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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Aryl hydrocarbon receptor' and Ligand = 'BDBM50541262'   
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))
BDBM50541262
PNG
(6-Formylindolo[3,2-B]Carbazole | CHEMBL472031)
Show SMILES O=Cc1c2[nH]c3ccccc3c2cc2[nH]c3ccccc3c12
Show InChI InChI=1S/C19H12N2O/c22-10-14-18-12-6-2-4-8-16(12)20-17(18)9-13-11-5-1-3-7-15(11)21-19(13)14/h1-10,20-21H
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2n/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Agonist activity at AhR in human HepG2 cells assessed as induction of CYP1A1 expression after 24 hrs by ethoxyresorufin-O-deethylase assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.126959
BindingDB Entry DOI: 10.7270/Q2WQ07B9
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM50541262
PNG
(6-Formylindolo[3,2-B]Carbazole | CHEMBL472031)
Show SMILES O=Cc1c2[nH]c3ccccc3c2cc2[nH]c3ccccc3c12
Show InChI InChI=1S/C19H12N2O/c22-10-14-18-12-6-2-4-8-16(12)20-17(18)9-13-11-5-1-3-7-15(11)21-19(13)14/h1-10,20-21H
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
n/an/an/a 70n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM50541262
PNG
(6-Formylindolo[3,2-B]Carbazole | CHEMBL472031)
Show SMILES O=Cc1c2[nH]c3ccccc3c2cc2[nH]c3ccccc3c12
Show InChI InChI=1S/C19H12N2O/c22-10-14-18-12-6-2-4-8-16(12)20-17(18)9-13-11-5-1-3-7-15(11)21-19(13)14/h1-10,20-21H
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 9.06E+3n/an/an/an/a


TBA

Assay Description
Agonist activity at AhR in human HepG2 cells assessed as induction of AhR transcriptional activity incubated for 24 hrs by Quanti-Luc reagent based l...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112777
BindingDB Entry DOI: 10.7270/Q29P359J
More data for this
Ligand-Target Pair