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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transglycosylase' and Ligand = 'BDBM50217260'   
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)		BDBM50217260
PNG
(CHEMBL1626883)
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)Nc6nccs6)(CC4)CC5)ccc3-c2c1 |c:7|
Show InChI InChI=1S/C35H35N5O6S/c1-19-28(31(34(45)46)38-30(19)29(20(2)41)33(38)44)22-4-6-24-25(16-22)23-5-3-21(15-26(23)32(24)43)17-39-8-11-40(12-9-39,13-10-39)18-27(42)37-35-36-7-14-47-35/h3-7,14-16,19-20,29-30,41H,8-13,17-18H2,1-2H3/p+2/t19-,20+,29+,30+,39?,40?/m0/s1
PDB

UniProtKB/TrEMBL

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 853n/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