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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transglycosylase' and Ligand = 'BDBM50217286'   
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
Transglycosylase


(Staphylococcus aureus)		BDBM50217286
PNG
(CHEMBL1626912)
Show SMILES COc1cccc(NC(=O)C[N+]23CC[N+](Cc4ccc-5c(c4)C(=O)c4ccc(cc-54)C4=C(N5[C@@H]([C@@H]([C@@H](C)O)C5=O)[C@H]4C)C(O)=O)(CC2)CC3)c1 |t:33|
Show InChI InChI=1S/C39H40N4O7/c1-22-33(36(39(48)49)41-35(22)34(23(2)44)38(41)47)25-8-10-29-30(18-25)28-9-7-24(17-31(28)37(29)46)20-42-11-14-43(15-12-42,16-13-42)21-32(45)40-26-5-4-6-27(19-26)50-3/h4-10,17-19,22-23,34-35,44H,11-16,20-21H2,1-3H3/p+2/t22-,23+,34+,35+,42?,43?/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against PBP2a receptor by competition analysis with [3H]benzylpenicillin using cell membrane fractions from the MRSA COL strain.

Bioorg Med Chem Lett 9: 3225-30 (1999)


BindingDB Entry DOI: 10.7270/Q2KW5J62
More data for this
Ligand-Target Pair