Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-1' and Ligand = 'BDBM50325243'   

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))	BDBM50325243 ((S)-3-(benzyloxycarbonylamino)-4-oxo-5-(2-phenylac...) Show SMILES OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)COC(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C21H21NO7/c23-18(14-28-20(26)11-15-7-3-1-4-8-15)17(12-19(24)25)22-21(27)29-13-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,22,27)(H,24,25)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of ICE				Bioorg Med Chem Lett 20: 5089-94 (2010) Article DOI: 10.1016/j.bmcl.2010.07.031 BindingDB Entry DOI: 10.7270/Q2SQ90K1
					More data for this Ligand-Target Pair