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Target
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Compile Data Set for Download or QSAR
Found
4
hits Enz. Inhib. hit(s) with Target = 'Aryl hydrocarbon receptor' and Ligand = 'BDBM50506038'
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Aryl hydrocarbon receptor
(Homo sapiens (Human))
BDBM50506038
(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
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
49
n/a
n/a
n/a
n/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
BindingDB Entry DOI:
10.7270/Q2N019SX
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor
(Homo sapiens (Human))
BDBM50506038
(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
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
n/a
n/a
n/a
n/a
49
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor
(Homo sapiens (Human))
BDBM50506038
(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
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
n/a
n/a
n/a
0.130
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor
(Homo sapiens (Human))
BDBM50506038
(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
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
0.130
n/a
n/a
n/a
n/a
n/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
BindingDB Entry DOI:
10.7270/Q2N019SX
More data for this
Ligand-Target Pair
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