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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transglycosylase' and Ligand = 'BDBM50217296'   
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)		BDBM50217296
PNG
(CHEMBL1626967)
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)Nc6ccccc6C(N)=O)(CC4)CC5)ccc3-c2c1 |c:7|
Show InChI InChI=1S/C39H39N5O7/c1-21-32(35(39(50)51)42-34(21)33(22(2)45)38(42)49)24-8-10-26-28(18-24)25-9-7-23(17-29(25)36(26)47)19-43-11-14-44(15-12-43,16-13-43)20-31(46)41-30-6-4-3-5-27(30)37(40)48/h3-10,17-18,21-22,33-34,45H,11-16,19-20H2,1-2H3,(H2-2,40,41,46,48,50,51)/p+2/t21-,22+,33+,34+,43?,44?/m0/s1
PDB

UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.02E+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