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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Metallo-beta-lactamase type 2' and Ligand = 'BDBM262706'   
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
Metallo-beta-lactamase type 2


(Klebsiella pneumoniae)
BDBM262706
PNG
(3-[4-(2-hydroxy-1H-imidazol- 4-yl)phenyl]-2-(1H-te...)
Show SMILES NS(=O)(=O)c1c(ccc(-c2ccc(cc2)-c2c[nH]c(O)[nH+]2)c1-c1nnn[nH]1)C(F)(F)F
Show InChI InChI=1S/C17H12F3N7O3S/c18-17(19,20)11-6-5-10(13(14(11)31(21,29)30)15-24-26-27-25-15)8-1-3-9(4-2-8)12-7-22-16(28)23-12/h1-7H,(H2,21,29,30)(H2,22,23,28)(H,24,25,26,27)/p+1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.439n/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)


BindingDB Entry DOI: 10.7270/Q2FN186K
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Serratia marcescens)
BDBM262706
PNG
(3-[4-(2-hydroxy-1H-imidazol- 4-yl)phenyl]-2-(1H-te...)
Show SMILES NS(=O)(=O)c1c(ccc(-c2ccc(cc2)-c2c[nH]c(O)[nH+]2)c1-c1nnn[nH]1)C(F)(F)F
Show InChI InChI=1S/C17H12F3N7O3S/c18-17(19,20)11-6-5-10(13(14(11)31(21,29)30)15-24-26-27-25-15)8-1-3-9(4-2-8)12-7-22-16(28)23-12/h1-7H,(H2,21,29,30)(H2,22,23,28)(H,24,25,26,27)/p+1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.534n/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)


BindingDB Entry DOI: 10.7270/Q2FN186K
More data for this
Ligand-Target Pair