BDBM50012610 CHEMBL3260830

SMILES C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1nc(N)c2c(C)coc2n1

InChI Key InChIKey=ROCGDCJOZCLRBC-UHFFFAOYSA-N

Data  2 KI  2 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 4 hits for monomerid = 50012610   

TargetOrexin/Hypocretin receptor type 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50012610(CHEMBL3260830)
Affinity DataKi:  1.80nMAssay Description:Displacement of [3H]radioligand from human orexin-1 receptor expressed in CHO cells after 3 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/9/2015
Entry Details Article
PubMed
TargetOrexin receptor type 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50012610(CHEMBL3260830)
Affinity DataKi:  25nMAssay Description:Displacement of [3H]radioligand from human orexin-2 receptor expressed in CHO cells after 3 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/9/2015
Entry Details Article
PubMed
TargetOrexin/Hypocretin receptor type 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50012610(CHEMBL3260830)
Affinity DataIC50: 195nMAssay Description:Antagonist activity at human orexin-1 receptor expressed in CHO cells assessed as inhibition of Ala-6, 12-induced responses by FLIPR assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/9/2015
Entry Details Article
PubMed
TargetOrexin receptor type 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50012610(CHEMBL3260830)
Affinity DataIC50: 210nMAssay Description:Antagonist activity at human orexin-2 receptor expressed in CHO cells assessed as inhibition of Ala-6, 12-induced responses by FLIPR assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/9/2015
Entry Details Article
PubMed