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BDBM50458507 CHEMBL4203272

SMILES: CCCCCCCCCCCCn1cc(CO[C@H](CP(O)(=O)OCCCN(Cc2ccc(cc2)-c2ccccc2)Cc2ccc(cc2)-c2ccccc2)C(=O)OCC)nn1

InChI Key: InChIKey=VWWYZXXLJLSHQI-QSCHNALKSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50458507   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Penicillin-binding protein 1B


(Acinetobacter baumannii)		BDBM50458507
PNG
(CHEMBL4203272)
Show SMILES CCCCCCCCCCCCn1cc(CO[C@H](CP(O)(=O)OCCCN(Cc2ccc(cc2)-c2ccccc2)Cc2ccc(cc2)-c2ccccc2)C(=O)OCC)nn1 |r|
Show InChI InChI=1S/C49H65N4O6P/c1-3-5-6-7-8-9-10-11-12-19-34-53-38-47(50-51-53)39-58-48(49(54)57-4-2)40-60(55,56)59-35-20-33-52(36-41-25-29-45(30-26-41)43-21-15-13-16-22-43)37-42-27-31-46(32-28-42)44-23-17-14-18-24-44/h13-18,21-32,38,48H,3-12,19-20,33-37,39-40H2,1-2H3,(H,55,56)/t48-/m1/s1
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.70E+4n/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