Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-1' and Ligand = 'BDBM50189364'   

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))	BDBM50189364 (CHEMBL211512 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...) Show SMILES OC1OC(=O)C[C@@H]1NC(=O)C1(CCCCC1)C(=O)NNC(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C23H25N3O6/c27-18-13-17(20(29)32-18)24-21(30)23(10-4-1-5-11-23)22(31)26-25-19(28)16-9-8-14-6-2-3-7-15(14)12-16/h2-3,6-9,12,17,20,29H,1,4-5,10-11,13H2,(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	90	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
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