BDBM50562230 CHEMBL4759778

SMILES COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1cncc(F)c1

InChI Key InChIKey=KDLAGYSQQQFFSB-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 1 hit for monomerid = 50562230   

TargetCytochrome P450 1A2(Human)
Shanghai Jiao Tong University

Curated by ChEMBL
LigandPNGBDBM50562230(CHEMBL4759778)
Affinity DataIC50: 141nMAssay Description:Inhibition of recombinant human CYP1A2 using 7-ethoxyresorufin as substrate after 50 mins in presence of NADP+ by EROD assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed