BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-lactamase NDM-1' and Ligand = 'BDBM262842'   
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)
BDBM262842
PNG
(3-[4-(azepan-4- ylamino)cyclohexyl]-2- (1H-tetrazo...)
Show SMILES NS(=O)(=O)c1c(ccc([C@H]2CC[C@@H](CC2)NC2CCCNCC2)c1-c1nnn[nH]1)C(F)(F)F
Show InChI InChI=1S/C20H28F3N7O2S/c21-20(22,23)16-8-7-15(17(18(16)33(24,31)32)19-27-29-30-28-19)12-3-5-14(6-4-12)26-13-2-1-10-25-11-9-13/h7-8,12-14,25-26H,1-6,9-11H2,(H2,24,31,32)(H,27,28,29,30)/t12-,13?,14-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 13.6n/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