BDBM50095890 2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethanol::2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-1-yl)ethoxy]ethanol::CHEMBL716::QUETIAPINE

SMILES OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12

InChI Key InChIKey=URKOMYMAXPYINW-UHFFFAOYSA-N

Data  204 KI  12 IC50  1 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 9 hits for monomerid = 50095890   

TargetHistamine H1 receptor(Homo sapiens (Human))
Merck Sharp And Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50095890(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)
Affinity DataKi:  21nMAssay Description:Binding affinity towards human H1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Merck Sharp And Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50095890(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)
Affinity DataKi:  56nMAssay Description:Binding affinity towards human M1 receptor.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(2) dopamine receptor(Homo sapiens (Human))
Merck Sharp And Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50095890(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)
Affinity DataKi:  69nMAssay Description:Binding affinity towards human D2 dopamine receptor.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Merck Sharp And Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50095890(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)
Affinity DataKi:  82nMAssay Description:Binding affinity for human 5-hydroxytryptamine 2A receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(3) dopamine receptor(Homo sapiens (Human))
Merck Sharp And Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50095890(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)
Affinity DataKi:  340nMAssay Description:Binding affinity towards human dopamine receptor D3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(1A) dopamine receptor(Homo sapiens (Human))
Merck Sharp And Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50095890(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)
Affinity DataKi:  390nMAssay Description:Binding affinity against dopamine receptor D1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Merck Sharp And Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50095890(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)
Affinity DataKi:  830nMAssay Description:Binding affinity towards human 5-hydroxytryptamine 1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
Merck Sharp And Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50095890(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)
Affinity DataKi:  1.50E+3nMAssay Description:Binding affinity towards human 5-hydroxytryptamine 2C receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetD(4) dopamine receptor(Homo sapiens (Human))
Merck Sharp And Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50095890(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)
Affinity DataKi:  1.60E+3nMAssay Description:Binding affinity towards human dopamine receptor D4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank