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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transglycosylase' and Ligand = 'BDBM50217288'   
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)		BDBM50217288
PNG
(CHEMBL1626948)
Show SMILES C[C@@H](O)[C@@H]1[C@H]2CC(=C(N2C1=O)C(O)=O)c1ccc2C(=O)c3cc(C[N+]45CC[N+](CC#N)(CC4)CC5)ccc3-c2c1 |c:6|
Show InChI InChI=1S/C31H31N4O5/c1-18(36)27-26-16-23(28(31(39)40)33(26)30(27)38)20-3-5-22-24(15-20)21-4-2-19(14-25(21)29(22)37)17-35-11-8-34(7-6-32,9-12-35)10-13-35/h2-5,14-15,18,26-27,36H,7-13,16-17H2,1H3/q+1/p+1/t18-,26-,27-,34?,35?/m1/s1
PDB

UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 474n/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