BDBM50452357 CHEMBL4210137

SMILES CCOc1cc(\C=C\C(=O)c2ccncc2)cc(OC)c1OCC

InChI Key InChIKey=SQZFPRBIMUDDBG-UHFFFAOYSA-N

Data  14 IC50  1 EC50

  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 = 50452357   

TargetCytochrome P450 1A1(Human)
De Montfort University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50452357BDBM50452357(CHEMBL4210137)
Affinity DataIC50: 65nMAssay Description:Inhibition of recombinant human CYP1A1 expressed in HEK293 cells using 7-ethoxyresorufin as substrate pretreated for 30 mins followed by substrate ad...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCytochrome P450 1A1(Human)
De Montfort University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50452357BDBM50452357(CHEMBL4210137)
Affinity DataIC50: 65nMAssay Description:Inhibition of human CYP1A1 expressed in yeast microsomal membranes using 7-ethoxyresorufin as substrate measured after 10 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCytochrome P450 1A1(Human)
De Montfort University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50452357BDBM50452357(CHEMBL4210137)
Affinity DataEC50:  1.40E+4nMAssay Description:Inhibition of recombinant human CYP1A1 expressed in HEK293 cells assessed as reduction in benzo(a)pyrene-induced toxicity by measuring B[a]P EC50 at ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed