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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'HTH-type transcriptional regulator EthR' AND taxid = 246196   
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
HTH-type transcriptional regulator EthR


(Mycobacterium smegmatis (strain ATCC 700084 / mc(2...)
BDBM50395186
PNG
(CHEMBL1612418)
Show SMILES Cc1ccc(cc1)-n1nc2ccc(NC(=O)COc3ccccc3C)cc2n1
Show InChI InChI=1S/C22H20N4O2/c1-15-7-10-18(11-8-15)26-24-19-12-9-17(13-20(19)25-26)23-22(27)14-28-21-6-4-3-5-16(21)2/h3-13H,14H2,1-2H3,(H,23,27)
KEGG

UniProtKB/SwissProt

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CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 2.90E+3n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition at EthR in Mycobacterium smegmatis mc2 155 assessed as reactivation of beta-glucuronidase activity measured over 48 hrs by Spectrophotomet...


J Med Chem 55: 6391-402 (2012)


Article DOI: 10.1021/jm300377g
BindingDB Entry DOI: 10.7270/Q2S183MF
More data for this
Ligand-Target Pair