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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 = 'BDBM50406354'   
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)		BDBM50406354
PNG
(CHEMBL4169312)
Show SMILES CCCCCCC(=O)N[C@@H]1CNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC1=O |r|
Show InChI InChI=1S/C34H54N6O6/c1-7-8-9-13-16-29(41)37-28-20-35-31(43)25(17-21(2)3)38-30(42)23(6)36-32(44)26(18-22(4)5)39-33(45)27(40-34(28)46)19-24-14-11-10-12-15-24/h10-12,14-15,21-23,25-28H,7-9,13,16-20H2,1-6H3,(H,35,43)(H,36,44)(H,37,41)(H,38,42)(H,39,45)(H,40,46)/t23-,25-,26-,27-,28-/m1/s1
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 622n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of AIP-stimulated quorum sensing system AgrC activation in Staphylococcus aureus RN10829 harboring P3:blaZ fusion assessed as reduction in...

Eur J Med Chem 152: 370-376 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.053
BindingDB Entry DOI: 10.7270/Q2JM2D66
More data for this
Ligand-Target Pair