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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 = 'BDBM50259989'   
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))
BDBM50259989
PNG
(CHEMBL4087861)
Show SMILES O[C@@H]1[C@@H](CNC(=O)c2ccncc2Cl)OC[C@@]1(O)CNC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C19H20ClN3O5/c20-14-8-21-7-6-13(14)18(26)22-9-15-16(24)19(27,11-28-15)10-23-17(25)12-4-2-1-3-5-12/h1-8,15-16,24,27H,9-11H2,(H,22,26)(H,23,25)/t15-,16-,19+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.32E+5n/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
Signal transduction protein TRAP


(Staphylococcus aureus (strain Mu50 / ATCC 700699))
BDBM50259989
PNG
(CHEMBL4087861)
Show SMILES O[C@@H]1[C@@H](CNC(=O)c2ccncc2Cl)OC[C@@]1(O)CNC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C19H20ClN3O5/c20-14-8-21-7-6-13(14)18(26)22-9-15-16(24)19(27,11-28-15)10-23-17(25)12-4-2-1-3-5-12/h1-8,15-16,24,27H,9-11H2,(H,22,26)(H,23,25)/t15-,16-,19+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>2.50E+5n/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