Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-8' and Ligand = 'BDBM29571'   

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))	BDBM29571 (isatin sulfonamide, 10a) Show SMILES O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)S(=O)(=O)N1CCSCC1 Show InChI InChI=1S/C19H18N2O4S2/c22-18-16-12-15(27(24,25)20-8-10-26-11-9-20)6-7-17(16)21(19(18)23)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2	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	>5.00E+4	n/a	n/a	n/a	n/a	7.4	37
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009) Article DOI: 10.1021/jm900135r BindingDB Entry DOI: 10.7270/Q2B856G4
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