Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-1' and Ligand = 'BDBM50289394'   

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))	BDBM50289394 ((S)-3-(2-{2-Butyl-5-[(naphthalene-1-carbonyl)-amin...) Show SMILES CCCCc1ncc(NC(=O)c2cccc3ccccc23)c(=O)n1CC(=O)N[C@@H](CC(O)=O)C(=O)COc1ccccc1 Show InChI InChI=1S/C32H32N4O7/c1-2-3-16-28-33-18-26(35-31(41)24-15-9-11-21-10-7-8-14-23(21)24)32(42)36(28)19-29(38)34-25(17-30(39)40)27(37)20-43-22-12-5-4-6-13-22/h4-15,18,25H,2-3,16-17,19-20H2,1H3,(H,34,38)(H,35,41)(H,39,40)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversible inhibition of recombinant human IL-1 beta converting enzyme.				Bioorg Med Chem Lett 7: 1337-1342 (1997) Article DOI: 10.1016/S0960-894X(97)00220-5 BindingDB Entry DOI: 10.7270/Q2DN452C
					More data for this Ligand-Target Pair