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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transglycosylase' and Ligand = 'BDBM50217291'   
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)		BDBM50217291
PNG
(CHEMBL1626970)
Show SMILES CNC(=O)C[N+]12CC[N+](Cc3ccc-4c(c3)C(=O)c3ccc(cc-43)C3=C(N4[C@@H]([C@@H]([C@@H](C)O)C4=O)[C@H]3C)C(O)=O)(CC1)CC2 |t:27|
Show InChI InChI=1S/C33H36N4O6/c1-18-27(30(33(42)43)35-29(18)28(19(2)38)32(35)41)21-5-7-23-24(15-21)22-6-4-20(14-25(22)31(23)40)16-36-8-11-37(12-9-36,13-10-36)17-26(39)34-3/h4-7,14-15,18-19,28-29,38H,8-13,16-17H2,1-3H3/p+2/t18-,19+,28+,29+,36?,37?/m0/s1
PDB

UniProtKB/TrEMBL

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 501n/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