Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-1' and Ligand = 'BDBM50072048'   

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)	BDBM50072048 (CHEMBL92017 | [(3R,6S,8aS)-3-((S)-2-Hydroxy-5-oxo-...) Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CS[C@H]2CC[C@H](NC(=O)OCc3ccccc3)C(=O)N12 Show InChI InChI=1S/C20H23N3O7S/c24-16-8-13(19(27)30-16)21-17(25)14-10-31-15-7-6-12(18(26)23(14)15)22-20(28)29-9-11-4-2-1-3-5-11/h1-5,12-15,19,27H,6-10H2,(H,21,25)(H,22,28)/t12-,13-,14-,15-,19?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.80E+3	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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