Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'VIM-1 metallo-beta-lactamase' and Ligand = 'BDBM262926'   

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)	BDBM262926 (3-[4-(4-piperidyl)-1-piperidyl]- 2-(1H-tetrazol-5-...) Show SMILES NS(=O)(=O)c1c(ccc(N2CCC(CC2)C2CCNCC2)c1-c1nnn[nH]1)C(F)(F)F Show InChI InChI=1S/C18H24F3N7O2S/c19-18(20,21)13-1-2-14(15(16(13)31(22,29)30)17-24-26-27-25-17)28-9-5-12(6-10-28)11-3-7-23-8-4-11/h1-2,11-12,23H,3-10H2,(H2,22,29,30)(H,24,25,26,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.110	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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