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BDBM50351502 CHEMBL1823947

SMILES: COc1ccc(CNC(=O)C(NS(=O)(=O)c2ccc3nc(C)sc3c2)C(C)C)cc1

InChI Key: InChIKey=BIBHQRGCGJCTRJ-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50351502   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Autoinducer 1 sensor kinase/phosphatase luxN


(Vibrio harveyi)
BDBM50351502
PNG
(CHEMBL1823947)
Show SMILES COc1ccc(CNC(=O)C(NS(=O)(=O)c2ccc3nc(C)sc3c2)C(C)C)cc1
Show InChI InChI=1S/C21H25N3O4S2/c1-13(2)20(21(25)22-12-15-5-7-16(28-4)8-6-15)24-30(26,27)17-9-10-18-19(11-17)29-14(3)23-18/h5-11,13,20,24H,12H2,1-4H3,(H,22,25)
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.90E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of LuxN-dependent bioluminescence in Vibrio harveyi


J Med Chem 53: 7467-89 (2010)


Article DOI: 10.1021/jm901742e
BindingDB Entry DOI: 10.7270/Q2S75GPT
More data for this
Ligand-Target Pair