Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Metallo-beta-lactamase type 2' and Ligand = 'BDBM50174228'   

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
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM50174228 (CHEMBL3809445) Show SMILES CCc1ccccc1NC(=O)CSc1nnc([nH]1)-c1ccccc1 Show InChI InChI=1S/C18H18N4OS/c1-2-13-8-6-7-11-15(13)19-16(23)12-24-18-20-17(21-22-18)14-9-4-3-5-10-14/h3-11H,2,12H2,1H3,(H,19,23)(H,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	990	n/a	n/a	n/a	n/a	n/a	n/a
Northwest University Curated by ChEMBL					Assay Description Mixed type inhibition of Klebsiella pneumoniae metallo-beta-lactamase NDM-1 expressed in Escherichia coli BL21(DE3) cells assessed as hydrolysis of c...				ACS Med Chem Lett 7: 413-7 (2016) Article DOI: 10.1021/acsmedchemlett.5b00495 BindingDB Entry DOI: 10.7270/Q2GQ70PT
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