BDBM50398680 CHEMBL2178150

SMILES CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1ccc(F)cc1)c1cc(cs1)-c1cccc(c1)C#N

InChI Key InChIKey=QDOSQUWDMMMXHC-UHFFFAOYSA-N

Data  2 KI  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50398680   

TargetBeta-secretase 1(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50398680(CHEMBL2178150)
Affinity DataKi:  26nMAssay Description:Inhibition of recombinant human BACE1 expressed in HEK293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50398680(CHEMBL2178150)
Affinity DataKi:  26nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50398680(CHEMBL2178150)
Affinity DataIC50: 191nMAssay Description:Inhibition of BACE1 in HEK293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50398680(CHEMBL2178150)
Affinity DataIC50: 3.00E+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
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed