BindingDB 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

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50095890

D(4) dopamine receptor(Homo sapiens (Human))
H. Lundbeck

Curated by PDSP K_i Database

BDBM50095890(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)

Ki: 500nMMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar

Purchase ChEBI
CHEMBL DrugBank MCE
KEGG PC cid PC sid Patents Similars

Details Article PubMed DrugBank

D(4) dopamine receptor(Homo sapiens (Human))
H. Lundbeck

Curated by PDSP K_i Database

BDBM50095890(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)

Ki: >1.00E+3nMAssay Description:Displacement of [3H]-YM09151-2 from human cloned dopamine D4 receptor expressed in insect Sf9 cells after 60 mins by liquid scintillation countingMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar

Purchase ChEBI
CHEMBL DrugBank MCE
KEGG PC cid PC sid Patents Similars

Details Article PubMed DrugBank

D(4) dopamine receptor(Homo sapiens (Human))
H. Lundbeck

Curated by PDSP K_i Database

BDBM50095890(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)

Ki: 1.06E+3nMMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar

Purchase ChEBI
CHEMBL DrugBank MCE
KEGG PC cid PC sid Patents Similars

Details Article PubMed DrugBank

D(4) dopamine receptor(RAT)
Case Western Reserve University

Curated by PDSP K_i Database

BDBM50095890(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)

Ki: 1.16E+3nMMore data for this Ligand-Target Pair

Reactome pathway
UniProtKB/SwissProt
GoogleScholar

Purchase ChEBI
CHEMBL DrugBank MCE
KEGG PC cid PC sid Patents Similars

Details Article PubMed

D(4) dopamine receptor(Homo sapiens (Human))
H. Lundbeck

Curated by PDSP K_i Database

BDBM50095890(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)

Ki: 1.60E+3nMMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar

Purchase ChEBI
CHEMBL DrugBank MCE
KEGG PC cid PC sid Patents Similars

Details Article PubMed DrugBank

D(4) dopamine receptor(Homo sapiens (Human))
H. Lundbeck

Curated by PDSP K_i Database

BDBM50095890(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)

Ki: 1.60E+3nMMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar

Purchase ChEBI
CHEMBL DrugBank MCE
KEGG PC cid PC sid Patents Similars

Details Article PubMed DrugBank

D(4) dopamine receptor(Homo sapiens (Human))
H. Lundbeck

Curated by PDSP K_i Database

BDBM50095890(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)

Ki: 1.60E+3nMAssay Description:Binding affinity towards human dopamine-4.2 receptorMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar

Purchase ChEBI
CHEMBL DrugBank MCE
KEGG PC cid PC sid Patents Similars

Details Article PubMed DrugBank

D(4) dopamine receptor(Homo sapiens (Human))
H. Lundbeck

Curated by PDSP K_i Database

BDBM50095890(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)

Ki: 1.60E+3nMAssay Description:Binding affinity towards human dopamine receptor D4More data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar

Purchase ChEBI
CHEMBL DrugBank MCE
KEGG PC cid PC sid Patents Similars

Details Article PubMed DrugBank

D(4) dopamine receptor(RAT)
Case Western Reserve University

Curated by PDSP K_i Database

BDBM50095890(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)

Ki: 2.00E+3nMMore data for this Ligand-Target Pair

Reactome pathway
UniProtKB/SwissProt
GoogleScholar

Purchase ChEBI
CHEMBL DrugBank MCE
KEGG PC cid PC sid Patents Similars

Details PubMed

D(4) dopamine receptor(Homo sapiens (Human))
H. Lundbeck

Curated by PDSP K_i Database

BDBM50095890(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)

Ki: 2.20E+3nMAssay Description:Binding affinity to human cloned dopamine D4 receptorMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar

Purchase ChEBI
CHEMBL DrugBank MCE
KEGG PC cid PC sid Patents Similars

Details Article PubMed DrugBank

D(4) dopamine receptor(Homo sapiens (Human))
H. Lundbeck

Curated by PDSP K_i Database

BDBM50095890(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)

Ki: 3.00E+3nMMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar

Purchase ChEBI
CHEMBL DrugBank MCE
KEGG PC cid PC sid Patents Similars

Details Article PubMed DrugBank

D(4) dopamine receptor(Homo sapiens (Human))
H. Lundbeck

Curated by PDSP K_i Database

BDBM50095890(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)

