BDBM50074103 CHEMBL3409859

SMILES COc1cccc(OC)c1[C@@H]1C[C@@H](O)C(=O)N1Cc1ccc(OC(F)(F)F)cc1

InChI Key InChIKey=QAUTYBBMQXPFIE-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50074103   

TargetOrexin/Hypocretin receptor type 1(Human)
Actelion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50074103(CHEMBL3409859)
Affinity DataIC50: 927nMAssay Description:Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/23/2016
Entry Details Article
PubMed
TargetOrexin receptor type 2(Human)
Actelion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50074103(CHEMBL3409859)
Affinity DataIC50: 59nMAssay Description:Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/23/2016
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Actelion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50074103(CHEMBL3409859)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin) using testosterone as marker substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/23/2016
Entry Details Article
PubMed