Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-8' and Ligand = 'BDBM10222'   

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-8 (Homo sapiens (Human))	BDBM10222 (4-chlorophenyl 2-(2,3-dihydro-1,4-benzodioxin-2-yl...) Show SMILES Clc1ccc(OC(=O)c2csc(n2)C2COc3ccccc3O2)cc1 Show InChI InChI=1S/C18H12ClNO4S/c19-11-5-7-12(8-6-11)23-18(21)13-10-25-17(20-13)16-9-22-14-3-1-2-4-15(14)24-16/h1-8,10,16H,9H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute					Assay Description Fluorescent assays were carried out in black 96-well plates. Caspase activity was monitored using a Labsystem Fluoroskan II spectrofluorometer with a...				J Med Chem 48: 1649-56 (2005) Article DOI: 10.1021/jm0493212 BindingDB Entry DOI: 10.7270/Q2GT5KDJ
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