BDBM50585945 CHEMBL5088062

SMILES N[C@]1(CC#N)CC[C@@H](CC1)n1cnc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1Cl

InChI Key InChIKey=VRCBLUYLPMZFLK-UHFFFAOYSA-N

Data  1 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 = 50585945   

TargetCytochrome P450 3A4(Human)
Aurigene Discovery Technologies

Curated by ChEMBL
LigandPNGBDBM50585945(CHEMBL5088062)
Affinity DataIC50: 5.70E+3nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed