Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-1' and Ligand = 'BDBM50325234'   

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))	BDBM50325234 (CHEMBL1223107) Show SMILES OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)CON1C(=O)C2C3OC(C=C3)C2C1=O |r,c:28,THB:30:29:27.28:25| Show InChI InChI=1S/C21H20N2O9/c24-13(10-31-23-19(27)17-14-6-7-15(32-14)18(17)20(23)28)12(8-16(25)26)22-21(29)30-9-11-4-2-1-3-5-11/h1-7,12,14-15,17-18H,8-10H2,(H,22,29)(H,25,26)/t12-,14?,15?,17?,18?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.50E+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