Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with all data for entry = 50032234   

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
Caspase-3 (Homo sapiens (Human))	BDBM50326058 (CHEMBL1242213 | N-(3-(imidazo[1,2-a]pyridin-2-yl)p...) Show SMILES COc1cccc2cc(C(=O)Nc3cccc(c3)-c3cn4ccccc4n3)c(=O)oc12 Show InChI InChI=1S/C24H17N3O4/c1-30-20-9-5-7-16-13-18(24(29)31-22(16)20)23(28)25-17-8-4-6-15(12-17)19-14-27-11-3-2-10-21(27)26-19/h2-14H,1H3,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of mature Caspase3				Nat Chem Biol 6: 179-188 (2010) Article DOI: 10.1038/nchembio.318 BindingDB Entry DOI: 10.7270/Q25Q4W9Q
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