Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-3' and Ligand = 'BDBM50189368'   

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))	BDBM50189368 (CHEMBL214215 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...) Show SMILES COc1cccc(c1)C(=O)NNC(=O)C1(CCCCC1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C20H25N3O7/c1-29-13-7-5-6-12(10-13)16(25)22-23-19(28)20(8-3-2-4-9-20)18(27)21-14-11-15(24)30-17(14)26/h5-7,10,14,17,26H,2-4,8-9,11H2,1H3,(H,21,27)(H,22,25)(H,23,28)/t14-,17?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of caspase3				Bioorg Med Chem Lett 16: 4233-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.076 BindingDB Entry DOI: 10.7270/Q20001RW
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