Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-1' and Ligand = 'BDBM50068971'   

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))	BDBM50068971 (5-(4-Carbamoyl-piperidin-1-yl)-3-(2-{3-[(naphthale...) Show SMILES CCC(C(=O)NC(CC(O)=O)C(=O)CN1CCC(CC1)C(N)=O)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C31H35N5O7/c1-2-25(30(42)34-24(17-27(38)39)26(37)18-35-14-11-20(12-15-35)28(32)40)36-13-5-8-23(31(36)43)33-29(41)22-10-9-19-6-3-4-7-21(19)16-22/h3-10,13,16,20,24-25H,2,11-12,14-15,17-18H2,1H3,(H2,32,40)(H,33,41)(H,34,42)(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	12	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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