Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-1' and Ligand = 'BDBM50289393'   

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))	BDBM50289393 ((S)-3-(2-{3-[(Naphthalene-1-carbonyl)-amino]-2-oxo...) Show SMILES CCCC(C(=O)N[C@@H](CC(O)=O)C(=O)COc1ccccc1)n1cccc(NC(=O)c2cccc3ccccc23)c1=O Show InChI InChI=1S/C32H31N3O7/c1-2-10-27(31(40)34-26(19-29(37)38)28(36)20-42-22-13-4-3-5-14-22)35-18-9-17-25(32(35)41)33-30(39)24-16-8-12-21-11-6-7-15-23(21)24/h3-9,11-18,26-27H,2,10,19-20H2,1H3,(H,33,39)(H,34,40)(H,37,38)/t26-,27?/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	1.80	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