Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-1' and Ligand = 'BDBM50175348'   

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))	BDBM50175348 ((4S,7S,11aS)-7-(2-naphthamido)-N-((3S)-2-hydroxy-5...) Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CN(C[C@@H]2CCCC[C@H](NC(=O)c3ccc4ccccc4c3)C(=O)N12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C32H34N4O8S/c37-28-17-26(32(41)44-28)34-30(39)27-19-35(45(42,43)24-11-2-1-3-12-24)18-23-10-6-7-13-25(31(40)36(23)27)33-29(38)22-15-14-20-8-4-5-9-21(20)16-22/h1-5,8-9,11-12,14-16,23,25-27,32,41H,6-7,10,13,17-19H2,(H,33,38)(H,34,39)/t23-,25-,26-,27-,32?/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	1	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Caspase 1				Bioorg Med Chem Lett 15: 5434-8 (2005) Article DOI: 10.1016/j.bmcl.2005.08.109 BindingDB Entry DOI: 10.7270/Q21G0KTJ
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