Found 46 hits Enz. Inhib. hit(s) with all data for entry = 50021467 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 |
|---|
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50163251
(2-(4-(4-hydroxyphenylthio)phenyl)-1H-benzo[d]imida...)Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(Sc2ccc(O)cc2)cc1 Show InChI InChI=1S/C20H15N3O2S/c21-19(25)13-3-10-17-18(11-13)23-20(22-17)12-1-6-15(7-2-12)26-16-8-4-14(24)5-9-16/h1-11,24H,(H2,21,25)(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 |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk2 |
Bioorg Med Chem Lett 17: 6467-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50225014
(2-(4-((1-(4-chlorobenzyl)piperidin-3-yl)methoxy)ph...)Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OCC2CCCN(Cc3ccc(Cl)cc3)C2)cc1 Show InChI InChI=1S/C27H27ClN4O2/c28-22-8-3-18(4-9-22)15-32-13-1-2-19(16-32)17-34-23-10-5-20(6-11-23)27-30-24-12-7-21(26(29)33)14-25(24)31-27/h3-12,14,19H,1-2,13,15-17H2,(H2,29,33)(H,30,31) | PDB
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| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk2 |
Bioorg Med Chem Lett 17: 6467-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM34064
(2-arylbenzimidazole | CHEMBL179583)Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(Oc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C20H14ClN3O2/c21-14-4-8-16(9-5-14)26-15-6-1-12(2-7-15)20-23-17-10-3-13(19(22)25)11-18(17)24-20/h1-11H,(H2,22,25)(H,23,24) | PDB
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk2 |
Bioorg Med Chem Lett 17: 6467-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50225008
(2-(4-(2-(1-benzoylpiperidin-4-yl)ethoxy)phenyl)-1H...)Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OCCC2CCN(CC2)C(=O)c2ccccc2)cc1 Show InChI InChI=1S/C28H28N4O3/c29-26(33)22-8-11-24-25(18-22)31-27(30-24)20-6-9-23(10-7-20)35-17-14-19-12-15-32(16-13-19)28(34)21-4-2-1-3-5-21/h1-11,18-19H,12-17H2,(H2,29,33)(H,30,31) | PDB
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| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk2 |
Bioorg Med Chem Lett 17: 6467-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50225005
(2-(4-((1s,4s)-4-(hydroxymethyl)cyclohexyloxy)pheny...)Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(O[C@@H]2CC[C@H](CO)CC2)cc1 |wU:17.18,20.22,(-8.66,-18.67,;-7.34,-17.9,;-7.34,-16.37,;-5.99,-18.68,;-5.99,-20.21,;-4.65,-20.98,;-3.33,-20.21,;-1.87,-20.69,;-.97,-19.45,;-1.87,-18.2,;-3.33,-18.67,;-4.65,-17.91,;.57,-19.53,;1.3,-20.9,;2.84,-20.96,;3.67,-19.64,;5.2,-19.69,;6,-18.37,;7.55,-18.41,;8.33,-17.09,;7.61,-15.73,;8.42,-14.42,;9.95,-14.47,;6.06,-15.69,;5.26,-17.01,;2.95,-18.3,;1.4,-18.24,)| Show InChI InChI=1S/C21H23N3O3/c22-20(26)15-5-10-18-19(11-15)24-21(23-18)14-3-8-17(9-4-14)27-16-6-1-13(12-25)2-7-16/h3-5,8-11,13,16,25H,1-2,6-7,12H2,(H2,22,26)(H,23,24)/t13-,16+ | PDB
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| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk2 |
Bioorg Med Chem Lett 17: 6467-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50225011
(2-(4-((1-benzylpiperidin-3-yl)methoxy)phenyl)-1H-b...)Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OCC2CCCN(Cc3ccccc3)C2)cc1 Show InChI InChI=1S/C27H28N4O2/c28-26(32)22-10-13-24-25(15-22)30-27(29-24)21-8-11-23(12-9-21)33-18-20-7-4-14-31(17-20)16-19-5-2-1-3-6-19/h1-3,5-6,8-13,15,20H,4,7,14,16-18H2,(H2,28,32)(H,29,30) | PDB
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| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk2 |
Bioorg Med Chem Lett 17: 6467-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50224988
(2-(4-((1-benzoylpiperidin-4-yl)methoxy)phenyl)-1H-...)Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OCC2CCN(CC2)C(=O)c2ccccc2)cc1 Show InChI InChI=1S/C27H26N4O3/c28-25(32)21-8-11-23-24(16-21)30-26(29-23)19-6-9-22(10-7-19)34-17-18-12-14-31(15-13-18)27(33)20-4-2-1-3-5-20/h1-11,16,18H,12-15,17H2,(H2,28,32)(H,29,30) | PDB
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| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk2 |
Bioorg Med Chem Lett 17: 6467-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50224983
(2-(4-(2-(1-benzylpiperidin-2-yl)ethoxy)phenyl)-1H-...)Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OCCC2CCCCN2Cc2ccccc2)cc1 Show InChI InChI=1S/C28H30N4O2/c29-27(33)22-11-14-25-26(18-22)31-28(30-25)21-9-12-24(13-10-21)34-17-15-23-8-4-5-16-32(23)19-20-6-2-1-3-7-20/h1-3,6-7,9-14,18,23H,4-5,8,15-17,19H2,(H2,29,33)(H,30,31) | PDB
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| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk2 |
Bioorg Med Chem Lett 17: 6467-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50225021
(2-(4-(2-hydroxyethoxy)phenyl)-1H-benzo[d]imidazole...)Show InChI InChI=1S/C16H15N3O3/c17-15(21)11-3-6-13-14(9-11)19-16(18-13)10-1-4-12(5-2-10)22-8-7-20/h1-6,9,20H,7-8H2,(H2,17,21)(H,18,19) | PDB
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| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk2 |
Bioorg Med Chem Lett 17: 6467-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50225002
(2-(4-(2-(1-benzoylpiperidin-2-yl)ethoxy)phenyl)-1H...)Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OCCC2CCCCN2C(=O)c2ccccc2)cc1 Show InChI InChI=1S/C28H28N4O3/c29-26(33)21-11-14-24-25(18-21)31-27(30-24)19-9-12-23(13-10-19)35-17-15-22-8-4-5-16-32(22)28(34)20-6-2-1-3-7-20/h1-3,6-7,9-14,18,22H,4-5,8,15-17H2,(H2,29,33)(H,30,31) | PDB
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| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk2 |
Bioorg Med Chem Lett 17: 6467-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50224997
(2-(4-(2-(1-(4-chlorobenzyl)piperidin-2-yl)ethoxy)p...)Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OCCC2CCCCN2Cc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C28H29ClN4O2/c29-22-9-4-19(5-10-22)18-33-15-2-1-3-23(33)14-16-35-24-11-6-20(7-12-24)28-31-25-13-8-21(27(30)34)17-26(25)32-28/h4-13,17,23H,1-3,14-16,18H2,(H2,30,34)(H,31,32) | PDB
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| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk2 |
Bioorg Med Chem Lett 17: 6467-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50225006
(2-(4-((1-(4-methoxybenzyl)piperidin-3-yl)methoxy)p...)Show SMILES COc1ccc(CN2CCCC(COc3ccc(cc3)-c3nc4ccc(cc4[nH]3)C(N)=O)C2)cc1 Show InChI InChI=1S/C28H30N4O3/c1-34-23-9-4-19(5-10-23)16-32-14-2-3-20(17-32)18-35-24-11-6-21(7-12-24)28-30-25-13-8-22(27(29)33)15-26(25)31-28/h4-13,15,20H,2-3,14,16-18H2,1H3,(H2,29,33)(H,30,31) | PDB
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| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk2 |
Bioorg Med Chem Lett 17: 6467-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50224998
(2-{4-[1-(4-methyl-benzyl)-piperidin-3-ylmethoxy]-p...)Show SMILES Cc1ccc(CN2CCCC(COc3ccc(cc3)-c3nc4ccc(cc4[nH]3)C(N)=O)C2)cc1 Show InChI InChI=1S/C28H30N4O2/c1-19-4-6-20(7-5-19)16-32-14-2-3-21(17-32)18-34-24-11-8-22(9-12-24)28-30-25-13-10-23(27(29)33)15-26(25)31-28/h4-13,15,21H,2-3,14,16-18H2,1H3,(H2,29,33)(H,30,31) | PDB
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| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk2 |
Bioorg Med Chem Lett 17: 6467-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50224993
