Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'VIM-1 metallo-beta-lactamase' and Ligand = 'BDBM262879'   

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
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM262879 (4'-(2-amino-1,3-thiaozl-4-yl)-2- (1H-tetrazol-5-yl...) Show SMILES Nc1nc(cs1)-c1ccc(cc1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H12F3N7O2S2/c18-17(19,20)11-6-5-10(13(14(11)31(22,28)29)15-24-26-27-25-15)8-1-3-9(4-2-8)12-7-30-16(21)23-12/h1-7H,(H2,21,23)(H2,22,28,29)(H,24,25,26,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.690	n/a	n/a	n/a	n/a	7.0	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...				US Patent US9708336 (2017) BindingDB Entry DOI: 10.7270/Q2FN186K
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