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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Penicillin-binding protein 2x' and Ligand = 'BDBM50300688'   
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 2x


(Streptococcus pneumoniae)		BDBM50300688
PNG
(6-chloro-3-(3,4-dichlorophenoxy)-2-(3-(3-(trifluor...)
Show SMILES OS(=O)(=O)c1c(Cl)ccc(Oc2ccc(Cl)c(Cl)c2)c1NC(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C20H12Cl3F3N2O5S/c21-13-5-4-12(9-15(13)23)33-16-7-6-14(22)18(34(30,31)32)17(16)28-19(29)27-11-3-1-2-10(8-11)20(24,25)26/h1-9H,(H2,27,28,29)(H,30,31,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.20E+4n/an/an/an/an/an/a



Institut de Biologie Structurale Jean-Pierre Ebel (CEA/CNRS/UJF)

Curated by ChEMBL


Assay Description
Inhibition of penicillin-resistant Streptococcus pneumoniae 5204 PBP2X preincubated for 4 hrs before addition of substrate (R)-[2-(benzoylamino)propi...

J Med Chem 52: 5926-36 (2009)


Article DOI: 10.1021/jm900625q
BindingDB Entry DOI: 10.7270/Q2NV9K68
More data for this
Ligand-Target Pair