Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-1' and Ligand = 'BDBM50289414'   

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))	BDBM50289414 ((S)-3-(2-{6-Hexyl-3-[(naphthalene-1-carbonyl)-amin...) Show SMILES CCCCCCc1ccc(NC(=O)c2cccc3ccccc23)c(=O)n1CC(=O)N[C@@H](CC(O)=O)C(=O)COc1ccccc1 Show InChI InChI=1S/C35H37N3O7/c1-2-3-4-6-14-25-19-20-29(37-34(43)28-18-11-13-24-12-9-10-17-27(24)28)35(44)38(25)22-32(40)36-30(21-33(41)42)31(39)23-45-26-15-7-5-8-16-26/h5,7-13,15-20,30H,2-4,6,14,21-23H2,1H3,(H,36,40)(H,37,43)(H,41,42)/t30-/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	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