BDBM50318694 2-{(5S)-5-Methyl-4-[2-(2H-1,2,3-triazol-2-yl)benzoyl]-1,4-diazepan-1-yl}quinazoline::CHEMBL1082414

SMILES C[C@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1ncc2ccccc2n1

InChI Key InChIKey=BZCVKCOKZBGXCF-UHFFFAOYSA-N

Data  3 KI

  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 = 50318694   

TargetOrexin receptor type 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50318694(2-{(5S)-5-Methyl-4-[2-(2H-1,2,3-triazol-2-yl)benzo...)
Affinity DataKi:  8.5nMAssay Description:Displacement of [3H](S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R exp...More 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
LigandPNGBDBM50318694(2-{(5S)-5-Methyl-4-[2-(2H-1,2,3-triazol-2-yl)benzo...)
Affinity DataKi:  54nMAssay Description:Displacement of [3H](S)-N-(biphenyl-2-yl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX1R expressed in C...More 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
LigandPNGBDBM50318694(2-{(5S)-5-Methyl-4-[2-(2H-1,2,3-triazol-2-yl)benzo...)
Affinity DataKi:  54nMAssay Description:Displacement of [3H]N-cyclobutyl-5-methyl-N-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)ethyl)-2-(2H-1,2,3-triazol-2-yl)benzamide from human OX1R expre...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed