BDBM50468037 CHEMBL4293298

SMILES [H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1cc(cs1)-c1cccc(c1)C#N)c1nc(C)c(F)c(OC)n1

InChI Key InChIKey=CQZIPTUTHCRGDV-XDHUDOTRSA-N

Data  1 KI  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 2 hits for monomerid = 50468037   

TargetBeta-secretase 1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50468037(CHEMBL4293298)
Affinity DataKi:  0.700nMAssay Description:Inhibition of recombinant human BACE1 expressed in HEK293 cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50468037(CHEMBL4293298)
Affinity DataIC50:  1.10E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate preincubated for 30 mins followed by substrate/NADPH addition measured...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed