Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Chk1' and Ligand = 'BDBM50204706' 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 Chk1
(Homo sapiens (Human)) | BDBM50204706
(4-{6-[(cis-4-methyl-cyclohexylamino)-methyl]-1,4-d...)Show SMILES C[C@H]1CC[C@H](CC1)NCc1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)C(O)=O)c1 |wU:4.7,1.0,(-9.25,-12.15,;-7.92,-11.38,;-7.91,-9.84,;-6.58,-9.08,;-5.24,-9.86,;-5.24,-11.39,;-6.59,-12.16,;-3.91,-9.09,;-2.57,-9.86,;-1.24,-9.09,;-1.24,-7.55,;.09,-6.78,;1.42,-7.54,;1.42,-9.09,;2.9,-9.57,;3.81,-8.32,;5.29,-7.84,;5.3,-6.29,;3.82,-5.8,;2.9,-7.06,;6.54,-8.74,;6.37,-10.28,;7.61,-11.18,;9.02,-10.56,;9.18,-9.02,;7.94,-8.12,;10.27,-11.46,;11.67,-10.84,;10.11,-12.99,;.09,-9.86,)| Show InChI InChI=1S/C25H27N3O2/c1-15-2-9-20(10-3-15)26-14-16-4-11-21-19(12-16)13-22-23(27-28-24(21)22)17-5-7-18(8-6-17)25(29)30/h4-8,11-12,15,20,26H,2-3,9-10,13-14H2,1H3,(H,27,28)(H,29,30)/t15-,20+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of Chk1 |
J Med Chem 52: 3159-65 (2009)
Article DOI: 10.1021/jm801444x BindingDB Entry DOI: 10.7270/Q2FF3TM8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50204706
(4-{6-[(cis-4-methyl-cyclohexylamino)-methyl]-1,4-d...)Show SMILES C[C@H]1CC[C@H](CC1)NCc1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)C(O)=O)c1 |wU:4.7,1.0,(-9.25,-12.15,;-7.92,-11.38,;-7.91,-9.84,;-6.58,-9.08,;-5.24,-9.86,;-5.24,-11.39,;-6.59,-12.16,;-3.91,-9.09,;-2.57,-9.86,;-1.24,-9.09,;-1.24,-7.55,;.09,-6.78,;1.42,-7.54,;1.42,-9.09,;2.9,-9.57,;3.81,-8.32,;5.29,-7.84,;5.3,-6.29,;3.82,-5.8,;2.9,-7.06,;6.54,-8.74,;6.37,-10.28,;7.61,-11.18,;9.02,-10.56,;9.18,-9.02,;7.94,-8.12,;10.27,-11.46,;11.67,-10.84,;10.11,-12.99,;.09,-9.86,)| Show InChI InChI=1S/C25H27N3O2/c1-15-2-9-20(10-3-15)26-14-16-4-11-21-19(12-16)13-22-23(27-28-24(21)22)17-5-7-18(8-6-17)25(29)30/h4-8,11-12,15,20,26H,2-3,9-10,13-14H2,1H3,(H,27,28)(H,29,30)/t15-,20+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of recombinant CHK1 assessed as human Cdc25C phosphorylation |
Bioorg Med Chem 15: 2759-67 (2007)
Article DOI: 10.1016/j.bmc.2007.01.012 BindingDB Entry DOI: 10.7270/Q2XS5V22 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |