Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-1' and Ligand = 'BDBM50175341'   

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))	BDBM50175341 ((4S,7S,11aS)-7-benzamido-N4-((3S)-2-hydroxy-5-oxo-...) Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CN(C[C@@H]2CCCC[C@H](NC(=O)c3ccccc3)C(=O)N12)C(=O)Nc1ccccc1 Show InChI InChI=1S/C29H33N5O7/c35-24-15-22(28(39)41-24)32-26(37)23-17-33(29(40)30-19-11-5-2-6-12-19)16-20-13-7-8-14-21(27(38)34(20)23)31-25(36)18-9-3-1-4-10-18/h1-6,9-12,20-23,28,39H,7-8,13-17H2,(H,30,40)(H,31,36)(H,32,37)/t20-,21-,22-,23-,28?/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	5	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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