Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-1' and Ligand = 'BDBM50189365'   

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))	BDBM50189365 (CHEMBL212345 | N'-(2-(((3S)-2-hydroxy-5-oxo-tetrah...) Show SMILES OC1OC(=O)C[C@@H]1NC(=O)C1(Cc2ccccc2C1)C(=O)NNC(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C26H23N3O6/c30-21-12-20(23(32)35-21)27-24(33)26(13-18-7-3-4-8-19(18)14-26)25(34)29-28-22(31)17-10-9-15-5-1-2-6-16(15)11-17/h1-11,20,23,32H,12-14H2,(H,27,33)(H,28,31)(H,29,34)/t20-,23?/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	30	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