Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-3' and Ligand = 'BDBM10255'   

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))	BDBM10255 (2-methoxy-N-(1,3,4-trioxo-1,2,3,4-tetrahydroisoqui...) Show SMILES COc1ccccc1C(=O)Nc1cccc2C(=O)NC(=O)C(=O)c12 Show InChI InChI=1S/C17H12N2O5/c1-24-12-8-3-2-5-9(12)15(21)18-11-7-4-6-10-13(11)14(20)17(23)19-16(10)22/h2-8H,1H3,(H,18,21)(H,19,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	7.5	35
Shanghai Institutes for Biological Sciences					Assay Description The rate of chromogenic substrate hydrolysis was monitored by the change of absorbance at 405 nm for 3 min. Compounds were tested in duplicate. The I...				J Med Chem 49: 1613-23 (2006) Article DOI: 10.1021/jm050896o BindingDB Entry DOI: 10.7270/Q23N21MB
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