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BDBM50506038 CHEMBL4580482

SMILES: Cc1cc(Cl)cc2c1oc1cc(Cl)cc(Cl)c21

InChI Key: InChIKey=RPMARRQIRRJWEZ-UHFFFAOYSA-N

Data: 1 Kd  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50506038   
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 (Human))
BDBM50506038
PNG
(CHEMBL4580482)
Show SMILES Cc1cc(Cl)cc2c1oc1cc(Cl)cc(Cl)c21
Show InChI InChI=1S/C13H7Cl3O/c1-6-2-7(14)3-9-12-10(16)4-8(15)5-11(12)17-13(6)9/h2-5H,1H3
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.30n/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Binding affinity to AhR (unknown origin)


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111842
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM50506038
PNG
(CHEMBL4580482)
Show SMILES Cc1cc(Cl)cc2c1oc1cc(Cl)cc(Cl)c21
Show InChI InChI=1S/C13H7Cl3O/c1-6-2-7(14)3-9-12-10(16)4-8(15)5-11(12)17-13(6)9/h2-5H,1H3
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 4.90n/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Binding affinity to AhR (unknown origin) relative to TCDD


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111842
More data for this
Ligand-Target Pair