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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 = 'BDBM262700'   
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)
BDBM262700
PNG
(3-(2-amino-1,3-benzothiazol- 7-yl)-2-(1H-tetrazol-...)
Show SMILES Nc1nc2cccc(-c3ccc(c(c3-c3nnn[nH]3)S(N)(=O)=O)C(F)(F)F)c2s1
Show InChI InChI=1S/C15H10F3N7O2S2/c16-15(17,18)8-5-4-6(7-2-1-3-9-11(7)28-14(19)21-9)10(12(8)29(20,26)27)13-22-24-25-23-13/h1-5H,(H2,19,21)(H2,20,26,27)(H,22,23,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0500n/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