Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-8' and Ligand = 'BDBM50199767'   

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))	BDBM50199767 (CHEMBL242510 | N-((S,Z)-1-(2-((3S)-2-hydroxy-5-oxo...) Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CC=CC[C@H](NC(=O)c2cc3ccccc3s2)C1=O |w:1.0,c:14| Show InChI InChI=1S/C21H21N3O6S/c25-17(22-14-10-18(26)30-21(14)29)11-24-8-4-3-6-13(20(24)28)23-19(27)16-9-12-5-1-2-7-15(12)31-16/h1-5,7,9,13-14,21,29H,6,8,10-11H2,(H,22,25)(H,23,27)/t13-,14-,21?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase 8				Bioorg Med Chem 15: 1311-22 (2007) Article DOI: 10.1016/j.bmc.2006.11.011 BindingDB Entry DOI: 10.7270/Q2GF0T5M
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