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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50217300   
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)
BDBM50217300
PNG
(CHEMBL1626960)
Show SMILES CCC[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:25|
Show InChI InChI=1S/C33H38N3O5/c1-4-9-35-10-13-36(14-11-35,15-12-35)18-21-5-7-23-25-17-22(6-8-24(25)31(38)26(23)16-21)27-19(2)29-28(20(3)37)32(39)34(29)30(27)33(40)41/h5-8,16-17,19-20,28-29,37H,4,9-15,18H2,1-3H3/q+1/p+1/t19-,20+,28+,29+,35?,36?/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 906n/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