Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-1' and Ligand = 'BDBM50289402'   

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))	BDBM50289402 ((S)-3-(2-{3-[(Naphthalene-2-carbonyl)-amino]-2-oxo...) Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)COc1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C31H29N3O7/c1-2-26(30(39)33-25(18-28(36)37)27(35)19-41-23-11-4-3-5-12-23)34-16-8-13-24(31(34)40)32-29(38)22-15-14-20-9-6-7-10-21(20)17-22/h3-17,25-26H,2,18-19H2,1H3,(H,32,38)(H,33,39)(H,36,37)/t25-,26?/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	1.40	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