Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Chk2' and Ligand = 'BDBM50291880'   

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))	BDBM50291880 (CHEMBL4164161) Show SMILES OC(=O)c1ccc2[nH]c(nc2c1)-c1ccc(Nc2nc(=S)[nH]c(-c3ccc(cc3)[N+]([O-])=O)c2C#N)cc1 Show InChI InChI=1S/C25H15N7O4S/c26-12-18-21(13-3-8-17(9-4-13)32(35)36)30-25(37)31-23(18)27-16-6-1-14(2-7-16)22-28-19-10-5-15(24(33)34)11-20(19)29-22/h1-11H,(H,28,29)(H,33,34)(H2,27,30,31,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
National Research Centre Curated by ChEMBL					Assay Description Inhibition of Chk2 (unknown origin) assessed as decrease in Cdc25C phosphorylation at Ser216 by ELISA based spectrophotometric analysis				Eur J Med Chem 146: 687-708 (2018) Article DOI: 10.1016/j.ejmech.2018.01.072 BindingDB Entry DOI: 10.7270/Q2TQ643K
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