BDBM50380416 CHEMBL2018482

SMILES O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)Cc1cnc[nH]1

InChI Key InChIKey=KKOSHWJEFBAPQK-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 50380416   

TargetSphingosine 1-phosphate receptor 1(Human)
Exelixis

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50380416BDBM50380416(CHEMBL2018482)
Affinity DataIC50: 158nMAssay 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 2C9(Human)
Exelixis

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50380416BDBM50380416(CHEMBL2018482)
Affinity DataIC50: 213nMAssay Description:Inhibition of human CYP2C9 using tolbutamide 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 50380416BDBM50380416(CHEMBL2018482)
Affinity DataIC50: 301nMAssay 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
TargetCytochrome P450 2D6(Human)
Exelixis

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50380416BDBM50380416(CHEMBL2018482)
Affinity DataIC50: 663nMAssay 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