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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transglycosylase' and Ligand = 'BDBM50217275'   
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)		BDBM50217275
PNG
(CHEMBL1626955)
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+](C)(CC4)CC5)ccc3-c2c1 |c:6|
Show InChI InChI=1S/C30H32N3O5/c1-17(34)26-25-15-22(27(30(37)38)31(25)29(26)36)19-4-6-21-23(14-19)20-5-3-18(13-24(20)28(21)35)16-33-10-7-32(2,8-11-33)9-12-33/h3-6,13-14,17,25-26,34H,7-12,15-16H2,1-2H3/q+1/p+1/t17-,25-,26-,32?,33?/m1/s1
PDB

UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 306n/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