BDBM50113980 CHEMBL3605557

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

InChI Key InChIKey=GAPKQSFTRWQZTL-SNVBAGLBSA-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 = 50113980   

TargetCytochrome P450 2D6(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50113980(CHEMBL3605557)
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 DepthDetails ArticlePubMed
TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50113980(CHEMBL3605557)
Affinity DataEC50:  7nMAssay 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 DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50113980(CHEMBL3605557)
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 DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50113980(CHEMBL3605557)
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 DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50113980(CHEMBL3605557)
Affinity DataIC50: >2.00E+5nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50113980(CHEMBL3605557)
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 DepthDetails ArticlePubMed
TargetCytochrome P450 3A5(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50113980(CHEMBL3605557)
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 DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50113980(CHEMBL3605557)
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 DepthDetails ArticlePubMed