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 10 hits for monomerid = 50095890   

TargetHistamine H1 receptor(Homo sapiens (Human))
Prestwick Chemical

Curated by ChEMBL
LigandPNGBDBM50095890(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)
Affinity DataKi:  19nMAssay Description:Binding affinity towards human histamine H1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Homo sapiens (Human))
Prestwick Chemical

Curated by ChEMBL
LigandPNGBDBM50095890(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)
Affinity DataKi:  58nMAssay Description:Binding affinity towards human alpha-1 adrenergic receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetAlpha-2A/Alpha-2B/Alpha-2C adrenergic receptor(Homo sapiens (Human))
Prestwick Chemical

Curated by ChEMBL
LigandPNGBDBM50095890(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)
Affinity DataKi:  87nMAssay Description:Inhibition of currents elicited by GABA at EC5 (6-12 uM)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Prestwick Chemical

Curated by ChEMBL
LigandPNGBDBM50095890(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)
Affinity DataKi:  120nMAssay Description:Binding affinity towards human serotonin 5-hydroxytryptamine 2A receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(2) dopamine receptor(Homo sapiens (Human))
Prestwick Chemical

Curated by ChEMBL
LigandPNGBDBM50095890(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)
Affinity DataKi:  310nMAssay Description:Binding affinity towards human Dopamine receptor D2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetD(3) dopamine receptor(Homo sapiens (Human))
Prestwick Chemical

Curated by ChEMBL
LigandPNGBDBM50095890(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)
Affinity DataKi:  650nMAssay Description:Binding affinity towards human Dopamine receptor D3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMuscarinic acetylcholine receptor M1/M2/M3/M4/M5(Homo sapiens (Human))
Prestwick Chemical

Curated by ChEMBL
LigandPNGBDBM50095890(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)
Affinity DataKi:  1.02E+3nMAssay Description:Binding affinity towards human muscarinic receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetD(4) dopamine receptor(Homo sapiens (Human))
Prestwick Chemical

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-4.2 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
Prestwick Chemical

Curated by ChEMBL
LigandPNGBDBM50095890(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)
Affinity DataKi:  3.82E+3nMAssay Description:Binding affinity towards human serotonin 5-hydroxytryptamine 2C receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetD(1A) dopamine receptor(Homo sapiens (Human))
Prestwick Chemical

Curated by ChEMBL
LigandPNGBDBM50095890(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)
Affinity DataKi:  4.24E+3nMAssay Description:Binding affinity towards human Dopamine receptor D1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank