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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transglycosylase' and Ligand = 'BDBM50217262'   
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)		BDBM50217262
PNG
(CHEMBL1626891)
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(CCO)cc6)(CC4)CC5)ccc3-c2c1 |c:7|
Show InChI InChI=1S/C40H42N4O7/c1-23-34(37(40(50)51)42-36(23)35(24(2)46)39(42)49)27-6-10-30-31(20-27)29-9-5-26(19-32(29)38(30)48)21-43-12-15-44(16-13-43,17-14-43)22-33(47)41-28-7-3-25(4-8-28)11-18-45/h3-10,19-20,23-24,35-36,45-46H,11-18,21-22H2,1-2H3/p+2/t23-,24+,35+,36+,43?,44?/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.30E+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