BindingDB

null

SMILES OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1

InChI Key InChIKey=PLDUPXSUYLZYBN-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 78433

Bile salt export pump(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL

BDBM78433(2-[4-[3-[2-(trifluoromethyl)-10-phenothiazinyl]pro...)copy SMILEScopy InChI

IC50: 2.58E+4nMAssay Description:Ability to inhibit HMG-CoA reductase (HMGR) by CoA reductase inhibition screen (COR) in ratsMore data for this Ligand-Target Pair

PDB
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Details Article
BindingDB Entry DOI: 10.7270/Q2ZP488MPubMed

Bile salt export pump(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL

BDBM78433(2-[4-[3-[2-(trifluoromethyl)-10-phenothiazinyl]pro...)copy SMILEScopy InChI

IC50: 8.73E+4nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair

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antibodypedia GoogleScholar

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Details Article
BindingDB Entry DOI: 10.7270/Q2JM2D2DPubMed

Targets 42 ▿
- D(2) dopamine receptor 23
- D(1A) dopamine receptor 11
- 5-hydroxytryptamine receptor 2A 7
- D(3) dopamine receptor 6
- 5-hydroxytryptamine receptor 2C 6
- Histamine H1 receptor 5
- D(4) dopamine receptor 4
- 5-hydroxytryptamine receptor 6 4
- Alpha-2A adrenergic receptor 4
- Alpha-1A adrenergic receptor 3
- 5-hydroxytryptamine receptor 7 3
- ATP-dependent translocase ABCB1 3
- Alpha-2C adrenergic receptor 2
- Potassium channel subfamily K member 2 2
- Dopamine receptor D4 2
- Alpha-2B adrenergic receptor 2
- 5-hydroxytryptamine receptor 1A 2
- D(1B) dopamine receptor 2
- Muscarinic acetylcholine receptor M2 2
- Spike glycoprotein 2
- Bile salt export pump 2
- Ubiquitin-conjugating enzyme E2 N 2
- Pleiotropic ABC efflux transporter of multiple drugs 1
- Solute carrier family 22 member 1 1
- Sigma non-opioid intracellular receptor 1 1
- Histamine H3 receptor 1
- Replicase polyprotein 1ab 1
- Muscarinic acetylcholine receptor M3 1
- Adenylate cyclase type 1/Adenylate cyclase type 2/Adenylate cyclase type 3/Adenylate cyclase type 4/Adenylate cyclase type 5/Adenylate cyclase type 6/Adenylate cyclase type 8/Adenylyl cyclase 7 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
- Bcl-2-related protein A1 1
- Orf1a protein 1
- Androgen receptor 1
- 5-hydroxytryptamine receptor 3A 1
- Mitochondrial import inner membrane translocase subunit TIM10 1
- NADPH oxidase 1 1
- 5-hydroxytryptamine receptor 1A/1B/1D/2C 1
- Sodium channel protein type 1/2/3 subunit alpha 1
- Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 1
- Trypanothione reductase 1
- ...
Publications 46 ▿
- Neuropsychopharmacology 28: 519-26 (2003) 12
- NIDA Res Monogr 178: 440-66 (1998) 7
- Ann N Y Acad Sci 537: 435-42 (1988) 7
- Mol Pharmacol 12: 800-12 (1976) 7
- Bioorg Med Chem Lett 19: 538-42 (2008) 6
- J Neuropsychiatry Clin Neurosci 8: 223-6 (1996) 5
- J Pharmacol Exp Ther 268: 1403-10 (1994) 5
- J Pharmacol Exp Ther 315: 1278-87 (2005) 5
- Eur J Pharmacol 103: 197-204 (1984) 5
- Med Res Rev (2020) 4
- Toxicol Sci 136: 216-41 (2013) 4
- Psychopharmacology (Berl) 120: 365-8 (1995) 3
- Biochem Biophys Res Commun 289: 580-5 (2001) 3
- Mol Psychiatry 3: 123-34 (1998) 3
- J Pharmacol Exp Ther 259: 323-9 (1991) 3
- Neuropsychopharmacology 16: 93 (1997) 3
- Synapse 25: 137-46 (1997) 2
- Nature 350: 610-4 (1991) 2
- Br J Pharmacol 130: 692-8 (2000) 2
- Eur J Pharmacol 146: 113-20 (1988) 2
- J Pharmacol Exp Ther 260: 1361-5 (1992) 2
- Life Sci 37: 1971-83 (1985) 2
- Nature 350: 614-9 (1991) 2
- J Pharmacol Exp Ther 295: 226-32 (2000) 1
- J Med Chem 41: 148-56 (1998) 1
- PubChem Bioassay (2011) 1
- Antimicrob Agents Chemother 53: 1516-27 (2009) 1
- Synapse 38: 438-49 (2000) 1
- Chem Biol Drug Des 88: 807-819 (2016) 1
- PubChem Bioassay (2011) 1
- PubChem Bioassay (2011) 1
- J Med Chem 63: 1937-1963 (2020) 1
- J Med Chem 59: 5149-57 (2016) 1
- J Med Chem 29: 1628-37 (1986) 1
- Drug Metab Dispos 40: 2332-41 (2012) 1
- Life Sci 35: 1885-93 (1984) 1
- J Med Chem 28: 381-8 (1985) 1
- J Pharmacol Exp Ther 264: 1002-11 (1993) 1
- PubChem Bioassay (2010) 1
- Proc Natl Acad Sci U S A 75: 6290-4 (1978) 1
- Proc Natl Acad Sci U S A 81: 4983-7 (1984) 1
- J Med Chem 51: 5932-42 (2008) 1
- J Neurochem 66: 47-56 (1996) 1
- Proc Natl Acad Sci USA 104: 11927-32 (2007) 1
- PubChem Bioassay (2010) 1
- J Pharmacol Exp Ther 253: 214-20 (1990) 1
Institutions 31 ▿
- [Case Western Reserve University] 20
- [TBA] 16
- [Mayo Clinic and Foundation, University of Toronto] 12
- [Mayo Clinic and Foundation, University of Toronto] 12
- [SRI International] 7
- [Johann Wolfgang Goethe Universit£t] 6
- [ACADIA Pharmaceuticals] 5
- [Burnham Center for Chemical Genomics, University of Bonn, Amgen Inc] 4
- [Burnham Center for Chemical Genomics, University of Bonn, Amgen Inc] 4
- [Burnham Center for Chemical Genomics, University of Bonn, Amgen Inc] 4
- [University of Nebraska, Schering-Plough Research Institute] 3
- [University of Nebraska, Schering-Plough Research Institute] 3
- [Friedrich-Schiller-University Jena, NOVO Industri A/S, Université Catholique de Louvain, Stanford University ] 2
- [Friedrich-Schiller-University Jena, NOVO Industri A/S, Université Catholique de Louvain, Stanford University ] 2
- [Friedrich-Schiller-University Jena, NOVO Industri A/S, Université Catholique de Louvain, Stanford University ] 2
- [Friedrich-Schiller-University Jena, NOVO Industri A/S, Université Catholique de Louvain, Stanford University ] 2
- [Wroclaw Medical University, Uppsala University, Albany Medical College, University of North Texas, University of Pennsylvania, The Scripps Research Institute, University of Nebraska , The Scripps Research Institute Molecular Screening Center, Schering-Plough Corporation, University of Manchester, University of Washington, Korea Institute of Science and Technology, AstraZeneca, University of Chemistry and Technology Prague, Universit£ Clermont Auvergne] 1
- [Wroclaw Medical University, Uppsala University, Albany Medical College, University of North Texas, University of Pennsylvania, The Scripps Research Institute, University of Nebraska , The Scripps Research Institute Molecular Screening Center, Schering-Plough Corporation, University of Manchester, University of Washington, Korea Institute of Science and Technology, AstraZeneca, University of Chemistry and Technology Prague, Universit£ Clermont Auvergne] 1
- [Wroclaw Medical University, Uppsala University, Albany Medical College, University of North Texas, University of Pennsylvania, The Scripps Research Institute, University of Nebraska , The Scripps Research Institute Molecular Screening Center, Schering-Plough Corporation, University of Manchester, University of Washington, Korea Institute of Science and Technology, AstraZeneca, University of Chemistry and Technology Prague, Universit£ Clermont Auvergne] 1
- [Wroclaw Medical University, Uppsala University, Albany Medical College, University of North Texas, University of Pennsylvania, The Scripps Research Institute, University of Nebraska , The Scripps Research Institute Molecular Screening Center, Schering-Plough Corporation, University of Manchester, University of Washington, Korea Institute of Science and Technology, AstraZeneca, University of Chemistry and Technology Prague, Universit£ Clermont Auvergne] 1
- [Wroclaw Medical University, Uppsala University, Albany Medical College, University of North Texas, University of Pennsylvania, The Scripps Research Institute, University of Nebraska , The Scripps Research Institute Molecular Screening Center, Schering-Plough Corporation, University of Manchester, University of Washington, Korea Institute of Science and Technology, AstraZeneca, University of Chemistry and Technology Prague, Universit£ Clermont Auvergne] 1
- [Wroclaw Medical University, Uppsala University, Albany Medical College, University of North Texas, University of Pennsylvania, The Scripps Research Institute, University of Nebraska , The Scripps Research Institute Molecular Screening Center, Schering-Plough Corporation, University of Manchester, University of Washington, Korea Institute of Science and Technology, AstraZeneca, University of Chemistry and Technology Prague, Universit£ Clermont Auvergne] 1
