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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transglycosylase' and Ligand = 'BDBM50217253'   
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)		BDBM50217253
PNG
(CHEMBL1626911)
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)Nc6ccc(CO)cc6)(CC4)CC5)ccc3-c2c1 |c:7|
Show InChI InChI=1S/C39H40N4O7/c1-22-33(36(39(49)50)41-35(22)34(23(2)45)38(41)48)26-6-10-29-30(18-26)28-9-5-25(17-31(28)37(29)47)19-42-11-14-43(15-12-42,16-13-42)20-32(46)40-27-7-3-24(21-44)4-8-27/h3-10,17-18,22-23,34-35,44-45H,11-16,19-21H2,1-2H3/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 2.66E+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