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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transglycosylase' and Ligand = 'BDBM50217264'   
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)		BDBM50217264
PNG
(CHEMBL1626922)
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)Nc6cccnc6)(CC4)CC5)ccc3-c2c1 |c:7|
Show InChI InChI=1S/C37H37N5O6/c1-21-31(34(37(47)48)40-33(21)32(22(2)43)36(40)46)24-6-8-27-28(17-24)26-7-5-23(16-29(26)35(27)45)19-41-10-13-42(14-11-41,15-12-41)20-30(44)39-25-4-3-9-38-18-25/h3-9,16-18,21-22,32-33,43H,10-15,19-20H2,1-2H3/p+2/t21-,22+,32+,33+,41?,42?/m0/s1
PDB

UniProtKB/TrEMBL

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 610n/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