BDBM50272886 CHEMBL4127978

SMILES CCn1ncc2C[C@@H](CCc12)Nc1nc2c(cccn2n1)-c1ccc(F)cc1C

InChI Key InChIKey=OHXQPMCUJTWQJA-UHFFFAOYSA-N

Data  7 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 7 hits for monomerid = 50272886   

TargetCytochrome P450 2C19(Human)
Boehringer Ingelheim Pharma

Curated by ChEMBL
LigandPNGBDBM50272886(CHEMBL4127978)
Affinity DataIC50: 3.60E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/3/2020
Entry Details Article
PubMed
TargetCytochrome P450 2C8(Human)
Boehringer Ingelheim Pharma

Curated by ChEMBL
LigandPNGBDBM50272886(CHEMBL4127978)
Affinity DataIC50: 9.50E+3nMAssay Description:Inhibition of CYP2C8 in human liver microsomes in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/3/2020
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Boehringer Ingelheim Pharma

Curated by ChEMBL
LigandPNGBDBM50272886(CHEMBL4127978)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/3/2020
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Boehringer Ingelheim Pharma

Curated by ChEMBL
LigandPNGBDBM50272886(CHEMBL4127978)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/3/2020
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Boehringer Ingelheim Pharma

Curated by ChEMBL
LigandPNGBDBM50272886(CHEMBL4127978)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/3/2020
Entry Details Article
PubMed
TargetPresenilin-1(Human)
Boehringer Ingelheim Pharma

Curated by ChEMBL
LigandPNGBDBM50272886(CHEMBL4127978)
Affinity DataIC50: 3.00E+4nMAssay Description:Modulation of gamma-secretase in human E6 cells expressing HeLaTetON-NotchdeltaE-NLuc/CLuc-RBP assessed as notch cleavage after 16 hrs by bioluminesc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/3/2020
Entry Details Article
PubMed
TargetPresenilin-1(Human)
Boehringer Ingelheim Pharma

Curated by ChEMBL
LigandPNGBDBM50272886(CHEMBL4127978)
Affinity DataIC50: 40nMAssay Description:Modulation of gamma secretase in human H4 cells expressing human wild type APP assessed as inhibition of amyloid beta 42 production after 22 hrs by e...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/3/2020
Entry Details Article
PubMed