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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sensory histidine kinase DcuS' and Ligand = 'BDBM50497017'   
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
Sensory histidine kinase DcuS


(Staphylococcus aureus)
BDBM50497017
PNG
(CHEMBL3235596)
Show SMILES CCCCCCCCCCC\C(O)=C1\C(=O)N[C@@H](CCO)C1=O |r|
Show InChI InChI=1S/C18H31NO4/c1-2-3-4-5-6-7-8-9-10-11-15(21)16-17(22)14(12-13-20)19-18(16)23/h14,20-21H,2-13H2,1H3,(H,19,23)/b16-15-/t14-/m0/s1
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 2.30E+4n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Binding affinity to AgrC in Staphylococcus aureus assessed as disruption of membrane dipole potential by di-8-ANEPPS fluorescence assay


J Med Chem 57: 2813-9 (2014)


Article DOI: 10.1021/jm500215s
BindingDB Entry DOI: 10.7270/Q2XG9V4C
More data for this
Ligand-Target Pair