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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Penicillin-binding protein 1B' and Ligand = 'BDBM50458509'   
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
Penicillin-binding protein 1B


(Acinetobacter baumannii)		BDBM50458509
PNG
(CHEMBL4208140)
Show SMILES CCCCCCCCCCCCn1cc(CO[C@H](CP(O)(=O)OCCNCc2ccc(cc2)-c2ccccc2)C(=O)OCC)nn1 |r|
Show InChI InChI=1S/C35H53N4O6P/c1-3-5-6-7-8-9-10-11-12-16-24-39-27-33(37-38-39)28-44-34(35(40)43-4-2)29-46(41,42)45-25-23-36-26-30-19-21-32(22-20-30)31-17-14-13-15-18-31/h13-15,17-22,27,34,36H,3-12,16,23-26,28-29H2,1-2H3,(H,41,42)/t34-/m1/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.57E+5n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Acinetobacter baumannii PBP1b transglycosylase activity using NBD-lipid 2 as substrate after 2 hrs by muramidase enzyme coupled HPLC an...

Eur J Med Chem 150: 729-741 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.034
BindingDB Entry DOI: 10.7270/Q27M0BJ9
More data for this
Ligand-Target Pair