(2-(4-((1-(4-chlorobenzyl)piperidin-4-yl)methoxy)ph...)Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OCC2CCN(Cc3ccc(Cl)cc3)CC2)cc1 Show InChI InChI=1S/C27H27ClN4O2/c28-22-6-1-18(2-7-22)16-32-13-11-19(12-14-32)17-34-23-8-3-20(4-9-23)27-30-24-10-5-21(26(29)33)15-25(24)31-27/h1-10,15,19H,11-14,16-17H2,(H2,29,33)(H,30,31) | PDB
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Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk2 |
Bioorg Med Chem Lett 17: 6467-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50225012
(2-(4-{2-[1-(4-methyl-benzyl)-piperidin-2-yl]-ethox...)Show SMILES Cc1ccc(CN2CCCCC2CCOc2ccc(cc2)-c2nc3ccc(cc3[nH]2)C(N)=O)cc1 Show InChI InChI=1S/C29H32N4O2/c1-20-5-7-21(8-6-20)19-33-16-3-2-4-24(33)15-17-35-25-12-9-22(10-13-25)29-31-26-14-11-23(28(30)34)18-27(26)32-29/h5-14,18,24H,2-4,15-17,19H2,1H3,(H2,30,34)(H,31,32) | PDB
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| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk2 |
Bioorg Med Chem Lett 17: 6467-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50225018
(2-(4-((1-(4-methoxybenzyl)piperidin-4-yl)methoxy)p...)Show SMILES COc1ccc(CN2CCC(COc3ccc(cc3)-c3nc4ccc(cc4[nH]3)C(N)=O)CC2)cc1 Show InChI InChI=1S/C28H30N4O3/c1-34-23-7-2-19(3-8-23)17-32-14-12-20(13-15-32)18-35-24-9-4-21(5-10-24)28-30-25-11-6-22(27(29)33)16-26(25)31-28/h2-11,16,20H,12-15,17-18H2,1H3,(H2,29,33)(H,30,31) | PDB
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| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk2 |
Bioorg Med Chem Lett 17: 6467-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50224986
(2-{4-[1-(4-methyl-benzyl)-piperidin-4-ylmethoxy]-p...)Show SMILES Cc1ccc(CN2CCC(COc3ccc(cc3)-c3nc4ccc(cc4[nH]3)C(N)=O)CC2)cc1 Show InChI InChI=1S/C28H30N4O2/c1-19-2-4-20(5-3-19)17-32-14-12-21(13-15-32)18-34-24-9-6-22(7-10-24)28-30-25-11-8-23(27(29)33)16-26(25)31-28/h2-11,16,21H,12-15,17-18H2,1H3,(H2,29,33)(H,30,31) | PDB
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| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk2 |
Bioorg Med Chem Lett 17: 6467-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50225019
(2-(4-((1-benzylpiperidin-4-yl)methoxy)phenyl)-1H-b...)Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OCC2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C27H28N4O2/c28-26(32)22-8-11-24-25(16-22)30-27(29-24)21-6-9-23(10-7-21)33-18-20-12-14-31(15-13-20)17-19-4-2-1-3-5-19/h1-11,16,20H,12-15,17-18H2,(H2,28,32)(H,29,30) | PDB
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| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk2 |
Bioorg Med Chem Lett 17: 6467-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50224981
(2-(4-(3-hydroxycyclopentyloxy)phenyl)-1H-benzo[d]i...)Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OC2CCC(O)C2)cc1 Show InChI InChI=1S/C19H19N3O3/c20-18(24)12-3-8-16-17(9-12)22-19(21-16)11-1-5-14(6-2-11)25-15-7-4-13(23)10-15/h1-3,5-6,8-9,13,15,23H,4,7,10H2,(H2,20,24)(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 |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk2 |
Bioorg Med Chem Lett 17: 6467-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50224980
(2-(4-(3-hydroxypropoxy)phenyl)-1H-benzo[d]imidazol...)Show InChI InChI=1S/C17H17N3O3/c18-16(22)12-4-7-14-15(10-12)20-17(19-14)11-2-5-13(6-3-11)23-9-1-8-21/h2-7,10,21H,1,8-9H2,(H2,18,22)(H,19,20) | PDB
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| n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk2 |
Bioorg Med Chem Lett 17: 6467-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50224994
(2-(4-(2-(1-(4-methoxybenzyl)piperidin-2-yl)ethoxy)...)Show SMILES COc1ccc(CN2CCCCC2CCOc2ccc(cc2)-c2nc3ccc(cc3[nH]2)C(N)=O)cc1 Show InChI InChI=1S/C29H32N4O3/c1-35-24-10-5-20(6-11-24)19-33-16-3-2-4-23(33)15-17-36-25-12-7-21(8-13-25)29-31-26-14-9-22(28(30)34)18-27(26)32-29/h5-14,18,23H,2-4,15-17,19H2,1H3,(H2,30,34)(H,31,32) | PDB
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| n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk2 |
Bioorg Med Chem Lett 17: 6467-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50224990
(2-(4-((1-acetylpiperidin-4-yl)methoxy)phenyl)-1H-b...)Show SMILES CC(=O)N1CCC(COc2ccc(cc2)-c2nc3ccc(cc3[nH]2)C(N)=O)CC1 Show InChI InChI=1S/C22H24N4O3/c1-14(27)26-10-8-15(9-11-26)13-29-18-5-2-16(3-6-18)22-24-19-7-4-17(21(23)28)12-20(19)25-22/h2-7,12,15H,8-11,13H2,1H3,(H2,23,28)(H,24,25) | PDB
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| n/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk2 |
Bioorg Med Chem Lett 17: 6467-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50224992
(2-(4-(4-hydroxycyclohexyloxy)phenyl)-1H-benzo[d]im...)Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OC2CCC(O)CC2)cc1 |(11.67,-7.06,;13.01,-6.28,;13.01,-4.74,;14.34,-7.05,;14.34,-8.6,;15.67,-9.37,;17.01,-8.59,;18.48,-9.06,;19.38,-7.81,;18.47,-6.56,;17,-7.05,;15.67,-6.28,;20.92,-7.8,;21.7,-9.13,;23.23,-9.12,;24,-7.78,;25.54,-7.77,;26.3,-6.43,;27.83,-6.42,;28.59,-5.09,;27.82,-3.76,;28.59,-2.42,;26.28,-3.77,;25.51,-5.11,;23.21,-6.45,;21.68,-6.46,)| Show InChI InChI=1S/C20H21N3O3/c21-19(25)13-3-10-17-18(11-13)23-20(22-17)12-1-6-15(7-2-12)26-16-8-4-14(24)5-9-16/h1-3,6-7,10-11,14,16,24H,4-5,8-9H2,(H2,21,25)(H,22,23) | PDB
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| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk2 |
Bioorg Med Chem Lett 17: 6467-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50224989
(2-(4-(2-(1-(4-chlorobenzyl)piperidin-4-yl)ethoxy)p...)Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OCCC2CCN(Cc3ccc(Cl)cc3)CC2)cc1 Show InChI InChI=1S/C28H29ClN4O2/c29-23-6-1-20(2-7-23)18-33-14-11-19(12-15-33)13-16-35-24-8-3-21(4-9-24)28-31-25-10-5-22(27(30)34)17-26(25)32-28/h1-10,17,19H,11-16,18H2,(H2,30,34)(H,31,32) | PDB
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| n/a | n/a | 82 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk2 |
Bioorg Med Chem Lett 17: 6467-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50224995
(2-(4-(2-(1-acetylpiperidin-4-yl)ethoxy)phenyl)-1H-...)Show SMILES CC(=O)N1CCC(CCOc2ccc(cc2)-c2nc3ccc(cc3[nH]2)C(N)=O)CC1 Show InChI InChI=1S/C23H26N4O3/c1-15(28)27-11-8-16(9-12-27)10-13-30-19-5-2-17(3-6-19)23-25-20-7-4-18(22(24)29)14-21(20)26-23/h2-7,14,16H,8-13H2,1H3,(H2,24,29)(H,25,26) | PDB
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| n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk2 |
Bioorg Med Chem Lett 17: 6467-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50224987
(2-(4-(2-(1-benzylpiperidin-4-yl)ethoxy)phenyl)-1H-...)Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OCCC2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C28H30N4O2/c29-27(33)23-8-11-25-26(18-23)31-28(30-25)22-6-9-24(10-7-22)34-17-14-20-12-15-32(16-13-20)19-21-4-2-1-3-5-21/h1-11,18,20H,12-17,19H2,(H2,29,33)(H,30,31) | PDB
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| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk2 |
Bioorg Med Chem Lett 17: 6467-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50224996
(2-(4-{2-[1-(4-methyl-benzyl)-piperidin-4-yl]-ethox...)Show SMILES Cc1ccc(CN2CCC(CCOc3ccc(cc3)-c3nc4ccc(cc4[nH]3)C(N)=O)CC2)cc1 Show InChI InChI=1S/C29H32N4O2/c1-20-2-4-22(5-3-20)19-33-15-12-21(13-16-33)14-17-35-25-9-6-23(7-10-25)29-31-26-11-8-24(28(30)34)18-27(26)32-29/h2-11,18,21H,12-17,19H2,1H3,(H2,30,34)(H,31,32) | PDB
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| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk2 |
Bioorg Med Chem Lett 17: 6467-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50225020
(2-(4-(2-(1-(4-methoxybenzyl)piperidin-4-yl)ethoxy)...)Show SMILES COc1ccc(CN2CCC(CCOc3ccc(cc3)-c3nc4ccc(cc4[nH]3)C(N)=O)CC2)cc1 Show InChI InChI=1S/C29H32N4O3/c1-35-24-7-2-21(3-8-24)19-33-15-12-20(13-16-33)14-17-36-25-9-4-22(5-10-25)29-31-26-11-6-23(28(30)34)18-27(26)32-29/h2-11,18,20H,12-17,19H2,1H3,(H2,30,34)(H,31,32) | PDB
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| n/a | n/a | 95 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk2 |
Bioorg Med Chem Lett 17: 6467-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50224991
(2-(4-(1-acetylpiperidin-3-yloxy)phenyl)-1H-benzo[d...)Show SMILES CC(=O)N1CCCC(C1)Oc1ccc(cc1)-c1nc2ccc(cc2[nH]1)C(N)=O Show InChI InChI=1S/C21H22N4O3/c1-13(26)25-10-2-3-17(12-25)28-16-7-4-14(5-8-16)21-23-18-9-6-15(20(22)27)11-19(18)24-21/h4-9,11,17H,2-3,10,12H2,1H3,(H2,22,27)(H,23,24) | PDB
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| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk2 |
Bioorg Med Chem Lett 17: 6467-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50225001
(2-(4-(1-benzylpyrrolidin-3-yloxy)phenyl)-1H-benzo[...)Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OC2CCN(Cc3ccccc3)C2)cc1 Show InChI InChI=1S/C25H24N4O2/c26-24(30)19-8-11-22-23(14-19)28-25(27-22)18-6-9-20(10-7-18)31-21-12-13-29(16-21)15-17-4-2-1-3-5-17/h1-11,14,21H,12-13,15-16H2,(H2,26,30)(H,27,28) | PDB
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| n/a | n/a | 109 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk2 |
Bioorg Med Chem Lett 17: 6467-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50225007
(2-(4-(3-(piperidin-1-yl)propoxy)phenyl)-1H-benzo[d...)Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OCCCN2CCCCC2)cc1 Show InChI InChI=1S/C22H26N4O2/c23-21(27)17-7-10-19-20(15-17)25-22(24-19)16-5-8-18(9-6-16)28-14-4-13-26-11-2-1-3-12-26/h5-10,15H,1-4,11-14H2,(H2,23,27)(H,24,25) | PDB
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| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk2 |
Bioorg Med Chem Lett 17: 6467-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50225016
(2-(4-(2-(1-(3,4-dichlorobenzyl)piperidin-2-yl)etho...)Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OCCC2CCCCN2Cc2ccc(Cl)c(Cl)c2)cc1 Show InChI InChI=1S/C28H28Cl2N4O2/c29-23-10-4-18(15-24(23)30)17-34-13-2-1-3-21(34)12-14-36-22-8-5-19(6-9-22)28-32-25-11-7-20(27(31)35)16-26(25)33-28/h4-11,15-16,21H,1-3,12-14,17H2,(H2,31,35)(H,32,33) | PDB
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| n/a | n/a | 114 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk2 |
Bioorg Med Chem Lett 17: 6467-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50225015
(2-(4-((1-acetylpiperidin-3-yl)methoxy)phenyl)-1H-b...)Show SMILES CC(=O)N1CCCC(COc2ccc(cc2)-c2nc3ccc(cc3[nH]2)C(N)=O)C1 Show InChI InChI=1S/C22H24N4O3/c1-14(27)26-10-2-3-15(12-26)13-29-18-7-4-16(5-8-18)22-24-19-9-6-17(21(23)28)11-20(19)25-22/h4-9,11,15H,2-3,10,12-13H2,1H3,(H2,23,28)(H,24,25) | PDB
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| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk2 |
Bioorg Med Chem Lett 17: 6467-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50224999
(2-(4-(2-(1-(3,4-dichlorobenzyl)piperidin-4-yl)etho...)Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OCCC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 Show InChI InChI=1S/C28H28Cl2N4O2/c29-23-7-1-19(15-24(23)30)17-34-12-9-18(10-13-34)11-14-36-22-5-2-20(3-6-22)28-32-25-8-4-21(27(31)35)16-26(25)33-28/h1-8,15-16,18H,9-14,17H2,(H2,31,35)(H,32,33) | PDB
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| n/a | n/a | 157 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk2 |
Bioorg Med Chem Lett 17: 6467-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50224985
(2-(4-(piperidin-3-ylmethoxy)phenyl)-1H-benzo[d]imi...)Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OCC2CCCNC2)cc1 Show InChI InChI=1S/C20H22N4O2/c21-19(25)15-5-8-17-18(10-15)24-20(23-17)14-3-6-16(7-4-14)26-12-13-2-1-9-22-11-13/h3-8,10,13,22H,1-2,9,11-12H2,(H2,21,25)(H,23,24) | PDB
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| n/a | n/a | 158 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk2 |
Bioorg Med Chem Lett 17: 6467-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50225000
(2-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-1H-benzo[d]...)Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C21H24N4O2/c22-20(26)16-6-9-18-19(14-16)24-21(23-18)15-4-7-17(8-5-15)27-13-12-25-10-2-1-3-11-25/h4-9,14H,1-3,10-13H2,(H2,22,26)(H,23,24) | PDB
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| n/a | n/a | 174 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk2 |
Bioorg Med Chem Lett 17: 6467-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50225022
(2-(4-(3-(dimethylamino)propoxy)phenyl)-1H-benzo[d]...)Show SMILES CN(C)CCCOc1ccc(cc1)-c1nc2ccc(cc2[nH]1)C(N)=O Show InChI InChI=1S/C19H22N4O2/c1-23(2)10-3-11-25-15-7-4-13(5-8-15)19-21-16-9-6-14(18(20)24)12-17(16)22-19/h4-9,12H,3,10-11H2,1-2H3,(H2,20,24)(H,21,22) | PDB
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Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk2 |
Bioorg Med Chem Lett 17: 6467-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50225013
(2-(4-((1-(3,4-dichlorobenzyl)piperidin-4-yl)methox...)Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OCC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 Show InChI InChI=1S/C27H26Cl2N4O2/c28-22-7-1-18(13-23(22)29)15-33-11-9-17(10-12-33)16-35-21-5-2-19(3-6-21)27-31-24-8-4-20(26(30)34)14-25(24)32-27/h1-8,13-14,17H,9-12,15-16H2,(H2,30,34)(H,31,32) | PDB
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| n/a | n/a | 176 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk2 |
Bioorg Med Chem Lett 17: 6467-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50224982
(2-(4-((1-(3,4-dichlorobenzyl)piperidin-3-yl)methox...)Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OCC2CCCN(Cc3ccc(Cl)c(Cl)c3)C2)cc1 Show InChI InChI=1S/C27H26Cl2N4O2/c28-22-9-3-17(12-23(22)29)14-33-11-1-2-18(15-33)16-35-21-7-4-19(5-8-21)27-31-24-10-6-20(26(30)34)13-25(24)32-27/h3-10,12-13,18H,1-2,11,14-16H2,(H2,30,34)(H,31,32) | PDB
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| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk2 |
Bioorg Med Chem Lett 17: 6467-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50224979
(2-(4-(piperidin-3-yloxy)phenyl)-1H-benzo[d]imidazo...)Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OC2CCCNC2)cc1 Show InChI InChI=1S/C19H20N4O2/c20-18(24)13-5-8-16-17(10-13)23-19(22-16)12-3-6-14(7-4-12)25-15-2-1-9-21-11-15/h3-8,10,15,21H,1-2,9,11H2,(H2,20,24)(H,22,23) | PDB
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| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk2 |
Bioorg Med Chem Lett 17: 6467-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50225004
