Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-1' and Ligand = 'BDBM50189358'   

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))	BDBM50189358 (2-(carbamoyl)-N'-(3-methylbenzoyl)-2,3-dihydro-1H-...) Show SMILES Cc1cccc(c1)C(=O)NNC(=O)C1(Cc2ccccc2C1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C23H23N3O6/c1-13-5-4-8-14(9-13)19(28)25-26-22(31)23(11-15-6-2-3-7-16(15)12-23)21(30)24-17-10-18(27)32-20(17)29/h2-9,17,20,29H,10-12H2,1H3,(H,24,30)(H,25,28)(H,26,31)/t17-,20?/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 PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of ICE				Bioorg Med Chem Lett 16: 4233-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.076 BindingDB Entry DOI: 10.7270/Q20001RW
					More data for this Ligand-Target Pair