Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-1' and Ligand = 'BDBM50281183'   

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))	BDBM50281183 ((S)-3-{(S)-2-[(S)-3-Methyl-2-(3-phenyl-propionylam...) Show SMILES CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)CCc1ccccc1 Show InChI InChI=1S/C29H37N3O6/c1-19(2)27(32-25(34)17-15-22-12-8-5-9-13-22)29(38)30-20(3)28(37)31-23(18-26(35)36)24(33)16-14-21-10-6-4-7-11-21/h4-13,19-20,23,27H,14-18H2,1-3H3,(H,30,38)(H,31,37)(H,32,34)(H,35,36)/t20-,23-,27-/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	610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was tested for its inhibitory activity against IL-1 beta converting enzyme				Bioorg Med Chem Lett 3: 2689-2692 (1993) Article DOI: 10.1016/S0960-894X(01)80743-5 BindingDB Entry DOI: 10.7270/Q2BV7GJZ
					More data for this Ligand-Target Pair