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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Signal transduction protein TRAP' and Ligand = 'BDBM50260001'   
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
Signal transduction protein TRAP


(Staphylococcus aureus (strain Mu50 / ATCC 700699))
BDBM50260001
PNG
(CHEMBL4076813)
Show SMILES CC(=O)NC[C@]1(O)CO[C@H](CNC(=O)c2ccccc2Cl)[C@H]1O |r|
Show InChI InChI=1S/C15H19ClN2O5/c1-9(19)18-7-15(22)8-23-12(13(15)20)6-17-14(21)10-4-2-3-5-11(10)16/h2-5,12-13,20,22H,6-8H2,1H3,(H,17,21)(H,18,19)/t12-,13-,15+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.54E+4n/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibition of methicillin-resistant Staphylococcus aureus Mu50 TRAP assessed as potentiation of vancomycin-induced antibiofilm activity treated for 4...


ACS Med Chem Lett 8: 38-42 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00315
BindingDB Entry DOI: 10.7270/Q2RR21QM
More data for this
Ligand-Target Pair
Signal transduction protein TRAP


(Staphylococcus aureus (strain Mu50 / ATCC 700699))
BDBM50260001
PNG
(CHEMBL4076813)
Show SMILES CC(=O)NC[C@]1(O)CO[C@H](CNC(=O)c2ccccc2Cl)[C@H]1O |r|
Show InChI InChI=1S/C15H19ClN2O5/c1-9(19)18-7-15(22)8-23-12(13(15)20)6-17-14(21)10-4-2-3-5-11(10)16/h2-5,12-13,20,22H,6-8H2,1H3,(H,17,21)(H,18,19)/t12-,13-,15+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 3.55E+3n/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibition of methicillin-resistant Staphylococcus aureus Mu50 TRAP assessed as potentiation of vancomycin-induced antibiofilm activity cotreated wit...


ACS Med Chem Lett 8: 38-42 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00315
BindingDB Entry DOI: 10.7270/Q2RR21QM
More data for this
Ligand-Target Pair