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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transglycosylase' and Ligand = 'BDBM50217282'   
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)		BDBM50217282
PNG
(CHEMBL1626947)
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(=O)Nc6ccccc6)(CC4)CC5)ccc3-c2c1 |c:6|
Show InChI InChI=1S/C37H36N4O6/c1-22(42)33-31-19-28(34(37(46)47)39(31)36(33)45)24-8-10-27-29(18-24)26-9-7-23(17-30(26)35(27)44)20-40-11-14-41(15-12-40,16-13-40)21-32(43)38-25-5-3-2-4-6-25/h2-10,17-18,22,31,33,42H,11-16,19-21H2,1H3/p+2/t22-,31-,33-,40?,41?/m1/s1
PDB

UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 467n/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