BDBM50258741 (5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(4-(quinazolin-2-yl)-1,4-diazepan-1-yl)methanone::CHEMBL469146

SMILES Cc1ccc(c(c1)C(=O)N1CCCN(CC1)c1ncc2ccccc2n1)-n1nccn1

InChI Key InChIKey=AHMDYOOHWSZVAL-UHFFFAOYSA-N

Data  9 KI  6 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 15 hits for monomerid = 50258741   

TargetOrexin receptor type 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50258741((5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(4-(quin...)
Affinity DataKi:  0.590nMAssay 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 DepthDetails ArticlePubMed
TargetOrexin receptor type 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50258741((5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(4-(quin...)
Affinity DataKi:  0.600nMAssay Description:Binding affinity to OX2 receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOrexin receptor type 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50258741((5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(4-(quin...)
Affinity DataKi:  0.600nMAssay Description:Binding affinity to OX2RMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOrexin receptor type 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50258741((5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(4-(quin...)
Affinity DataKi:  0.600nMAssay Description:Binding affinity to OX2 receptor by radioligand displacement assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50258741((5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(4-(quin...)
Affinity DataKi:  1.20nMAssay Description:Binding affinity to OX1 receptor by radioligand displacement assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50258741((5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(4-(quin...)
Affinity DataKi:  1.20nMAssay 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 DepthDetails ArticlePubMed
TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50258741((5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(4-(quin...)
Affinity DataKi:  1.20nMAssay Description:Binding affinity to OX1 receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50258741((5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(4-(quin...)
Affinity DataKi:  1.20nMAssay Description:Binding affinity to OX1RMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50258741((5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(4-(quin...)
Affinity DataKi:  1.20nMAssay 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 DepthDetails ArticlePubMed
TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50258741((5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(4-(quin...)
Affinity DataIC50:  29nMAssay Description:Antagonist activity at OX1R (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOrexin receptor type 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50258741((5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(4-(quin...)
Affinity DataIC50:  27nMAssay Description:Antagonist activity at OX2R (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50258741((5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(4-(quin...)
Affinity DataIC50:  29nMAssay Description:Antagonist activity at human OX1R expressed in CHO cells assessed as inhibition of orexin-A-induced intracellular calcium mobilization after 5 mins b...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOrexin receptor type 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50258741((5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(4-(quin...)
Affinity DataIC50:  27nMAssay Description:Antagonist activity at OX2 receptor assessed as inhibition of calcium flux by FLIPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50258741((5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(4-(quin...)
Affinity DataIC50:  29nMAssay Description:Antagonist activity at OX1 receptor assessed as inhibition of calcium flux by FLIPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOrexin receptor type 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50258741((5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(4-(quin...)
Affinity DataIC50:  27nMAssay Description:Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of orexin-A-induced intracellular calcium mobilization after 5 mins b...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed