Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Chk1' and Ligand = 'BDBM50212507'   

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))	BDBM50212507 (4'-[6-(4-methyl-piperazin-1-ylmethyl)-1,4-dihydro-...) Show SMILES CN1CCN(Cc2ccc-3c(Cc4c(n[nH]c-34)-c3ccc(cc3)-c3ccc(O)cc3)c2)CC1 Show InChI InChI=1S/C28H28N4O/c1-31-12-14-32(15-13-31)18-19-2-11-25-23(16-19)17-26-27(29-30-28(25)26)22-5-3-20(4-6-22)21-7-9-24(33)10-8-21/h2-11,16,33H,12-15,17-18H2,1H3,(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant CHK-mediated Cdc25C phosphorylation after 30 mins				Bioorg Med Chem Lett 17: 3618-23 (2007) Article DOI: 10.1016/j.bmcl.2007.04.055 BindingDB Entry DOI: 10.7270/Q2DR2V6Q
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