Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-1' and Ligand = 'BDBM50072052'   

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 (Mus musculus)	BDBM50072052 (CHEMBL96496 | {(S)-1-[((S)-2-Hydroxy-5-oxo-tetrahy...) Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CCC[C@H](NC(=O)OCc2ccccc2)C1=O Show InChI InChI=1S/C19H23N3O7/c23-15(20-14-9-16(24)29-18(14)26)10-22-8-4-7-13(17(22)25)21-19(27)28-11-12-5-2-1-3-6-12/h1-3,5-6,13-14,18,26H,4,7-11H2,(H,20,23)(H,21,27)/t13-,14-,18?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against Caspase-1 using Ac-TyrValAlaAsp-amc as substrate				Bioorg Med Chem Lett 8: 2757-62 (1999) BindingDB Entry DOI: 10.7270/Q2KP8198
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