BDBM50171971 4-[2-(5-Ethyl-10-methyl-11-oxo-10,11-dihydro-5H-4,5,6,10-tetraaza-dibenzo[a,d]cyclohepten-2-yl)-ethoxy]-3-methyl-benzoic acid::CHEMBL192530

SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCOc3ccc(cc3C)C(O)=O)cnc12

InChI Key InChIKey=CSOUXLJIXTUXNU-UHFFFAOYSA-N

Data  8 IC50  2 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 2 hits for monomerid = 50171971   

TargetCytochrome P450 3A4(Homo sapiens (Human))
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50171971(4-[2-(5-Ethyl-10-methyl-11-oxo-10,11-dihydro-5H-4,...)
Affinity DataIC50:  2.40E+4nMAssay Description:Inhibitory concentration (1.5 mM) against human CYP450 3A4 dissolved in acetonitrile/methanol using 7-Benzyloxy-4-(trifluoromethyl)coumarin (BFC) as ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50171971(4-[2-(5-Ethyl-10-methyl-11-oxo-10,11-dihydro-5H-4,...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibitory concentration (1.5 mM) against human CYP450 3A4 dissolved in acetonitrile/methanol using 7-Benzyloxy-quinoline (BQ) as fluorogenic substra...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed