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Compile Data Set for Download or QSAR

Found 31 hits with Last Name = 'goya-jorge' and Initial = 'e'   
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))
BDBM50525572
PNG
(CH-223191 | CHEMBL1743245)
Show SMILES Cc1ccccc1\N=N\c1ccc(NC(=O)c2ccnn2C)c(C)c1
Show InChI InChI=1S/C19H19N5O/c1-13-6-4-5-7-17(13)23-22-15-8-9-16(14(2)12-15)21-19(25)18-10-11-20-24(18)3/h4-12H,1-3H3,(H,21,25)/b23-22+
PDB

KEGG

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GoogleScholar
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.43E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at AhR in human HepG2 cells assessed as inhibition of FICZ-induced AhR transcriptional activity incubated for 24 hrs by Quanti-Lu...


Citation and Details

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


(Homo sapiens (Human))
BDBM50556460
PNG
(CHEMBL4752532)
Show SMILES Oc1ccc(cc1)C(c1ccc(Cl)cc1)c1ccccn1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a


TBA

Assay Description
Agonist activity at AhR in human HepG2 cells co-transfected with pSELECT-zeo-Lucia and CYP1A1 assessed as induction of receptor transactivation incub...


Citation and Details

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


(Homo sapiens (Human))
BDBM50556461
PNG
(CHEMBL4778652)
Show SMILES Oc1ccc(cc1)C(c1ccc(F)cc1)c1ccccn1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>4.00E+5n/an/an/an/a


TBA

Assay Description
Agonist activity at AhR in human HepG2 cells co-transfected with pSELECT-zeo-Lucia and CYP1A1 assessed as induction of receptor transactivation incub...


Citation and Details

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


(Homo sapiens (Human))
BDBM50556462
PNG
(CHEMBL4740412)
Show SMILES CC(=O)Oc1ccc(cc1)C(c1ccc(C)cc1)c1ccccn1
PDB

KEGG

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UniChem
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n/an/an/an/a>1.00E+5n/an/an/an/a


TBA

Assay Description
Agonist activity at AhR in human HepG2 cells co-transfected with pSELECT-zeo-Lucia and CYP1A1 assessed as induction of receptor transactivation incub...


Citation and Details

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


(Homo sapiens (Human))
BDBM50556463
PNG
(CHEMBL4743405)
Show SMILES CC(=O)Oc1ccc(cc1)C(c1ccc(Br)cc1)c1ccccn1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+6n/an/an/an/a


TBA

Assay Description
Agonist activity at AhR in human HepG2 cells co-transfected with pSELECT-zeo-Lucia and CYP1A1 assessed as induction of receptor transactivation incub...


Citation and Details

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


(Homo sapiens (Human))
BDBM50556464
PNG
(CHEMBL4789305)
Show SMILES CC(=O)Oc1ccc(cc1)C(c1ccc(Cl)cc1)c1ccccn1
PDB

KEGG

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PC sid
UniChem
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n/an/an/an/a>1.00E+6n/an/an/an/a


TBA

Assay Description
Agonist activity at AhR in human HepG2 cells co-transfected with pSELECT-zeo-Lucia and CYP1A1 assessed as induction of receptor transactivation incub...


Citation and Details

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


(Homo sapiens (Human))
BDBM50556465
PNG
(CHEMBL4754940)
Show SMILES CC(=O)Oc1ccc(cc1)C(c1ccc(F)cc1)c1ccccn1
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a


TBA

Assay Description
Agonist activity at AhR in human HepG2 cells co-transfected with pSELECT-zeo-Lucia and CYP1A1 assessed as induction of receptor transactivation incub...


