Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-1' and Ligand = 'BDBM50284740'   

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-1 (Homo sapiens (Human))	BDBM50284740 (3-Allyloxycarbonylamino-5-(3-hydroxymethyl-naphtha...) Show SMILES OCc1cc2ccccc2cc1OCC(=O)C(CC(O)=O)NC(=O)OCC=C Show InChI InChI=1S/C20H21NO7/c1-2-7-27-20(26)21-16(10-19(24)25)17(23)12-28-18-9-14-6-4-3-5-13(14)8-15(18)11-22/h2-6,8-9,16,22H,1,7,10-12H2,(H,21,26)(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of IL-1 beta converting enzyme (ICE) in human blood monocytes expressed as Kon				Bioorg Med Chem Lett 5: 1409-1414 (1995) Article DOI: 10.1016/0960-894X(95)00232-I BindingDB Entry DOI: 10.7270/Q2319VTD
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