BDBM50398693 CHEMBL2178718

SMILES CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1ncc(F)cn1)c1cc(cs1)-c1cccc(c1)C#N

InChI Key InChIKey=PTLJUNIICOHEHE-UHFFFAOYSA-N

Data  3 KI  10 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 13 hits for monomerid = 50398693   

TargetBeta-secretase 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50398693(CHEMBL2178718)
Affinity DataIC50: 16nMAssay 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)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50398693(CHEMBL2178718)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP3A4 coincubated with substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50398693(CHEMBL2178718)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2D6 coincubated with substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50398693(CHEMBL2178718)
Affinity DataIC50: 2.24E+4nMAssay Description:Inhibition of CYP2C9 coincubated with substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50398693(CHEMBL2178718)
Affinity DataIC50: 1.20E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using testosterone and midazolam as substrate preincubated for 30 mins followed substrate addition by ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2017
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50398693(CHEMBL2178718)
Affinity DataIC50: 1.97E+4nMAssay Description:Inhibition of CYP2D6 preincubated with substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50398693(CHEMBL2178718)
Affinity DataIC50: 1.90E+3nMAssay Description:Inhibition of CYP3A4 preincubated with substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50398693(CHEMBL2178718)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2C9 preincubated with substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50398693(CHEMBL2178718)
Affinity DataIC50: 1.20E+3nMAssay 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
TargetCytochrome P450 3A4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50398693(CHEMBL2178718)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate after 30 mins in presence of NADPH measured by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50398693(CHEMBL2178718)
Affinity DataKi:  4nMAssay 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)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50398693(CHEMBL2178718)
Affinity DataKi:  4nMAssay Description:Inhibition of recombinant human BACE1 preincubated for 30 mins followed QSY7EISEVNLDAEFC-Eu-amide substrate addition measured after 90 mins by FRET a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2017
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50398693(CHEMBL2178718)
Affinity DataKi:  4nMAssay 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