BDBM50342538 2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepine::CHEMBL1770373

SMILES C(c1ccccc1)c1ncc2CCNCCc2n1

InChI Key InChIKey=CZWQBSKNHUVZLI-UHFFFAOYSA-N

Data  4 KI  14 IC50  9 EC50

  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 27 hits for monomerid = 50342538   

Target5-hydroxytryptamine receptor 2C(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50342538(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Affinity DataKi:  160nMAssay Description:Displacement of [3H]meselurgine from human 5HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 2C(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50342538(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Affinity DataKi:  160nMAssay Description:Displacement of [3H]-mesulergine from human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 2C(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50342538(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Affinity DataKi:  180nMAssay Description:Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 2C(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50342538(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Affinity DataKi:  180nMAssay Description:Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 2C(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50342538(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Affinity DataEC50:  4.5nMAssay Description:Agonist activity at human 5HT2C receptor highly expressed in Swiss mouse 3T3 cells increase of fluorescence based calcium mobilization by FLIPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 2C(Dog)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50342538(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Affinity DataEC50:  10.8nMAssay Description:Agonist activity at dog 5HT2C receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMuscarinic acetylcholine receptor M1(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50342538(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Affinity DataIC50:  300nMAssay Description:Binding affinity to muscarinic M1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMuscarinic acetylcholine receptor M3(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50342538(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Affinity DataIC50:  300nMAssay Description:Binding affinity to muscarinic M3 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMuscarinic acetylcholine receptor M4(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50342538(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Affinity DataIC50:  300nMAssay Description:Binding affinity to muscarinic M4 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMuscarinic acetylcholine receptor M5(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50342538(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Affinity DataIC50:  300nMAssay Description:Binding affinity to muscarinic M5 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 3A(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50342538(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Affinity DataIC50:  2.30E+3nMAssay Description:Binding affinity to 5-HT3 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 6(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50342538(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Affinity DataIC50:  1.80E+3nMAssay Description:Binding affinity to 5-HT6 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 2A(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50342538(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Affinity DataEC50:  68nMAssay Description:Agonist activity at human recombinant 5HT2A receptor expressed in Swiss mouse 3T3 cells increase of fluorescence based calcium mobilization by FLIPR ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 2C(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50342538(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Affinity DataEC50:  190nMAssay Description:Agonist activity at human 5HT2C receptor expressed in Swiss mouse 3T3 cells with low expression increase of fluorescence based calcium mobilization b...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 2A(Dog)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50342538(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Affinity DataEC50:  3.40E+3nMAssay Description:Agonist activity at 5HT2A receptor in dog femoral arteryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50342538(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Affinity DataIC50: >2.23E+4nMAssay Description:Binding affinity to human ERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50342538(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP1A2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50342538(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50342538(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP2C19More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50342538(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50342538(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 2C(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50342538(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Affinity DataEC50:  4.5nMAssay Description:Agonist activity at human 5HT2C receptor expressed in CHO-K1 cells assessed as increase of fluorescence based calcium mobilization by FLIPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50342538(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human ERG by patch-clamp methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMuscarinic acetylcholine receptor M4(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50342538(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Affinity DataIC50:  6.80E+3nMAssay Description:Antagonist activity at human muscarinic M4 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 2B(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50342538(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at recombinant human 5-HT2B receptor expressed in CHO K1 cells assessed as calcium mobilization by FLIPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 2C(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50342538(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Affinity DataEC50:  190nMAssay Description:Agonist activity at recombinant human 5-HT2C receptor expressed in CHO K1 cells assessed as calcium mobilization by FLIPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 2A(Dog)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50342538(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Affinity DataEC50:  3.40E+3nMAssay Description:Agonist activity at 5-HT2A receptor in beagle dog femoral arteries tissue after 1 hrMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed