BDBM50113979 CHEMBL3605558

SMILES CCn1c(nc2cnc(cc12)C1CC1)[C@@H](C)NS(=O)(=O)c1ccc(nc1)C#N

InChI Key InChIKey=BBYGAEPKKAXIBP-UHFFFAOYSA-N

Data  7 IC50  1 EC50

  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 8 hits for monomerid = 50113979   

TargetCytochrome P450 2D6(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50113979(CHEMBL3605558)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes incubated for 5 mins in presence of NADPH and specific substrates by LC/MS/MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/23/2016
Entry Details Article
PubMed
TargetSphingosine 1-phosphate receptor 1(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50113979(CHEMBL3605558)
Affinity DataEC50:  4nMAssay Description:Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor transl...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/23/2016
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50113979(CHEMBL3605558)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes incubated for 5 mins in presence of NADPH and specific substrates by LC/MS/MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/23/2016
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50113979(CHEMBL3605558)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes incubated for 5 mins in presence of NADPH and specific substrates by LC/MS/MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/23/2016
Entry Details Article
PubMed
LigandPNGBDBM50113979(CHEMBL3605558)
Affinity DataIC50: 2.00E+5nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/23/2016
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50113979(CHEMBL3605558)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes incubated for 5 mins in presence of NADPH and specific substrates by LC/MS/MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/23/2016
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50113979(CHEMBL3605558)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes incubated for 5 mins in presence of NADPH and specific substrates by LC/MS/MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/23/2016
Entry Details Article
PubMed
TargetCytochrome P450 3A5(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50113979(CHEMBL3605558)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP3A5 in human liver microsomes incubated for 5 mins in presence of NADPH and specific substrates by LC/MS/MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/23/2016
Entry Details Article
PubMed