BindingDB

null

SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1

InChI Key InChIKey=QWCRAEMEVRGPNT-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50001859

5-hydroxytryptamine receptor 1A(Rattus norvegicus (rat))
Merrell Dow Research Institute

Curated by ChEMBL

BDBM50001859((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...)copy SMILEScopy InChI

IC50: 22nMAssay Description:Binding affinity towards 5-hydroxytryptamine 1A receptor in rat brain membrane using [3H]8-OH-DPAT as a selective ligand.More data for this Ligand-Target Pair

PDB KEGG
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BindingDB Entry DOI: 10.7270/Q20Z74K6PubMed

5-hydroxytryptamine receptor 1B(Rattus norvegicus (Rat))
Merrell Dow Research Institute

Curated by ChEMBL

BDBM50001859((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...)copy SMILEScopy InChI

IC50: 1.26E+4nMAssay Description:Binding affinity against 5-HT1B receptor in rat frontal cortex using [3H]-5-HT in presence of 0.1 uM [3H]-8-OH-DPAT as a radioligandMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
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BindingDB Entry DOI: 10.7270/Q20Z74K6PubMed

Serotonin 2 (5-HT2) receptor(RAT)
Merrell Dow Research Institute

Curated by ChEMBL

BDBM50001859((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...)copy SMILEScopy InChI

IC50: 3.39E+3nMAssay Description:Binding affinity towards 5-hydroxytryptamine 2 receptor in rat frontal cortexMore data for this Ligand-Target Pair

PDB
UniProtKB/SwissProt
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BindingDB Entry DOI: 10.7270/Q20Z74K6PubMed

Targets 30 ▿
- 5-hydroxytryptamine receptor 1A 92
- D(2) dopamine receptor 25
- 5-hydroxytryptamine receptor 2A 10
- 5-hydroxytryptamine receptor 2C 6
- Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor 5
- Serotonin 2 (5-HT2) receptor 5
- Sigma non-opioid intracellular receptor 1 4
- 5-hydroxytryptamine receptor 1B 4
- D(1A) dopamine receptor 4
- Bile salt export pump 4
- 5-hydroxytryptamine receptor 7 3
- D(4) dopamine receptor 2
- Alpha-1A adrenergic receptor 2
- Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor 2
- 5-hydroxytryptamine receptor 3A 2
- Sodium-dependent serotonin transporter 1
- 5-hydroxytryptamine receptor 1A/1B/1D/1F 1
- Solute carrier family 22 member 2 1
- Multidrug and toxin extrusion protein 1 1
- Beta-1/Beta-2/Beta-3 adrenergic receptor 1
- Potassium voltage-gated channel subfamily H member 2 1
- 5-hydroxytryptamine receptor 1A/1B/1D/1F/2A/2B/2C/3A/3B/4/5A/5B/6/7 1
- D(3) dopamine receptor 1
- Multidrug and toxin extrusion protein 2 1
- 5-hydroxytryptamine receptor 2B 1
- 5-hydroxytryptamine receptor 4 1
- 5-hydroxytryptamine receptor 6 1
- 5-hydroxytryptamine receptor 1D 1
- Alpha-2A adrenergic receptor 1
- D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor 1
- ...
Publications 50 ▿
- J Med Chem 40: 952-60 (1997) 14
- Naunyn Schmiedebergs Arch Pharmacol 352: 276-82 (1995) 8
- J Med Chem 36: 1509-10 (1993) 7
- Neuropharmacology 33: 275-317 (1994) 6
- J Med Chem 37: 1779-93 (1994) 6
- Neuropharmacology 36: 621-9 (1997) 5
- J Med Chem 49: 3116-35 (2006) 4
- Bioorg Med Chem Lett 6: 689-694 (1996) 4
- J Med Chem 35: 552-8 (1992) 4
- J Med Chem 39: 4285-98 (1996) 3
- US Patent US10562853 (2020) 3
- J Med Chem 29: 1476-82 (1986) 3
- J Med Chem 61: 2166-2210 (2018) 3
- J Med Chem 38: 942-9 (1995) 3
- J Med Chem 56: 781-95 (2013) 3
- J Med Chem 54: 3206-21 (2011) 3
- J Med Chem 39: 4928-34 (1997) 3
- J Med Chem 39: 4439-50 (1996) 3
- J Med Chem 31: 1087-93 (1988) 3
- J Med Chem 39: 3195-202 (1996) 2
- J Med Chem 37: 105-12 (1994) 2
- J Med Chem 32: 1024-33 (1989) 2
- Neuron 11: 449-58 (1993) 2
- Eur J Med Chem 179: 1-15 (2019) 2
- J Med Chem 53: 1319-28 (2010) 2
- J Med Chem 36: 2066-74 (1993) 2
- Bioorg Med Chem Lett 15: 2990-3 (2005) 2
- Nature 305: 140-2 (1983) 2
- J Med Chem 26: 194-203 (1983) 2
- Bioorg Med Chem Lett 29: (2019) 2
- Eur J Med Chem 44: 152-64 (2008) 2
- Bioorg Med Chem Lett 19: 1159-63 (2009) 2
- J Med Chem 31: 1382-92 (1988) 2
- J Med Chem 36: 3526-32 (1994) 2
- J Med Chem 38: 4198-210 (1995) 2
- J Med Chem 30: 1-12 (1987) 2
- J Med Chem 42: 5077-94 (2000) 2
- Bioorg Med Chem Lett 11: 595-8 (2001) 2
- J Med Chem 33: 633-41 (1990) 2
- J Med Chem 37: 99-104 (1994) 2
- Drug Metab Dispos 40: 130-8 (2011) 2
- Bioorg Med Chem 28: (2020) 2
- Biochem Pharmacol 45: 1003-9 (1993) 2
- J Pharmacol Exp Ther 282: 1011-9 (1997) 2
- Proc Natl Acad Sci U S A 90: 8547-51 (1993) 1
- J Med Chem 37: 4109-17 (1995) 1
- Synapse 35: 79-95 (2000) 1
- Eur J Med Chem 46: 618-30 (2011) 1
- J Med Chem 35: 1076-92 (1992) 1
- J Med Chem 31: 1968-71 (1988) 1
- ...
Institutions 41 ▿
- [Cooperation Pharmaceutique Fran�aise] 14
- [TBA] 11
- [Boehringer Ingelheim Italia] 8
- [Wyeth Research (UK)] 7
- [University of Alberta, Universit£ d'Orl£ans, Wyeth-Ayerst Research, R. W. Johnson Pharmaceutical Research Institute] 6
- [University of Alberta, Universit£ d'Orl£ans, Wyeth-Ayerst Research, R. W. Johnson Pharmaceutical Research Institute] 6
- [University of Alberta, Universit£ d'Orl£ans, Wyeth-Ayerst Research, R. W. Johnson Pharmaceutical Research Institute] 6
- [University of Alberta, Universit£ d'Orl£ans, Wyeth-Ayerst Research, R. W. Johnson Pharmaceutical Research Institute] 6
- [Roche Bioscience, Universit£ di Bari, Università di Bari] 5
- [Roche Bioscience, Universit£ di Bari, Università di Bari] 5
- [Roche Bioscience, Universit£ di Bari, Università di Bari] 5
- [Predix Pharmaceuticals Ltd.] 4
- [H. Lundbeck A/S, Upjohn Laboratories, Department of Pharmaceutical Sciences, College of Pharmacy and Health Sciences , St. John's University , Queens , New York 11439 , United States., Université d'Orléans, Merrell Dow Research Institute, University of California, NEUROLIXIS; UNIVERSITE JAGELLONE, Universidad Complutense] 3
- [H. Lundbeck A/S, Upjohn Laboratories, Department of Pharmaceutical Sciences, College of Pharmacy and Health Sciences , St. John's University , Queens , New York 11439 , United States., Université d'Orléans, Merrell Dow Research Institute, University of California, NEUROLIXIS; UNIVERSITE JAGELLONE, Universidad Complutense] 3
- [H. Lundbeck A/S, Upjohn Laboratories, Department of Pharmaceutical Sciences, College of Pharmacy and Health Sciences , St. John's University , Queens , New York 11439 , United States., Université d'Orléans, Merrell Dow Research Institute, University of California, NEUROLIXIS; UNIVERSITE JAGELLONE, Universidad Complutense] 3
- [H. Lundbeck A/S, Upjohn Laboratories, Department of Pharmaceutical Sciences, College of Pharmacy and Health Sciences , St. John's University , Queens , New York 11439 , United States., Université d'Orléans, Merrell Dow Research Institute, University of California, NEUROLIXIS; UNIVERSITE JAGELLONE, Universidad Complutense] 3
- [H. Lundbeck A/S, Upjohn Laboratories, Department of Pharmaceutical Sciences, College of Pharmacy and Health Sciences , St. John's University , Queens , New York 11439 , United States., Université d'Orléans, Merrell Dow Research Institute, University of California, NEUROLIXIS; UNIVERSITE JAGELLONE, Universidad Complutense] 3
- [H. Lundbeck A/S, Upjohn Laboratories, Department of Pharmaceutical Sciences, College of Pharmacy and Health Sciences , St. John's University , Queens , New York 11439 , United States., Université d'Orléans, Merrell Dow Research Institute, University of California, NEUROLIXIS; UNIVERSITE JAGELLONE, Universidad Complutense] 3
- [H. Lundbeck A/S, Upjohn Laboratories, Department of Pharmaceutical Sciences, College of Pharmacy and Health Sciences , St. John's University , Queens , New York 11439 , United States., Université d'Orléans, Merrell Dow Research Institute, University of California, NEUROLIXIS; UNIVERSITE JAGELLONE, Universidad Complutense] 3
- [H. Lundbeck A/S, Upjohn Laboratories, Department of Pharmaceutical Sciences, College of Pharmacy and Health Sciences , St. John's University , Queens , New York 11439 , United States., Université d'Orléans, Merrell Dow Research Institute, University of California, NEUROLIXIS; UNIVERSITE JAGELLONE, Universidad Complutense] 3
- [Abbott Laboratories, Chinese Academy of Sciences, Daiichi Suntory Biomedical Research Co., Ltd, INSERM U. 114, The Scripps Research Institute, Neurogen Corporation, Cracow University of Technology, Pfizer Global Research and Development, Northeastern University, Syntex Research, University of Canterbury, Suntory Biomedical Research Limited, AstraZeneca, Institute of Pharmacology of the Polish Academy of Sciences, Polish Academy of Sciences, Asahi Chemical Industry Company, Ltd.] 2
- [Abbott Laboratories, Chinese Academy of Sciences, Daiichi Suntory Biomedical Research Co., Ltd, INSERM U. 114, The Scripps Research Institute, Neurogen Corporation, Cracow University of Technology, Pfizer Global Research and Development, Northeastern University, Syntex Research, University of Canterbury, Suntory Biomedical Research Limited, AstraZeneca, Institute of Pharmacology of the Polish Academy of Sciences, Polish Academy of Sciences, Asahi Chemical Industry Company, Ltd.] 2
- [Abbott Laboratories, Chinese Academy of Sciences, Daiichi Suntory Biomedical Research Co., Ltd, INSERM U. 114, The Scripps Research Institute, Neurogen Corporation, Cracow University of Technology, Pfizer Global Research and Development, Northeastern University, Syntex Research, University of Canterbury, Suntory Biomedical Research Limited, AstraZeneca, Institute of Pharmacology of the Polish Academy of Sciences, Polish Academy of Sciences, Asahi Chemical Industry Company, Ltd.] 2
- [Abbott Laboratories, Chinese Academy of Sciences, Daiichi Suntory Biomedical Research Co., Ltd, INSERM U. 114, The Scripps Research Institute, Neurogen Corporation, Cracow University of Technology, Pfizer Global Research and Development, Northeastern University, Syntex Research, University of Canterbury, Suntory Biomedical Research Limited, AstraZeneca, Institute of Pharmacology of the Polish Academy of Sciences, Polish Academy of Sciences, Asahi Chemical Industry Company, Ltd.] 2
- [Abbott Laboratories, Chinese Academy of Sciences, Daiichi Suntory Biomedical Research Co., Ltd, INSERM U. 114, The Scripps Research Institute, Neurogen Corporation, Cracow University of Technology, Pfizer Global Research and Development, Northeastern University, Syntex Research, University of Canterbury, Suntory Biomedical Research Limited, AstraZeneca, Institute of Pharmacology of the Polish Academy of Sciences, Polish Academy of Sciences, Asahi Chemical Industry Company, Ltd.] 2
- [Abbott Laboratories, Chinese Academy of Sciences, Daiichi Suntory Biomedical Research Co., Ltd, INSERM U. 114, The Scripps Research Institute, Neurogen Corporation, Cracow University of Technology, Pfizer Global Research and Development, Northeastern University, Syntex Research, University of Canterbury, Suntory Biomedical Research Limited, AstraZeneca, Institute of Pharmacology of the Polish Academy of Sciences, Polish Academy of Sciences, Asahi Chemical Industry Company, Ltd.] 2
- [Abbott Laboratories, Chinese Academy of Sciences, Daiichi Suntory Biomedical Research Co., Ltd, INSERM U. 114, The Scripps Research Institute, Neurogen Corporation, Cracow University of Technology, Pfizer Global Research and Development, Northeastern University, Syntex Research, University of Canterbury, Suntory Biomedical Research Limited, AstraZeneca, Institute of Pharmacology of the Polish Academy of Sciences, Polish Academy of Sciences, Asahi Chemical Industry Company, Ltd.] 2
- [Abbott Laboratories, Chinese Academy of Sciences, Daiichi Suntory Biomedical Research Co., Ltd, INSERM U. 114, The Scripps Research Institute, Neurogen Corporation, Cracow University of Technology, Pfizer Global Research and Development, Northeastern University, Syntex Research, University of Canterbury, Suntory Biomedical Research Limited, AstraZeneca, Institute of Pharmacology of the Polish Academy of Sciences, Polish Academy of Sciences, Asahi Chemical Industry Company, Ltd.] 2
- [Abbott Laboratories, Chinese Academy of Sciences, Daiichi Suntory Biomedical Research Co., Ltd, INSERM U. 114, The Scripps Research Institute, Neurogen Corporation, Cracow University of Technology, Pfizer Global Research and Development, Northeastern University, Syntex Research, University of Canterbury, Suntory Biomedical Research Limited, AstraZeneca, Institute of Pharmacology of the Polish Academy of Sciences, Polish Academy of Sciences, Asahi Chemical Industry Company, Ltd.] 2
- [Abbott Laboratories, Chinese Academy of Sciences, Daiichi Suntory Biomedical Research Co., Ltd, INSERM U. 114, The Scripps Research Institute, Neurogen Corporation, Cracow University of Technology, Pfizer Global Research and Development, Northeastern University, Syntex Research, University of Canterbury, Suntory Biomedical Research Limited, AstraZeneca, Institute of Pharmacology of the Polish Academy of Sciences, Polish Academy of Sciences, Asahi Chemical Industry Company, Ltd.] 2
- [Abbott Laboratories, Chinese Academy of Sciences, Daiichi Suntory Biomedical Research Co., Ltd, INSERM U. 114, The Scripps Research Institute, Neurogen Corporation, Cracow University of Technology, Pfizer Global Research and Development, Northeastern University, Syntex Research, University of Canterbury, Suntory Biomedical Research Limited, AstraZeneca, Institute of Pharmacology of the Polish Academy of Sciences, Polish Academy of Sciences, Asahi Chemical Industry Company, Ltd.] 2
- [Abbott Laboratories, Chinese Academy of Sciences, Daiichi Suntory Biomedical Research Co., Ltd, INSERM U. 114, The Scripps Research Institute, Neurogen Corporation, Cracow University of Technology, Pfizer Global Research and Development, Northeastern University, Syntex Research, University of Canterbury, Suntory Biomedical Research Limited, AstraZeneca, Institute of Pharmacology of the Polish Academy of Sciences, Polish Academy of Sciences, Asahi Chemical Industry Company, Ltd.] 2
- [Abbott Laboratories, Chinese Academy of Sciences, Daiichi Suntory Biomedical Research Co., Ltd, INSERM U. 114, The Scripps Research Institute, Neurogen Corporation, Cracow University of Technology, Pfizer Global Research and Development, Northeastern University, Syntex Research, University of Canterbury, Suntory Biomedical Research Limited, AstraZeneca, Institute of Pharmacology of the Polish Academy of Sciences, Polish Academy of Sciences, Asahi Chemical Industry Company, Ltd.] 2
- [Abbott Laboratories, Chinese Academy of Sciences, Daiichi Suntory Biomedical Research Co., Ltd, INSERM U. 114, The Scripps Research Institute, Neurogen Corporation, Cracow University of Technology, Pfizer Global Research and Development, Northeastern University, Syntex Research, University of Canterbury, Suntory Biomedical Research Limited, AstraZeneca, Institute of Pharmacology of the Polish Academy of Sciences, Polish Academy of Sciences, Asahi Chemical Industry Company, Ltd.] 2
- [Abbott Laboratories, Chinese Academy of Sciences, Daiichi Suntory Biomedical Research Co., Ltd, INSERM U. 114, The Scripps Research Institute, Neurogen Corporation, Cracow University of Technology, Pfizer Global Research and Development, Northeastern University, Syntex Research, University of Canterbury, Suntory Biomedical Research Limited, AstraZeneca, Institute of Pharmacology of the Polish Academy of Sciences, Polish Academy of Sciences, Asahi Chemical Industry Company, Ltd.] 2
- [Abbott Laboratories, Chinese Academy of Sciences, Daiichi Suntory Biomedical Research Co., Ltd, INSERM U. 114, The Scripps Research Institute, Neurogen Corporation, Cracow University of Technology, Pfizer Global Research and Development, Northeastern University, Syntex Research, University of Canterbury, Suntory Biomedical Research Limited, AstraZeneca, Institute of Pharmacology of the Polish Academy of Sciences, Polish Academy of Sciences, Asahi Chemical Industry Company, Ltd.] 2
- [U. 109, University of North Carolina, Virginia Commonwealth University, Institut de Recherches Servier, Centre de Recherches de Croissy, TCG Lifesciences Ltd.] 1
- [U. 109, University of North Carolina, Virginia Commonwealth University, Institut de Recherches Servier, Centre de Recherches de Croissy, TCG Lifesciences Ltd.] 1
- [U. 109, University of North Carolina, Virginia Commonwealth University, Institut de Recherches Servier, Centre de Recherches de Croissy, TCG Lifesciences Ltd.] 1
- [U. 109, University of North Carolina, Virginia Commonwealth University, Institut de Recherches Servier, Centre de Recherches de Croissy, TCG Lifesciences Ltd.] 1
- [U. 109, University of North Carolina, Virginia Commonwealth University, Institut de Recherches Servier, Centre de Recherches de Croissy, TCG Lifesciences Ltd.] 1
- ...
Affinity: 3.1 to 3.7E+5 nM▿
- Ki 122
- IC50 54
- EC50 9
- Affinity ≤ nM
Xtal structures: 0
Docked structures: 0
Catalog Cmpds: 1