein kinase 10 (Alpha-1) 9-402]
(Homo sapiens (Human)) | BDBM32469
(piperazine amide, 4p)Show InChI InChI=1S/C19H22BrN3O2/c1-3-9-22-10-12-23(13-11-22)18-14(2)5-4-6-15(18)21-19(24)16-7-8-17(20)25-16/h3-8H,1,9-13H2,2H3,(H,21,24) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | 7.0 | 22 |
The Scripps Research Institute
| Assay Description
Biochemical IC50s for JNK were determined using HTRF. In each assay the phosphor-Thr71-ATF-2 product was detected using a Europium-cryptate labeled a... |
Bioorg Med Chem Lett 19: 3344-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.086
BindingDB Entry DOI: 10.7270/Q2ST7N67 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM32489
(aryl piperidine, 9e)Show SMILES Cc1cccc(NC(=O)c2ccc(F)o2)c1N1CCC2(CC1)OCCO2 Show InChI InChI=1S/C19H21FN2O4/c1-13-3-2-4-14(21-18(23)15-5-6-16(20)26-15)17(13)22-9-7-19(8-10-22)24-11-12-25-19/h2-6H,7-12H2,1H3,(H,21,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
| Assay Description
Biochemical IC50s for JNK were determined using HTRF. In each assay the phosphor-Thr71-ATF-2 product was detected using a Europium-cryptate labeled a... |
Bioorg Med Chem Lett 19: 3344-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.086
BindingDB Entry DOI: 10.7270/Q2ST7N67 |
More data for this
Ligand-Target Pair | |
Isoform Alpha-1 of Mitogen-activated protein kinase 10 (Alpha-1) 9-402]
(Homo sapiens (Human)) | BDBM32490
(aryl piperidine, 9f)Show SMILES Cc1cccc(NC(=O)c2ccc(o2)C#N)c1N1CCC2(CC1)OCCO2 Show InChI InChI=1S/C20H21N3O4/c1-14-3-2-4-16(22-19(24)17-6-5-15(13-21)27-17)18(14)23-9-7-20(8-10-23)25-11-12-26-20/h2-6H,7-12H2,1H3,(H,22,24) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
| Assay Description
Biochemical IC50s for JNK were determined using HTRF. In each assay the phosphor-Thr71-ATF-2 product was detected using a Europium-cryptate labeled a... |
Bioorg Med Chem Lett 19: 3344-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.086
BindingDB Entry DOI: 10.7270/Q2ST7N67 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM32490
(aryl piperidine, 9f)Show SMILES Cc1cccc(NC(=O)c2ccc(o2)C#N)c1N1CCC2(CC1)OCCO2 Show InChI InChI=1S/C20H21N3O4/c1-14-3-2-4-16(22-19(24)17-6-5-15(13-21)27-17)18(14)23-9-7-20(8-10-23)25-11-12-26-20/h2-6H,7-12H2,1H3,(H,22,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
| Assay Description
Biochemical IC50s for JNK were determined using HTRF. In each assay the phosphor-Thr71-ATF-2 product was detected using a Europium-cryptate labeled a... |
Bioorg Med Chem Lett 19: 3344-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.086
BindingDB Entry DOI: 10.7270/Q2ST7N67 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM32458
(piperazine amide, 4e | piperazine amide, 6a)Show SMILES Clc1cccc(NC(=O)c2ccc(Br)o2)c1N1CCN(CC=C)CC1 Show InChI InChI=1S/C18H19BrClN3O2/c1-2-8-22-9-11-23(12-10-22)17-13(20)4-3-5-14(17)21-18(24)15-6-7-16(19)25-15/h2-7H,1,8-12H2,(H,21,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| MMDB
PC cid
PC sid
UniChem
Similars
| MMDB
Article
PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
| Assay Description
Biochemical IC50s for JNK were determined using HTRF. In each assay the phosphor-Thr71-ATF-2 product was detected using a Europium-cryptate labeled a... |
Bioorg Med Chem Lett 19: 3344-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.086
BindingDB Entry DOI: 10.7270/Q2ST7N67 |
More data for this
Ligand-Target Pair | |
Isoform Alpha-1 of Mitogen-activated protein kinase 10 (Alpha-1) 9-402]
(Homo sapiens (Human)) | BDBM32462
(piperazine amide, 4i)Show SMILES Clc1cccc(NC(=O)c2ccc(Br)o2)c1N1CCN(Cc2ccco2)CC1 Show InChI InChI=1S/C20H19BrClN3O3/c21-18-7-6-17(28-18)20(26)23-16-5-1-4-15(22)19(16)25-10-8-24(9-11-25)13-14-3-2-12-27-14/h1-7,12H,8-11,13H2,(H,23,26) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | 7.0 | 22 |
The Scripps Research Institute
| Assay Description
Biochemical IC50s for JNK were determined using HTRF. In each assay the phosphor-Thr71-ATF-2 product was detected using a Europium-cryptate labeled a... |
Bioorg Med Chem Lett 19: 3344-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.086
BindingDB Entry DOI: 10.7270/Q2ST7N67 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM32492
(aryl piperidine, 9h)Show SMILES Cc1cccc(NC(=O)c2ccc(o2)C(F)F)c1N1CCC2(CC1)OCCO2 Show InChI InChI=1S/C20H22F2N2O4/c1-13-3-2-4-14(23-19(25)16-6-5-15(28-16)18(21)22)17(13)24-9-7-20(8-10-24)26-11-12-27-20/h2-6,18H,7-12H2,1H3,(H,23,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
| Assay Description
Biochemical IC50s for JNK were determined using HTRF. In each assay the phosphor-Thr71-ATF-2 product was detected using a Europium-cryptate labeled a... |
Bioorg Med Chem Lett 19: 3344-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.086
BindingDB Entry DOI: 10.7270/Q2ST7N67 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM32462
(piperazine amide, 4i)Show SMILES Clc1cccc(NC(=O)c2ccc(Br)o2)c1N1CCN(Cc2ccco2)CC1 Show InChI InChI=1S/C20H19BrClN3O3/c21-18-7-6-17(28-18)20(26)23-16-5-1-4-15(22)19(16)25-10-8-24(9-11-25)13-14-3-2-12-27-14/h1-7,12H,8-11,13H2,(H,23,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
| Assay Description
Biochemical IC50s for JNK were determined using HTRF. In each assay the phosphor-Thr71-ATF-2 product was detected using a Europium-cryptate labeled a... |
Bioorg Med Chem Lett 19: 3344-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.086
BindingDB Entry DOI: 10.7270/Q2ST7N67 |
More data for this
Ligand-Target Pair | |
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