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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-lactamase NDM-1' and Ligand = 'BDBM262859'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262859
PNG
(3-imidazo[1,2-a]pyrimidin-3-yl- 2-(1H-tetrazol-5-y...)
Show SMILES NS(=O)(=O)c1c(ccc(-c2cnc3ncccn23)c1-c1nnn[nH]1)C(F)(F)F
Show InChI InChI=1S/C14H9F3N8O2S/c15-14(16,17)8-3-2-7(9-6-20-13-19-4-1-5-25(9)13)10(11(8)28(18,26)27)12-21-23-24-22-12/h1-6H,(H2,18,26,27)(H,21,22,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 58.7n/an/an/an/a7.0n/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)

More data for this
Ligand-Target Pair