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:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50095890   

TargetHistamine H1 receptor(Homo sapiens (Human))
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM50095890(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)
Affinity DataKi:  2.20nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetHistamine H1 receptor(Homo sapiens (Human))
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM50095890(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)
Affinity DataKi:  8.70nMAssay Description:Binding affinity to human cloned histamine H1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetHistamine H1 receptor(RAT)
Eli Lilly

Curated by PDSP Ki Database
LigandPNGBDBM50095890(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)
Affinity DataKi:  11nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistamine H1 receptor(Homo sapiens (Human))
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM50095890(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)
Affinity DataKi:  11nMAssay Description:Binding affinity to H1 histamine receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetHistamine H1 receptor(Homo sapiens (Human))
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM50095890(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)
Affinity DataKi:  11nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetHistamine H1 receptor(Homo sapiens (Human))
Janssen Research Foundation

Curated by PDSP Ki Database
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

TargetHistamine H1 receptor(Homo sapiens (Human))
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM50095890(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)
Affinity DataKi:  19nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetHistamine H1 receptor(Cavia porcellus (domestic guinea pig))
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM50095890(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)
Affinity DataKi:  19nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistamine H1 receptor(Homo sapiens (Human))
Janssen Research Foundation

Curated by PDSP Ki Database
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

TargetHistamine H1 receptor(RAT)
Eli Lilly

Curated by PDSP Ki Database
LigandPNGBDBM50095890(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)
Affinity DataKi:  21nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistamine H1 receptor(Cavia porcellus (domestic guinea pig))
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM50095890(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)
Affinity DataKi:  40nMAssay Description:Displacement of [3H]pyrilamine from histaminergic H1 receptor guinea pig cerebellumMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistamine H1 receptor(RAT)
Eli Lilly

Curated by PDSP Ki Database
LigandPNGBDBM50095890(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)
Affinity DataIC50:  40nMAssay Description:Displacement of [3H]mepyramine from H1R in rat brainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed