BDBM50587161 CHEMBL5073369

SMILES N.C[C@H](Cn1cnc2c(N)ncnc12)OCP(O)(=O)OCCCOCCCCCCCCCCCCCC#CC(F)(F)F

InChI Key InChIKey=CYKVFJXADMTUTR-GJFSDDNBSA-N

Data  2 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 2 hits for monomerid = 50587161   

TargetCytochrome P450 3A4(Homo sapiens (Human))
Emory University

Curated by ChEMBL
LigandPNGBDBM50587161(CHEMBL5073369)
Affinity DataIC50:  1.20E+4nMAssay Description:Inhibition of human recombinant CYP3A4 expressed in insect microsome using 7-benzyloxy-4-trifluoromethylcoumarin as a substrate incubated for 30 mins...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Emory University

Curated by ChEMBL
LigandPNGBDBM50587161(CHEMBL5073369)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of human recombinant CYP2D6 expressed in insect microsome using (3-[2-(N,N-dimethyl-N-methylammonium)-ethyl]-7-methoxy-4-methylcoumarin io...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed