BDBM50585942 CHEMBL5092411

SMILES CC1(CCC(CC#N)CC1)n1cnc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1Cl

InChI Key InChIKey=PWQUPCKLWZWJNL-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50585942   

TargetCytochrome P450 3A4(Human)
Aurigene Discovery Technologies

Curated by ChEMBL
LigandPNGBDBM50585942(CHEMBL5092411)
Affinity DataIC50: 500nMAssay 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