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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 = 'BDBM50602335'   
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))
BDBM50602335
PNG
(CHEMBL5186309)
Show SMILES [H][C@@]12Cc3cc(Cl)c(Br)cc3C(=O)N1CCc1ccccc21 |r|
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.20n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00956
BindingDB Entry DOI: 10.7270/Q2HM5DH2
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Mus musculus (Mouse))
BDBM50602335
PNG
(CHEMBL5186309)
Show SMILES [H][C@@]12Cc3cc(Cl)c(Br)cc3C(=O)N1CCc1ccccc21 |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 71n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00956
BindingDB Entry DOI: 10.7270/Q2HM5DH2
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM50602335
PNG
(CHEMBL5186309)
Show SMILES [H][C@@]12Cc3cc(Cl)c(Br)cc3C(=O)N1CCc1ccccc21 |r|
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.700n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00956
BindingDB Entry DOI: 10.7270/Q2HM5DH2
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Mus musculus (Mouse))
BDBM50602335
PNG
(CHEMBL5186309)
Show SMILES [H][C@@]12Cc3cc(Cl)c(Br)cc3C(=O)N1CCc1ccccc21 |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.0580n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00956
BindingDB Entry DOI: 10.7270/Q2HM5DH2
More data for this
Ligand-Target Pair