Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Chk2' and Ligand = 'BDBM50291376'   

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))	BDBM50291376 (CHEMBL4170505) Show SMILES Cc1nn(c(Oc2ccc(cc2)-c2nc3cc(ccc3[nH]2)[N+]([O-])=O)c1\C=N\Nc1ccccc1)-c1ccccc1 Show InChI InChI=1S/C30H23N7O3/c1-20-26(19-31-34-22-8-4-2-5-9-22)30(36(35-20)23-10-6-3-7-11-23)40-25-15-12-21(13-16-25)29-32-27-17-14-24(37(38)39)18-28(27)33-29/h2-19,34H,1H3,(H,32,33)/b31-19+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	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) by spectrophotometric analysis				Eur J Med Chem 144: 859-873 (2018) Article DOI: 10.1016/j.ejmech.2017.12.023 BindingDB Entry DOI: 10.7270/Q2KD21F1
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