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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transglycosylase' and Ligand = 'BDBM50217252'   
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)		BDBM50217252
PNG
(CHEMBL1626949)
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+](CC(=O)c6ccccc6)(CC4)CC5)ccc3-c2c1 |c:7|
Show InChI InChI=1S/C38H38N3O6/c1-22-32(35(38(46)47)39-34(22)33(23(2)42)37(39)45)26-9-11-28-29(19-26)27-10-8-24(18-30(27)36(28)44)20-40-12-15-41(16-13-40,17-14-40)21-31(43)25-6-4-3-5-7-25/h3-11,18-19,22-23,33-34,42H,12-17,20-21H2,1-2H3/q+1/p+1/t22-,23+,33+,34+,40?,41?/m0/s1
PDB

UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 879n/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