- [Wroclaw Medical University, Uppsala University, Albany Medical College, University of North Texas, University of Pennsylvania, The Scripps Research Institute, University of Nebraska , The Scripps Research Institute Molecular Screening Center, Schering-Plough Corporation, University of Manchester, University of Washington, Korea Institute of Science and Technology, AstraZeneca, University of Chemistry and Technology Prague, Universit£ Clermont Auvergne] 1
- [Wroclaw Medical University, Uppsala University, Albany Medical College, University of North Texas, University of Pennsylvania, The Scripps Research Institute, University of Nebraska , The Scripps Research Institute Molecular Screening Center, Schering-Plough Corporation, University of Manchester, University of Washington, Korea Institute of Science and Technology, AstraZeneca, University of Chemistry and Technology Prague, Universit£ Clermont Auvergne] 1
- [Wroclaw Medical University, Uppsala University, Albany Medical College, University of North Texas, University of Pennsylvania, The Scripps Research Institute, University of Nebraska , The Scripps Research Institute Molecular Screening Center, Schering-Plough Corporation, University of Manchester, University of Washington, Korea Institute of Science and Technology, AstraZeneca, University of Chemistry and Technology Prague, Universit£ Clermont Auvergne] 1
- [Wroclaw Medical University, Uppsala University, Albany Medical College, University of North Texas, University of Pennsylvania, The Scripps Research Institute, University of Nebraska , The Scripps Research Institute Molecular Screening Center, Schering-Plough Corporation, University of Manchester, University of Washington, Korea Institute of Science and Technology, AstraZeneca, University of Chemistry and Technology Prague, Universit£ Clermont Auvergne] 1
- [Wroclaw Medical University, Uppsala University, Albany Medical College, University of North Texas, University of Pennsylvania, The Scripps Research Institute, University of Nebraska , The Scripps Research Institute Molecular Screening Center, Schering-Plough Corporation, University of Manchester, University of Washington, Korea Institute of Science and Technology, AstraZeneca, University of Chemistry and Technology Prague, Universit£ Clermont Auvergne] 1
- [Wroclaw Medical University, Uppsala University, Albany Medical College, University of North Texas, University of Pennsylvania, The Scripps Research Institute, University of Nebraska , The Scripps Research Institute Molecular Screening Center, Schering-Plough Corporation, University of Manchester, University of Washington, Korea Institute of Science and Technology, AstraZeneca, University of Chemistry and Technology Prague, Universit£ Clermont Auvergne] 1
- [Wroclaw Medical University, Uppsala University, Albany Medical College, University of North Texas, University of Pennsylvania, The Scripps Research Institute, University of Nebraska , The Scripps Research Institute Molecular Screening Center, Schering-Plough Corporation, University of Manchester, University of Washington, Korea Institute of Science and Technology, AstraZeneca, University of Chemistry and Technology Prague, Universit£ Clermont Auvergne] 1
- [Wroclaw Medical University, Uppsala University, Albany Medical College, University of North Texas, University of Pennsylvania, The Scripps Research Institute, University of Nebraska , The Scripps Research Institute Molecular Screening Center, Schering-Plough Corporation, University of Manchester, University of Washington, Korea Institute of Science and Technology, AstraZeneca, University of Chemistry and Technology Prague, Universit£ Clermont Auvergne] 1
- [Wroclaw Medical University, Uppsala University, Albany Medical College, University of North Texas, University of Pennsylvania, The Scripps Research Institute, University of Nebraska , The Scripps Research Institute Molecular Screening Center, Schering-Plough Corporation, University of Manchester, University of Washington, Korea Institute of Science and Technology, AstraZeneca, University of Chemistry and Technology Prague, Universit£ Clermont Auvergne] 1
Affinity: 0.11 to 1.3E+5 nM▿
- Ki 95
- IC50 21
- EC50 3
- Affinity ≤ nM
Xtal structures: 0
Docked structures: 0
Catalog Cmpds: 1