Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-1' and Ligand = 'BDBM50068969'   

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))	BDBM50068969 ((S)-5-((R)-1-Carbamoyl-2-phenyl-ethylamino)-3-(2-{...) Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CN[C@H](Cc1ccccc1)C(N)=O)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C34H35N5O7/c1-2-28(39-16-8-13-25(34(39)46)37-32(44)24-15-14-22-11-6-7-12-23(22)18-24)33(45)38-26(19-30(41)42)29(40)20-36-27(31(35)43)17-21-9-4-3-5-10-21/h3-16,18,26-28,36H,2,17,19-20H2,1H3,(H2,35,43)(H,37,44)(H,38,45)(H,41,42)/t26-,27+,28?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ferring Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant IL-1 beta converting enzyme				Bioorg Med Chem Lett 8: 959-64 (1999) BindingDB Entry DOI: 10.7270/Q2ZP458C
					More data for this Ligand-Target Pair