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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transglycosylase' and Ligand = 'BDBM50217302'   
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)		BDBM50217302
PNG
(CHEMBL1626953)
Show SMILES COc1ccc(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)cc1 |t:32|
Show InChI InChI=1S/C39H40N4O7/c1-22-33(36(39(48)49)41-35(22)34(23(2)44)38(41)47)25-5-11-29-30(19-25)28-10-4-24(18-31(28)37(29)46)20-42-12-15-43(16-13-42,17-14-42)21-32(45)40-26-6-8-27(50-3)9-7-26/h4-11,18-19,22-23,34-35,44H,12-17,20-21H2,1-3H3/p+2/t22-,23+,34+,35+,42?,43?/m0/s1
PDB

UniProtKB/TrEMBL

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.18E+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