BDBM50321511 (+/-)-(9-(7-fluoroquinazolin-2-yl)-3,9-diazabicyclo[4.2.1]nonan-3-yl)(5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)methanone::CHEMBL1170803

SMILES Cc1ccc(c(c1)C(=O)N1CCC2CCC(C1)N2c1ncc2ccc(F)cc2n1)-n1nccn1

InChI Key InChIKey=LYSXRGSKWCNKHT-UHFFFAOYSA-N

Data  2 KI  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50321511   

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

Curated by ChEMBL
LigandPNGBDBM50321511((+/-)-(9-(7-fluoroquinazolin-2-yl)-3,9-diazabicycl...)
Affinity DataIC50: 72nMAssay Description:Antagonist activity at OX1R by FLIPR assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetOrexin receptor type 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50321511((+/-)-(9-(7-fluoroquinazolin-2-yl)-3,9-diazabicycl...)
Affinity DataIC50: 175nMAssay Description:Antagonist activity at OX2R by FLIPR assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetOrexin receptor type 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50321511((+/-)-(9-(7-fluoroquinazolin-2-yl)-3,9-diazabicycl...)
Affinity DataKi:  0.800nMAssay Description:Binding affinity to OX2RMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetOrexin/Hypocretin receptor type 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50321511((+/-)-(9-(7-fluoroquinazolin-2-yl)-3,9-diazabicycl...)
Affinity DataKi:  0.900nMAssay Description:Binding affinity to OX1RMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed