Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-1' and Ligand = 'BDBM50068973'   

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))	BDBM50068973 (5-Hexanoylamino-3-(2-{3-[(naphthalene-2-carbonyl)-...) Show SMILES CCCCCC(=O)NCC(=O)C(CC(O)=O)NC(=O)C(CC)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C31H36N4O7/c1-3-5-6-13-27(37)32-19-26(36)24(18-28(38)39)34-30(41)25(4-2)35-16-9-12-23(31(35)42)33-29(40)22-15-14-20-10-7-8-11-21(20)17-22/h7-12,14-17,24-25H,3-6,13,18-19H2,1-2H3,(H,32,37)(H,33,40)(H,34,41)(H,38,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ferring Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant IL-1 beta converting enzyme				Bioorg Med Chem Lett 8: 959-64 (1999) BindingDB Entry DOI: 10.7270/Q2ZP458C
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