Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-1' and Ligand = 'BDBM50068967'   

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))	BDBM50068967 (3-(2-{3-[(Naphthalene-2-carbonyl)-amino]-2-oxo-2H-...) Show SMILES CCC(C(=O)NC(CC(O)=O)C(=O)CN1CCCCC1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C30H34N4O6/c1-2-25(29(39)32-24(18-27(36)37)26(35)19-33-14-6-3-7-15-33)34-16-8-11-23(30(34)40)31-28(38)22-13-12-20-9-4-5-10-21(20)17-22/h4-5,8-13,16-17,24-25H,2-3,6-7,14-15,18-19H2,1H3,(H,31,38)(H,32,39)(H,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	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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