BDBM50081668 CHEMBL3421640

SMILES COc1ccc(OC)c2c3oc(-c4cccc(F)c4)c(OCCOCCOCCOC(=O)CN)c(=O)c3cc(OC)c12

InChI Key InChIKey=GMFHPQPBQAKMIW-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50081668   

TargetCytochrome P450 1A1(Human)
Shanghai Jiao Tong University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50081668BDBM50081668(CHEMBL3421640)
Affinity DataIC50: 36nMAssay Description:Inhibition of human CYP1A1 assessed as reduction in 7-ethoxyresorufin O-deethylation activity by fluorescence based EROD assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/1/2016
Entry Details Article
PubMed
TargetCytochrome P450 1B1(Human)
Shanghai Jiao Tong University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50081668BDBM50081668(CHEMBL3421640)
Affinity DataIC50: 69nMAssay Description:Inhibition of human CYP1B1 assessed as reduction in 7-ethoxyresorufin O-deethylation activity by fluorescence based EROD assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/1/2016
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Shanghai Jiao Tong University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50081668BDBM50081668(CHEMBL3421640)
Affinity DataIC50: 120nMAssay Description:Inhibition of human CYP1A2 assessed as reduction in 7-ethoxyresorufin O-deethylation activity by fluorescence based EROD assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/1/2016
Entry Details Article
PubMed