BDBM50380415 CHEMBL2018481

SMILES O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1C[C@@H](Cc2ccccc2)CN1C(=O)Cc1cnc[nH]1

InChI Key InChIKey=DHHGEOKAXUKQCM-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 50380415   

TargetSphingosine 1-phosphate receptor 1(Human)
Exelixis

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50380415BDBM50380415(CHEMBL2018481)
Affinity DataIC50: 84.7nMAssay Description:Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Exelixis

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50380415BDBM50380415(CHEMBL2018481)
Affinity DataIC50: 1.18E+3nMAssay Description:Inhibition of human CYP2D6 using bufuralol as substrate by LC/MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Exelixis

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50380415BDBM50380415(CHEMBL2018481)
Affinity DataIC50: 7.15E+3nMAssay Description:Inhibition of human CYP3A4 using testosterone as substrate by LC/MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed