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BDBM50049064 CHEMBL3319498

SMILES: Clc1ccc2[nH]cc(Cc3[nH]c4ccccc4c3C=O)c2c1

InChI Key: InChIKey=IDDUUHHPSKLXPI-UHFFFAOYSA-N

Data: 1 EC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50049064   
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
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM50049064
PNG
(CHEMBL3319498)
Show SMILES Clc1ccc2[nH]cc(Cc3[nH]c4ccccc4c3C=O)c2c1
Show InChI InChI=1S/C18H13ClN2O/c19-12-5-6-16-14(8-12)11(9-20-16)7-18-15(10-22)13-3-1-2-4-17(13)21-18/h1-6,8-10,20-21H,7H2
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KEGG

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PC sid
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Similars

Article
PubMed
n/an/an/an/a 93n/an/an/an/a



University of Wisconsin

Curated by ChEMBL


Assay Description
Activation of AhR in human HepG2 cells assessed as fluorescence after 24 hrs incubation by EROD assay


Bioorg Med Chem Lett 24: 4023-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.009
BindingDB Entry DOI: 10.7270/Q2TX3H0Q
More data for this
Ligand-Target Pair