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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 = 'BDBM50300689'   
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 R6)		BDBM50300689
PNG
(6-chloro-2-(3-(4-chloro-2-methylphenyl)ureido)-3-(...)
Show SMILES Cc1cc(Cl)ccc1NC(=O)Nc1c(Oc2ccc(Cl)cc2)ccc(Cl)c1S(O)(=O)=O
Show InChI InChI=1S/C20H15Cl3N2O5S/c1-11-10-13(22)4-8-16(11)24-20(26)25-18-17(30-14-5-2-12(21)3-6-14)9-7-15(23)19(18)31(27,28)29/h2-10H,1H3,(H2,24,25,26)(H,27,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.36E+5n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of penicillin-sensitive Streptococcus pneumoniae R6 PBP2X preincubated for 1 hr before addition of substrate (R)-[2-(benzoylamino)propiony...

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