BDBM50587157 CHEMBL5080093

SMILES C[C@H](Cn2cnc1c(N)ncnc12)OCP(=O)(O)OCCCCCCCCCCCCCCCCC#C[Si](C)(C)C

InChI Key InChIKey=JCQMYHFKDAZHTR-UHFFFAOYSA-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 = 50587157   

TargetCytochrome P450 3A4(Human)
Emory University

Curated by ChEMBL
LigandPNGBDBM50587157(CHEMBL5080093)
Affinity DataIC50: 2.70E+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
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Emory University

Curated by ChEMBL
LigandPNGBDBM50587157(CHEMBL5080093)
Affinity DataIC50: 2.71E+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
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed