BindingDB BDBM50130293 7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}-3,4-dihydroquinolin-2(1H)-one::ARIPIPRAZOLE::CHEMBL1112::US10174011, aripiprazole::US10752588, Compound Aripiprazole::US11498896, Compound Aripiprazole::US9018213, aripprazole::US9156822, Aripiprazole

BDBM50130293 7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}-3,4-dihydroquinolin-2(1H)-one::ARIPIPRAZOLE::CHEMBL1112::US10174011, aripiprazole::US10752588, Compound Aripiprazole::US11498896, Compound Aripiprazole::US9018213, aripprazole::US9156822, Aripiprazole

SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl

InChI Key InChIKey=CEUORZQYGODEFX-UHFFFAOYSA-N

Data 273 KI 38 IC50 35 EC50

PDB links: 5 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50130293

5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Shanghai Institute of Material Medica, Chinese Academy of Sciences

US Patent

BDBM50130293(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)

EC50: 1.88E+3nMAssay Description:The 5-HT1A receptor agonism activity test (The agonism activity of test compounds on 5-HT1A receptor expressing human recombinant 5-HT1A receptor in ...More data for this Ligand-Target Pair

PDB Reactome pathway
UniProtKB/SwissProt
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3D Structure (crystal)

5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Shanghai Institute of Material Medica, Chinese Academy of Sciences

US Patent

BDBM50130293(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)

IC50: 2.79E+3nMAssay Description:The 5-HT2A receptor antagonism activity test (The antagonism activity of test compounds on 5-HT2A receptor expressing human recombinant 5-HT2A recept...More data for this Ligand-Target Pair

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D(2) dopamine receptor(Homo sapiens (Human))
Shanghai Institute of Material Medica, Chinese Academy of Sciences

US Patent

BDBM50130293(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)

IC50: 10.1nMAssay Description:The D2 receptor agonism activity test (The agonism activity of test compounds on D2 receptor expressing human recombinant D2 receptor in HEK293 cells...More data for this Ligand-Target Pair

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Filter my 346 hits

Targets 56▿
- D(2) dopamine receptor 86
- 5-hydroxytryptamine receptor 2A 36
- D(3) dopamine receptor 30
- 5-hydroxytryptamine receptor 1A 27
- 5-hydroxytryptamine receptor 2C 22
- D(4) dopamine receptor 16
- Histamine H1 receptor 12
- 5-hydroxytryptamine receptor 7 12
- D(1A) dopamine receptor 11
- 5-hydroxytryptamine receptor 6 9
- Potassium voltage-gated channel subfamily H member 2 9
- Sodium-dependent serotonin transporter 7
- Alpha-1A adrenergic receptor 7
- 5-hydroxytryptamine receptor 2B 5
- D(1B) dopamine receptor 5
- Alpha-2C adrenergic receptor 3
- Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor 3
- Muscarinic acetylcholine receptor M3 3
- Gamma-aminobutyric acid receptor subunit alpha-1 2
- Histamine H3 receptor 2
- Alpha-2B adrenergic receptor 2
- 5-hydroxytryptamine receptor 3A 2
- Alpha-2A adrenergic receptor 2
- Prostaglandin E2 receptor EP4 subtype 1
- Solute carrier family 22 member 2 1
- Gamma-aminobutyric acid type B receptor subunit 1 1
- Prostaglandin E2 receptor EP3 subtype 1
- Muscarinic acetylcholine receptor M5 1
- Glutamate receptor ionotropic, NMDA 1 1
- Sodium-dependent noradrenaline transporter 1
- Muscarinic acetylcholine receptor M4 1
- Muscarinic acetylcholine receptor M2 1
- Histamine H4 receptor 1
- Muscarinic acetylcholine receptor M1 1
- Beta-2 adrenergic receptor 1
- ATP-dependent translocase ABCB1 1
- Beta-1 adrenergic receptor 1
- Kappa-type opioid receptor 1
- 5-hydroxytryptamine receptor 1B 1
- Multidrug and toxin extrusion protein 2 1
- Delta-type opioid receptor 1
- 5-hydroxytryptamine receptor 1E 1
- 5-hydroxytryptamine receptor 1D 1
- Mu-type opioid receptor 1
- 5-hydroxytryptamine receptor 5A 1
- Multidrug and toxin extrusion protein 1 1
- Protein kinase C gamma type 1
- Sodium-dependent dopamine transporter 1
- Protein kinase C alpha type 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
- Alpha-1B adrenergic receptor 1
- Histone H1.0 1
- Bile salt export pump 1
- Histamine H2 receptor 1
- ...
Publications 50▿
- Neuropsychopharmacology 28: 1400-11 (2003) 53
- J Med Chem 64: 17239-17258 (2021) 18
- J Med Chem 60: 2908-2929 (2017) 16
- J Med Chem 50: 5103-8 (2007) 12
- Neuropsychopharmacology 20: 612-27 (1999) 11
- Neuropsychopharmacology 28: 519-26 (2003) 11
- J Med Chem 60: 4693-4713 (2017) 10
- Bioorg Med Chem Lett 40: (2021) 10
- Bioorg Med Chem 24: 3464-71 (2016) 10
- US Patent US9156822 (2015) 10
- Eur J Med Chem 207: (2020) 9
- Bioorg Med Chem 30: (2021) 8
- J Med Chem 57: 4861-75 (2014) 8
- Eur J Med Chem 214: (2021) 8
- Eur J Med Chem 227: (2022) 7
- Bioorg Med Chem Lett 26: 3141-7 (2016) 7
- Eur J Med Chem 60: 42-50 (2013) 7
- Bioorg Med Chem 25: 5613-5628 (2017) 7
- US Patent US8598119 (2013) 6
- Eur J Med Chem 232: (2022) 6
- J Med Chem 52: 151-69 (2009) 6
- J Med Chem 60: 2890-2907 (2017) 6
- Bioorg Med Chem Lett 28: 606-611 (2018) 6
- J Med Chem 53: 4803-7 (2010) 5
- J Med Chem 57: 9578-97 (2014) 5
- Eur J Med Chem 145: 790-804 (2018) 5
- Eur J Med Chem 145: 74-85 (2018) 5
- Toxicol Sci 136: 216-41 (2013) 4
- Bioorg Med Chem 23: 6195-209 (2015) 4
- Bioorg Med Chem Lett 20: 5666-9 (2010) 4
- Bioorg Med Chem Lett 21: 2621-5 (2011) 3
- Bioorg Med Chem 19: 3502-11 (2011) 3
- US Patent US10174011 (2019) 3
- Eur J Med Chem 183: (2019) 3
- J Med Chem 56: 781-95 (2013) 3
- J Pharmacol Exp Ther 315: 1278-87 (2005) 3
- J Pharmacol Exp Ther 274: 329-36 (1995) 3
- J Med Chem 58: 5361-80 (2015) 3
- J Med Chem 55: 7141-53 (2012) 3
- Bioorg Med Chem Lett 31: (2021) 2
- US Patent US8993575 (2015) 2
- Bioorg Med Chem Lett 29: (2019) 2
- Bioorg Med Chem Lett 20: 5431-3 (2010) 2
- J Med Chem 64: 15313-15333 (2021) 2
- US Patent US9018213 (2015) 2
- Bioorg Med Chem Lett 23: 543-7 (2012) 2
- J Med Chem 54: 6305-18 (2011) 2
- J Med Chem 53: 2510-20 (2010) 2
- J Med Chem 61: 9841-9878 (2018) 2
- Bioorg Med Chem 18: 1925-35 (2010) 2
Institutions 38▿
- Case Western Reserve University 64
- Florida A&M University 26
- Friedrich-Alexander University Erlangen-N£Rnberg 23
- Shanghaitech University 20
- Shanghai Institute Of Materia Medica 12
- Solvay Pharma 12
- Friedrich-Alexander University 12
- Jagiellonian University Medical College 12
- University of North Carolina 11
- Huazhong University Of Science And Technology 10
- University of North Carolina At Chapel Hill 10
- Friedrich-Alexander University Erlangen-Nuernberg 10
- National Institute On Drug Abuse-Intramural Research Program 9
- Cracow University Of Technology 9
- Jiangsu Ocean University 9
- Pfizer 7
- Czech Republic 6
- University Of Chinese Academy Of Sciences 6
- University Of Siena 6
- Intra-Cellular Therapies 6
- Universita Di Siena 5
- Universit£ 5
- Amgen 4
- Huazhong University of Science & Technology 4
- University Of North Carolina At Chapel Hill 3
- Acadia Pharmaceuticals 3
- Shanghai Institute of Material Medica, Chinese Academy of Sciences 3
- University Of California 3
- Third Tokushima Institute of New Drug Research 3
- Washington University 3
- Medical University Of Warsaw 3
- National Institute On Drug Abuse - Intramural Research Program 2
- Universidade Federal Do Rio Grande Do Sul 2
- Astrazeneca 2
- Shanghai Institute Of Pharmaceutical Industry 2
- Green Cross 2
- University Of Copenhagen 2
- Neurosearch Sweden 2
Affinity: 0.20 to 6.3E+5 nM▿
- Ki 273
- IC50 38
- EC50 35
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 0
Catalog Cmpds: 1