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BDBM50310361 3-(2',6'-Difluorophenyl)-1H-naphtho[2,1-b]pyran-1-one::CHEMBL600169

SMILES: Fc1cccc(F)c1-c1cc(=O)c2c(ccc3ccccc23)o1

InChI Key: InChIKey=OVPIPDBAWBHXGR-UHFFFAOYSA-N

Data: 2 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 = 50310361   
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))
BDBM50310361
PNG
(3-(2',6'-Difluorophenyl)-1H-naphtho[2,1-b]pyran-1-...)
Show SMILES Fc1cccc(F)c1-c1cc(=O)c2c(ccc3ccccc23)o1
Show InChI InChI=1S/C19H10F2O2/c20-13-6-3-7-14(21)19(13)17-10-15(22)18-12-5-2-1-4-11(12)8-9-16(18)23-17/h1-10H
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 200n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at AhR in human MCF-7 cells assessed as increase of CYP1A1-dependent 7-ethoxyresorufin O-deethylase activity


J Med Chem 54: 1539-54 (2011)


Article DOI: 10.1021/jm101356p
BindingDB Entry DOI: 10.7270/Q27S7P30
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM50310361
PNG
(3-(2',6'-Difluorophenyl)-1H-naphtho[2,1-b]pyran-1-...)
Show SMILES Fc1cccc(F)c1-c1cc(=O)c2c(ccc3ccccc23)o1
Show InChI InChI=1S/C19H10F2O2/c20-13-6-3-7-14(21)19(13)17-10-15(22)18-12-5-2-1-4-11(12)8-9-16(18)23-17/h1-10H
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 200n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at aryl hydrocarbon receptor in human MCF7 cells after 24 hrs CYP1A1-dependent EROD assay


Bioorg Med Chem 18: 1194-203 (2010)


Article DOI: 10.1016/j.bmc.2009.12.036
BindingDB Entry DOI: 10.7270/Q2GX4BNF
More data for this
Ligand-Target Pair