BDBM50113978 CHEMBL3605543

SMILES CCn1c(nc2ccc(cc12)C(F)(F)F)[C@@H](C)NS(=O)(=O)c1ccncc1

InChI Key InChIKey=XJBSZQUEIDNMDR-UHFFFAOYSA-N

Data  1 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 2 hits for monomerid = 50113978   

TargetSphingosine 1-phosphate receptor 1(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50113978(CHEMBL3605543)
Affinity DataEC50:  26nMAssay 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 2C19(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50113978(CHEMBL3605543)
Affinity DataIC50: 40nMAssay 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