Citation and Details

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


(Homo sapiens (Human))
BDBM50556466
PNG
(CHEMBL4747237)
Show SMILES CC(=O)Oc1ccc(cc1)C(c1ccc(C)cc1)c1cccc[n+]1[O-]
PDB

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UniChem
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n/an/an/an/a>2.00E+5n/an/an/an/a


TBA

Assay Description
Agonist activity at AhR in human HepG2 cells co-transfected with pSELECT-zeo-Lucia and CYP1A1 assessed as induction of receptor transactivation incub...


Citation and Details

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


(Homo sapiens (Human))
BDBM50556467
PNG
(CHEMBL4784860)
Show SMILES CC(=O)Oc1ccc(cc1)C(c1ccc(Br)cc1)c1cccc[n+]1[O-]
PDB

KEGG

UniProtKB/SwissProt

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PC cid
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UniChem
Article
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n/an/an/an/a>1.00E+5n/an/an/an/a


TBA

Assay Description
Agonist activity at AhR in human HepG2 cells co-transfected with pSELECT-zeo-Lucia and CYP1A1 assessed as induction of receptor transactivation incub...


Citation and Details

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


(Homo sapiens (Human))
BDBM50556468
PNG
(CHEMBL4743891)
Show SMILES CC(=O)Oc1ccc(cc1)C(c1ccc(Cl)cc1)c1cccc[n+]1[O-]
PDB

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UniChem
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n/an/an/an/a>2.00E+5n/an/an/an/a


TBA

Assay Description
Agonist activity at AhR in human HepG2 cells co-transfected with pSELECT-zeo-Lucia and CYP1A1 assessed as induction of receptor transactivation incub...


Citation and Details

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


(Homo sapiens (Human))
BDBM50556469
PNG
(CHEMBL4756557)
Show SMILES CC(=O)Oc1ccc(cc1)C(c1ccc(F)cc1)c1cccc[n+]1[O-]
PDB

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PC sid
UniChem
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n/an/an/an/a>1.00E+6n/an/an/an/a


TBA

Assay Description
Agonist activity at AhR in human HepG2 cells co-transfected with pSELECT-zeo-Lucia and CYP1A1 assessed as induction of receptor transactivation incub...


Citation and Details

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


(Homo sapiens (Human))
BDBM50556470
PNG
(CHEMBL4760281)
Show SMILES CC(C)(C)c1ccc(cc1)C(c1ccccn1)c1ccccc1O
PDB

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UniChem
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n/an/an/an/a>1.00E+6n/an/an/an/a


TBA

Assay Description
Agonist activity at AhR in human HepG2 cells co-transfected with pSELECT-zeo-Lucia and CYP1A1 assessed as induction of receptor transactivation incub...


Citation and Details

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


(Homo sapiens (Human))
BDBM50556471
PNG
(CHEMBL4743041)
Show SMILES Cc1ccc(cc1)C(c1ccccn1)c1ccccc1O
PDB

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PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a


TBA

Assay Description
Agonist activity at AhR in human HepG2 cells co-transfected with pSELECT-zeo-Lucia and CYP1A1 assessed as induction of receptor transactivation incub...


Citation and Details

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


(Homo sapiens (Human))
BDBM50556472
PNG
(CHEMBL4749793)
Show SMILES Oc1ccccc1C(c1ccc(Br)cc1)c1ccccn1
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+6n/an/an/an/a


TBA

Assay Description
Agonist activity at AhR in human HepG2 cells co-transfected with pSELECT-zeo-Lucia and CYP1A1 assessed as induction of receptor transactivation incub...


Citation and Details

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


(Homo sapiens (Human))
BDBM50556473
PNG
(CHEMBL4746741)
Show SMILES Oc1ccccc1C(c1ccc(Cl)cc1)c1ccccn1
PDB

KEGG

UniProtKB/SwissProt

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GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+6n/an/an/an/a


TBA

Assay Description
Agonist activity at AhR in human HepG2 cells co-transfected with pSELECT-zeo-Lucia and CYP1A1 assessed as induction of receptor transactivation incub...


Citation and Details

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


(Homo sapiens (Human))
BDBM50556474
PNG
(CHEMBL4758967)
Show SMILES Oc1ccccc1C(c1ccc(F)cc1)c1ccccn1
PDB

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PC cid
PC sid
UniChem
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n/an/an/an/a>1.00E+6n/an/an/an/a


TBA

Assay Description
Agonist activity at AhR in human HepG2 cells co-transfected with pSELECT-zeo-Lucia and CYP1A1 assessed as induction of receptor transactivation incub...


Citation and Details

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


(Homo sapiens (Human))
BDBM50556475
PNG
(CHEMBL4764664)
Show SMILES COc1ccc(cc1)C(c1ccccn1)n1nnc2ccccc12
PDB

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UniChem
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n/an/an/an/a>1.00E+5n/an/an/an/a


TBA

Assay Description
Agonist activity at AhR in human HepG2 cells co-transfected with pSELECT-zeo-Lucia and CYP1A1 assessed as induction of receptor transactivation incub...


Citation and Details

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


(Homo sapiens (Human))
BDBM50556476
PNG
(CHEMBL4796168)
Show SMILES CC(=O)Oc1ccc(cc1)C(c1ccccn1)n1nnc2ccccc12
PDB

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UniChem
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n/an/an/an/a>1.00E+5n/an/an/an/a


TBA

Assay Description
Agonist activity at AhR in human HepG2 cells co-transfected with pSELECT-zeo-Lucia and CYP1A1 assessed as induction of receptor transactivation incub...


Citation and Details

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


(Homo sapiens (Human))
BDBM50556477
PNG
(CHEMBL4756836)
Show SMILES COc1ccc(cc1)C(c1ccccn1)c1c(O)ccc2ccccc12
PDB

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UniChem
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PubMed
n/an/an/an/a 5.36E+4n/an/an/an/a


TBA

Assay Description
Agonist activity at AhR in human HepG2 cells co-transfected with pSELECT-zeo-Lucia and CYP1A1 assessed as induction of receptor transactivation incub...


Citation and Details

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


(Homo sapiens (Human))
BDBM50556478
PNG
(CHEMBL4742377)
Show SMILES Oc1ccc(cc1)C(c1ccccn1)c1c(O)ccc2ccccc12
PDB

KEGG

UniProtKB/SwissProt

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GoogleScholar
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PC cid
PC sid
UniChem
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PubMed
n/an/an/an/a>5.00E+4n/an/an/an/a


TBA

Assay Description
Agonist activity at AhR in human HepG2 cells co-transfected with pSELECT-zeo-Lucia and CYP1A1 assessed as induction of receptor transactivation incub...


Citation and Details

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


(Homo sapiens (Human))
BDBM50556479
PNG
(CHEMBL4757889)
Show SMILES CC(=O)Oc1ccc(cc1)C(c1ccccn1)c1c(OC(C)=O)ccc2ccccc12
PDB

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UniChem
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n/an/an/an/a>2.00E+5n/an/an/an/a


TBA

Assay Description
Agonist activity at AhR in human HepG2 cells co-transfected with pSELECT-zeo-Lucia and CYP1A1 assessed as induction of receptor transactivation incub...


Citation and Details

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


(Homo sapiens (Human))
BDBM50556480
PNG
(CHEMBL4756642)
Show SMILES COc1ccc(cc1)C(c1c[nH]c2ccccc12)c1ccccn1
PDB

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PubMed
n/an/an/an/a 2.17E+4n/an/an/an/a


TBA

Assay Description
Agonist activity at AhR in human HepG2 cells co-transfected with pSELECT-zeo-Lucia and CYP1A1 assessed as induction of receptor transactivation incub...


