BDBM50000985 CHEMBL3235253

SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cc(C)ccc1-n1nccn1)C#Cc1ccc(F)cn1

InChI Key InChIKey=GDLACGKFMPNRBW-UHFFFAOYSA-N

Data  2 KI  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 5 hits for monomerid = 50000985   

TargetCytochrome P450 3A4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50000985(CHEMBL3235253)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/6/2015
Entry Details Article
PubMed
TargetOrexin receptor type 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50000985(CHEMBL3235253)
Affinity DataIC50: 24nMAssay Description:Antagonist activity at human OX2 receptor assessed as Ca2+ flux by FLIPR assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/6/2015
Entry Details Article
PubMed
TargetOrexin/Hypocretin receptor type 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50000985(CHEMBL3235253)
Affinity DataIC50: 31nMAssay Description:Antagonist activity at human OX1 receptor assessed as Ca2+ flux by FLIPR assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/6/2015
Entry Details Article
PubMed
TargetOrexin receptor type 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50000985(CHEMBL3235253)
Affinity DataKi:  1.10nMAssay Description:Binding affinity to human OX2 receptor in cell membrane by in vitro radioligand binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/6/2015
Entry Details Article
PubMed
TargetOrexin/Hypocretin receptor type 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50000985(CHEMBL3235253)
Affinity DataKi:  1.10nMAssay Description:Binding affinity to human OX1 receptor in cell membrane by in vitro radioligand binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/6/2015
Entry Details Article
PubMed