BDBM50028040 CHEMBL3338846

SMILES COc1ccc(CNC(=O)c2cc(cnc2-c2ccccc2)-c2cncc(C)c2)nc1OC

InChI Key InChIKey=RONPUQMRCFZQLJ-UHFFFAOYSA-N

Data  2 KI  2 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 = 50028040   

TargetOrexin receptor type 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50028040(CHEMBL3338846)
Affinity DataKi:  0.300nMAssay Description:Displacement of (S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-([3H]-1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R ex...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/8/2016
Entry Details Article
PubMed
TargetOrexin receptor type 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50028040(CHEMBL3338846)
Affinity DataIC50: 13nMAssay Description:Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of Ala-6,12-orexinA-induced effect after 5 mins by FLIPR assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/8/2016
Entry Details Article
PubMed
TargetOrexin/Hypocretin receptor type 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50028040(CHEMBL3338846)
Affinity DataKi:  720nMAssay Description:Displacement of N-cyclobutyl-5-methyl-N-(2-([3H]-1-methyl-1H-benzo[d]imidazol-2-ylthio)ethyl)-2-(2H-1,2,3-triazol-2-yl)benzamide from human OX1R I408...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/8/2016
Entry Details Article
PubMed
TargetOrexin/Hypocretin receptor type 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50028040(CHEMBL3338846)
Affinity DataIC50: 2.01E+3nMAssay Description:Antagonist activity at human OX1R I408V mutant expressed in CHO cells assessed as inhibition of Ala-6,12-orexinA-induced effect after 5 mins by FLIPR...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/8/2016
Entry Details Article
PubMed