Citation and Details

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


(Homo sapiens (Human))
BDBM50556481
PNG
(CHEMBL4747529)
Show SMILES CC(=O)Oc1ccc(cc1)C(c1c[nH]c2ccccc12)c1ccccn1
PDB

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n/an/an/an/a 2.79E+4n/an/an/an/a


TBA

Assay Description
Agonist activity at AhR in human HepG2 cells co-transfected with pSELECT-zeo-Lucia and CYP1A1 assessed as induction of receptor transactivation incub...


Citation and Details

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


(Homo sapiens (Human))
BDBM50556482
PNG
(CHEMBL4758893)
Show SMILES COc1ccc(cc1)C(c1cccs1)c1ccccn1
PDB

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n/an/an/an/a>5.00E+4n/an/an/an/a


TBA

Assay Description
Agonist activity at AhR in human HepG2 cells co-transfected with pSELECT-zeo-Lucia and CYP1A1 assessed as induction of receptor transactivation incub...


Citation and Details

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


(Homo sapiens (Human))
BDBM50556483
PNG
(CHEMBL4749256)
Show SMILES Oc1ccc(cc1)C(c1cccs1)c1ccccn1
PDB

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n/an/an/an/a 1.32E+4n/an/an/an/a


TBA

Assay Description
Agonist activity at AhR in human HepG2 cells co-transfected with pSELECT-zeo-Lucia and CYP1A1 assessed as induction of receptor transactivation incub...


Citation and Details

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


(Homo sapiens (Human))
BDBM50556484
PNG
(CHEMBL4760226)
Show SMILES COc1ccc(cc1)C(O)(c1ccccn1)c1ccc2ccccc2n1
PDB

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n/an/an/an/a 1.99E+4n/an/an/an/a


TBA

Assay Description
Agonist activity at AhR in human HepG2 cells co-transfected with pSELECT-zeo-Lucia and CYP1A1 assessed as induction of receptor transactivation incub...


Citation and Details

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


(Homo sapiens (Human))
BDBM50556485
PNG
(CHEMBL4798147)
Show SMILES COc1ccc(cc1)C(O)(c1ccc(cc1)C(F)(F)F)c1ccccn1
PDB

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UniChem
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PubMed
n/an/an/an/a 5.20E+4n/an/an/an/a


TBA

Assay Description
Agonist activity at AhR in human HepG2 cells co-transfected with pSELECT-zeo-Lucia and CYP1A1 assessed as induction of receptor transactivation incub...


Citation and Details

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


(Homo sapiens (Human))
BDBM61400
PNG
(BISACODYL | MLS000069729 | SMR000058226 | cid_2391)
Show SMILES CC(=O)Oc1ccc(cc1)C(c1ccc(OC(C)=O)cc1)c1ccccn1
Show InChI InChI=1S/C22H19NO4/c1-15(24)26-19-10-6-17(7-11-19)22(21-5-3-4-14-23-21)18-8-12-20(13-9-18)27-16(2)25/h3-14,22H,1-2H3
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UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+6n/an/an/an/a


TBA

Assay Description
Agonist activity at AhR in human HepG2 cells co-transfected with pSELECT-zeo-Lucia and CYP1A1 assessed as induction of receptor transactivation incub...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112777
BindingDB Entry DOI: 10.7270/Q29P359J
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
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UniChem
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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
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM50556458
PNG
(CHEMBL4744715)
Show SMILES Cc1ccc(cc1)C(c1ccc(O)cc1)c1ccccn1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a


TBA

Assay Description
Agonist activity at AhR in human HepG2 cells co-transfected with pSELECT-zeo-Lucia and CYP1A1 assessed as induction of receptor transactivation incub...


Citation and Details

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


(Homo sapiens (Human))
BDBM50556459
PNG
(CHEMBL4763780)
Show SMILES Oc1ccc(cc1)C(c1ccc(Br)cc1)c1ccccn1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a


TBA

Assay Description
Agonist activity at AhR in human HepG2 cells co-transfected with pSELECT-zeo-Lucia and CYP1A1 assessed as induction of receptor transactivation incub...


Citation and Details

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