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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transglycosylase' and Ligand = 'BDBM50217278'   
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)		BDBM50217278
PNG
(CHEMBL1626946)
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)N(C)C)(CC4)CC5)ccc3-c2c1 |c:7|
Show InChI InChI=1S/C34H39N4O6/c1-19-28(31(34(43)44)36-30(19)29(20(2)39)33(36)42)22-6-8-24-25(16-22)23-7-5-21(15-26(23)32(24)41)17-37-9-12-38(13-10-37,14-11-37)18-27(40)35(3)4/h5-8,15-16,19-20,29-30,39H,9-14,17-18H2,1-4H3/q+1/p+1/t19-,20+,29+,30+,37?,38?/m0/s1
PDB

UniProtKB/TrEMBL

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 580n/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