Ki: 3.00E+3nMMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar

Purchase ChEBI
CHEMBL DrugBank MCE
KEGG PC cid PC sid Patents Similars

Details Article PubMed DrugBank

Filter my 217 hits

Targets 59▿
- D(2) dopamine receptor 30
- 5-hydroxytryptamine receptor 2A 23
- D(4) dopamine receptor 12
- Histamine H1 receptor 12
- 5-hydroxytryptamine receptor 1A 12
- D(3) dopamine receptor 11
- 5-hydroxytryptamine receptor 2C 10
- D(1A) dopamine receptor 8
- Muscarinic acetylcholine receptor M1 7
- Alpha-1A adrenergic receptor 6
- Muscarinic acetylcholine receptor M2 5
- 5-hydroxytryptamine receptor 7 5
- 5-hydroxytryptamine receptor 6 5
- Alpha-2C adrenergic receptor 4
- Muscarinic acetylcholine receptor M4 4
- Muscarinic acetylcholine receptor M3 4
- Sodium-dependent serotonin transporter 3
- Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor 3
- 5-hydroxytryptamine receptor 1B 3
- Voltage-dependent L-type calcium channel subunit alpha-1C 3
- Potassium voltage-gated channel subfamily H member 2 3
- Alpha-2A adrenergic receptor 3
- Alpha-2B adrenergic receptor 2
- Muscarinic acetylcholine receptor M5 2
- 5-hydroxytryptamine receptor 3A 2
- 5-hydroxytryptamine receptor 1D 2
- Sigma non-opioid intracellular receptor 1 1
- Beta-arrestin-1 1
- Protachykinin-1 1
- Sodium channel protein type 5 subunit alpha 1
- Beta-2 adrenergic receptor 1
- 5-hydroxytryptamine 1D receptor 1
- Gastrin/cholecystokinin type B receptor 1
- Beta-1 adrenergic receptor 1
- Kappa-type opioid receptor 1
- Sodium channel protein type 10 subunit alpha 1
- Delta-type opioid receptor 1
- Dihydrofolate reductase 1
- 5-hydroxytryptamine receptor 1F 1
- 5-hydroxytryptamine receptor 1E 1
- Mu-type opioid receptor 1
- Thromboxane A2 receptor 1
- Gamma-aminobutyric acid receptor subunit alpha-1 1
- Norepinephrine transporter 1
- Neurotensin 1
- Serotonin 2 (5-HT2) receptor 1
- Sodium-dependent dopamine transporter 1
- ATP-binding cassette sub-family C member 3 1
- ATP-binding cassette sub-family C member 4 1
- ATP-binding cassette sub-family C member 2 1
- Histone H1.0 1
- Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor 1
- Cysteinyl leukotriene receptor 1 1
- 5-hydroxytryptamine receptor 2B 1
- Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 1
- D(1B) dopamine receptor 1
- Cholecystokinin 1
- Transporter 1
- Bile salt export pump 1
- ...
Publications 35▿
- Psychopharmacology (Berl) 124: 57-73 (1996) 44
- Neuropsychopharmacology 14: 87-96 (1996) 19
- Neuropsychopharmacology 18: 63-101 (1998) 18
- Eur J Pharmacol 317: 417-23 (1996) 13
- Bioorg Med Chem 16: 7291-301 (2008) 12
- Neuropsychopharmacology 28: 519-26 (2003) 12
- J Med Chem 47: 1303-14 (2004) 10
- J Med Chem 44: 477-501 (2001) 9
- Life Sci 68: 29-39 (2000) 9
- J Med Chem 50: 5103-8 (2007) 9
- US Patent US8598119 (2013) 6
- Prog Neuropsychopharmacol Biol Psychiatry 27: 1125-43 (2003) 5
- Toxicol Sci 136: 216-41 (2013) 4
- Psychopharmacology (Berl) 120: 365-8 (1995) 3
- Pharmacol Rev 53: 119-33 (2001) 3
- Mol Psychiatry 3: 123-34 (1998) 3
- Eur J Med Chem 46: 4474-88 (2011) 3
- Eur J Pharmacol 291: 59-66 (1995) 3
- Cardiovasc Res 91: 53-61 (2011) 3
- Neuropsychopharmacology 16: 93 (1997) 3
- Bioorg Med Chem 24: 3994-4007 (2016) 3
- J Med Chem 55: 1572-82 (2012) 3
- Eur J Pharmacol 450: 37-41 (2002) 3
- Bioorg Med Chem Lett 31: (2021) 2
- Bioorg Med Chem Lett 11: 1313-6 (2001) 2
- Bioorg Med Chem Lett 29: (2019) 2
- J Pharmacol Exp Ther 315: 1278-87 (2005) 2
- J Med Chem 64: 12603-12629 (2021) 2
- Eur J Med Chem 46: 618-30 (2011) 1
- J Neurochem 66: 47-56 (1996) 1
- J Med Chem 44: 372-89 (2001) 1
- J Appl Toxicol 32: 858-66 (2012) 1
- Proc Natl Acad Sci U S A 104: 3456-9 (2007) 1
- Bioorg Med Chem Lett 40: (2021) 1
- Antimicrob Agents Chemother 53: 3065-73 (2009) 1
Institutions 29▿
- Janssen Research Foundation 44
- Eli Lilly 24
- H. Lundbeck 18
- Case Western Reserve University 15
- Hoechst Marion Roussel 13
- Florida A&M University 12
- Prestwick Chemical 10
- Merck Sharp And Dohme Research Laboratories 9
- Mayo Foundation 9
- Solvay Pharma 9
- University of Toronto 9
- Intra-Cellular Therapies 6
- Medical University Of Warsaw 6
- Amgen 4
- Jagiellonian University Medical College 4
- Aventis Pharmaceuticals 3
- University of Reading 3
- University Of Li£Ge 3
- University Of Oxford 3
- Shanghai Institute Of Pharmaceutical Industry 2
- Acadia Pharmaceuticals 2
- Ucb Pharma 2
- Tcg Lifesciences 1
- The Johns Hopkins University School Of Medicine 1
- Jagiellonian University 1
- University of Washington 1
- Sumitomo Dainippon Pharma. 1
- Oklahoma State University 1
- Astrazeneca Pharmaceuticals 1
Affinity: 2.2 to 1.3E+5 nM▿
- Ki 204
- IC50 12
- EC50 1
- Affinity ≤ nM
Xtal structures: 0
Docked structures: 0
Catalog Cmpds: 1