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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aryl hydrocarbon receptor' and Ligand = 'BDBM75447'   
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
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM75447
PNG
(MLS000031358 | N-(2-ethoxyphenyl)-6-quinoxalinecar...)
Show SMILES CCOc1ccccc1NC(=O)c1ccc2nccnc2c1
Show InChI InChI=1S/C17H15N3O2/c1-2-22-16-6-4-3-5-14(16)20-17(21)12-7-8-13-15(11-12)19-10-9-18-13/h3-11H,2H2,1H3,(H,20,21)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 2.21E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair