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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transglycosylase' and Ligand = 'BDBM50217259'   
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)		BDBM50217259
PNG
(CHEMBL1626906)
Show SMILES C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C1=O)C(O)=O)c1ccc2C(=O)c3cc(C[N+]45CC[N+](Cc6ccccc6)(CC4)CC5)ccc3-c2c1 |c:7|
Show InChI InChI=1S/C37H38N3O5/c1-22-31(34(37(44)45)38-33(22)32(23(2)41)36(38)43)26-9-11-28-29(19-26)27-10-8-25(18-30(27)35(28)42)21-40-15-12-39(13-16-40,14-17-40)20-24-6-4-3-5-7-24/h3-11,18-19,22-23,32-33,41H,12-17,20-21H2,1-2H3/q+1/p+1/t22-,23+,32+,33+,39?,40?/m0/s1
PDB

UniProtKB/TrEMBL

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 3.25E+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