(2-(4-(piperidin-4-ylmethoxy)phenyl)-1H-benzo[d]imi...)Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OCC2CCNCC2)cc1 Show InChI InChI=1S/C20H22N4O2/c21-19(25)15-3-6-17-18(11-15)24-20(23-17)14-1-4-16(5-2-14)26-12-13-7-9-22-10-8-13/h1-6,11,13,22H,7-10,12H2,(H2,21,25)(H,23,24) | PDB
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Article
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| n/a | n/a | 231 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk2 |
Bioorg Med Chem Lett 17: 6467-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50225003
(2-(4-(1-methylpiperidin-4-yloxy)phenyl)-1H-benzo[d...)Show SMILES CN1CCC(CC1)Oc1ccc(cc1)-c1nc2ccc(cc2[nH]1)C(N)=O Show InChI InChI=1S/C20H22N4O2/c1-24-10-8-16(9-11-24)26-15-5-2-13(3-6-15)20-22-17-7-4-14(19(21)25)12-18(17)23-20/h2-7,12,16H,8-11H2,1H3,(H2,21,25)(H,22,23) | PDB
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| n/a | n/a | 233 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk2 |
Bioorg Med Chem Lett 17: 6467-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50224984
(2-(4-(2-(1-acetylpiperidin-2-yl)ethoxy)phenyl)-1H-...)Show SMILES CC(=O)N1CCCCC1CCOc1ccc(cc1)-c1nc2ccc(cc2[nH]1)C(N)=O Show InChI InChI=1S/C23H26N4O3/c1-15(28)27-12-3-2-4-18(27)11-13-30-19-8-5-16(6-9-19)23-25-20-10-7-17(22(24)29)14-21(20)26-23/h5-10,14,18H,2-4,11-13H2,1H3,(H2,24,29)(H,25,26) | PDB
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| n/a | n/a | 292 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk2 |
Bioorg Med Chem Lett 17: 6467-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50225009
(2-(4-((1r,4r)-4-(hydroxymethyl)cyclohexyloxy)pheny...)Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(O[C@H]2CC[C@H](CO)CC2)cc1 |wU:17.18,wD:20.22,(15.13,-18.17,;16.45,-17.4,;16.45,-15.86,;17.8,-18.18,;17.8,-19.71,;19.14,-20.48,;20.46,-19.71,;21.92,-20.19,;22.82,-18.95,;21.92,-17.7,;20.46,-18.17,;19.14,-17.41,;24.37,-19.03,;25.09,-20.39,;26.63,-20.46,;27.46,-19.14,;29,-19.18,;29.79,-17.87,;29.06,-16.51,;29.85,-15.19,;31.4,-15.23,;32.21,-13.92,;33.74,-13.96,;32.13,-16.58,;31.34,-17.9,;26.74,-17.79,;25.19,-17.73,)| Show InChI InChI=1S/C21H23N3O3/c22-20(26)15-5-10-18-19(11-15)24-21(23-18)14-3-8-17(9-4-14)27-16-6-1-13(12-25)2-7-16/h3-5,8-11,13,16,25H,1-2,6-7,12H2,(H2,22,26)(H,23,24)/t13-,16- | PDB
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| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk2 |
Bioorg Med Chem Lett 17: 6467-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50225010
(2-(4-(piperidin-4-yloxy)phenyl)-1H-benzo[d]imidazo...)Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OC2CCNCC2)cc1 Show InChI InChI=1S/C19H20N4O2/c20-18(24)13-3-6-16-17(11-13)23-19(22-16)12-1-4-14(5-2-12)25-15-7-9-21-10-8-15/h1-6,11,15,21H,7-10H2,(H2,20,24)(H,22,23) | PDB
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| n/a | n/a | 710 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk2 |
Bioorg Med Chem Lett 17: 6467-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50225017
(2-(4-(1-methylpyrrolidin-3-yloxy)phenyl)-1H-benzo[...)Show SMILES CN1CCC(C1)Oc1ccc(cc1)-c1nc2ccc(cc2[nH]1)C(N)=O Show InChI InChI=1S/C19H20N4O2/c1-23-9-8-15(11-23)25-14-5-2-12(3-6-14)19-21-16-7-4-13(18(20)24)10-17(16)22-19/h2-7,10,15H,8-9,11H2,1H3,(H2,20,24)(H,21,22) | PDB
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| n/a | n/a | 710 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk2 |
Bioorg Med Chem Lett 17: 6467-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB |
More data for this
Ligand-Target Pair | |
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