Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-1' and Ligand = 'BDBM50175328'   

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))	BDBM50175328 ((4S,7S,11aS)-benzyl 4-(((3S)-2-hydroxy-5-oxo-tetra...) Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CN(C[C@@H]2C\C=C/C[C@H](NC(=O)c3ccccc3)C(=O)N12)C(=O)OCc1ccccc1 |c:17| Show InChI InChI=1S/C30H32N4O8/c35-25-15-23(29(39)42-25)32-27(37)24-17-33(30(40)41-18-19-9-3-1-4-10-19)16-21-13-7-8-14-22(28(38)34(21)24)31-26(36)20-11-5-2-6-12-20/h1-12,21-24,29,39H,13-18H2,(H,31,36)(H,32,37)/b8-7-/t21-,22-,23-,24-,29?/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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