BindingDB

null

SMILES CN(CCOc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1

InChI Key InChIKey=IXTMWRCNAAVVAI-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50031720

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

Curated by ChEMBL

BDBM50031720((Dofetilide) N-[4-(2-{[2-(4-Methanesulfonylamino-p...)copy SMILEScopy InChI

IC50: 7.08E+5nMAssay Description:In vitro binding affinity against Gamma-aminobutyric acid type B receptor in rat brain synaptic membranes at pH 7.4More data for this Ligand-Target Pair

PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar

Purchase CHEMBL DrugBank MCE
KEGG PC cid PC sid Patents

Details Article
BindingDB Entry DOI: 10.7270/Q2ZP488MPubMed

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

Curated by ChEMBL

BDBM50031720((Dofetilide) N-[4-(2-{[2-(4-Methanesulfonylamino-p...)copy SMILEScopy InChI

IC50: 1.33E+5nMAssay 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

PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar

Purchase CHEMBL DrugBank MCE
KEGG PC cid PC sid Patents

Details Article
BindingDB Entry DOI: 10.7270/Q2JM2D2DPubMed

Targets 10 ▿
- Potassium voltage-gated channel subfamily H member 2 22
- Sodium channel protein type 5 subunit alpha 3
- Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S 2
- Potassium voltage-gated channel subfamily E/KQT member 1 2
- Voltage-dependent L-type calcium channel subunit alpha-1C 2
- Bile salt export pump 2
- ATP-binding cassette sub-family C member 3 1
- Sodium channel protein type 7 subunit alpha 1
- ATP-binding cassette sub-family C member 4 1
- ATP-binding cassette sub-family C member 2 1
Publications 20 ▿
- J Pharmacol Toxicol Methods 70: 246-54 (2014) 8
- Toxicol Sci 136: 216-41 (2013) 4
- Cardiovasc Res 91: 53-61 (2011) 3
- J Med Chem 50: 2931-41 (2007) 3
- J Med Chem 38: 2551-6 (1995) 2
- Bioorg Med Chem Lett 14: 4771-7 (2004) 1
- J Med Chem 56: 2828-40 (2013) 1
- Bioorg Med Chem Lett 15: 2886-90 (2005) 1
- Bioorg Med Chem 16: 6252-60 (2008) 1
- Eur J Med Chem 43: 2479-88 (2008) 1
- J Med Chem 45: 3844-53 (2002) 1
- Bioorg Med Chem Lett 13: 1829-35 (2003) 1
- Eur J Med Chem 44: 1926-32 (2009) 1
- J Med Chem 59: 9489-9502 (2016) 1
- Drug Metab Dispos 40: 2332-41 (2012) 1
- US Patent US10167299 (2019) 1
- Sci Rep 3: (2013) 1
- J Med Chem 63: 7186-7210 (2020) 1
- J Appl Toxicol 32: 858-66 (2012) 1
- Bioorg Med Chem Lett 13: 2773-5 (2003) 1
Institutions 19 ▿
- [University of Oxford] 11
- [Amgen Inc] 4
- [Pfizer Global Research and Development] 3
- [Sterling Winthrop Research] 2
- [Chinese Academy of Sciences, Leiden University, China Pharmaceutical University, Jagiellonian University, Hoffmann-La Roche, CASMedChem Laboratory, Reverse proteomics research institute, SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES, Universit£ di Pisa, Aventis Pharmaceuticals, University of Illinois at Chicago, Gedeon Richter Ltd, AstraZeneca, University of Bologna, ChanTest Corporation] 1
- [Chinese Academy of Sciences, Leiden University, China Pharmaceutical University, Jagiellonian University, Hoffmann-La Roche, CASMedChem Laboratory, Reverse proteomics research institute, SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES, Universit£ di Pisa, Aventis Pharmaceuticals, University of Illinois at Chicago, Gedeon Richter Ltd, AstraZeneca, University of Bologna, ChanTest Corporation] 1
- [Chinese Academy of Sciences, Leiden University, China Pharmaceutical University, Jagiellonian University, Hoffmann-La Roche, CASMedChem Laboratory, Reverse proteomics research institute, SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES, Universit£ di Pisa, Aventis Pharmaceuticals, University of Illinois at Chicago, Gedeon Richter Ltd, AstraZeneca, University of Bologna, ChanTest Corporation] 1
- [Chinese Academy of Sciences, Leiden University, China Pharmaceutical University, Jagiellonian University, Hoffmann-La Roche, CASMedChem Laboratory, Reverse proteomics research institute, SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES, Universit£ di Pisa, Aventis Pharmaceuticals, University of Illinois at Chicago, Gedeon Richter Ltd, AstraZeneca, University of Bologna, ChanTest Corporation] 1
- [Chinese Academy of Sciences, Leiden University, China Pharmaceutical University, Jagiellonian University, Hoffmann-La Roche, CASMedChem Laboratory, Reverse proteomics research institute, SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES, Universit£ di Pisa, Aventis Pharmaceuticals, University of Illinois at Chicago, Gedeon Richter Ltd, AstraZeneca, University of Bologna, ChanTest Corporation] 1
- [Chinese Academy of Sciences, Leiden University, China Pharmaceutical University, Jagiellonian University, Hoffmann-La Roche, CASMedChem Laboratory, Reverse proteomics research institute, SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES, Universit£ di Pisa, Aventis Pharmaceuticals, University of Illinois at Chicago, Gedeon Richter Ltd, AstraZeneca, University of Bologna, ChanTest Corporation] 1
- [Chinese Academy of Sciences, Leiden University, China Pharmaceutical University, Jagiellonian University, Hoffmann-La Roche, CASMedChem Laboratory, Reverse proteomics research institute, SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES, Universit£ di Pisa, Aventis Pharmaceuticals, University of Illinois at Chicago, Gedeon Richter Ltd, AstraZeneca, University of Bologna, ChanTest Corporation] 1
- [Chinese Academy of Sciences, Leiden University, China Pharmaceutical University, Jagiellonian University, Hoffmann-La Roche, CASMedChem Laboratory, Reverse proteomics research institute, SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES, Universit£ di Pisa, Aventis Pharmaceuticals, University of Illinois at Chicago, Gedeon Richter Ltd, AstraZeneca, University of Bologna, ChanTest Corporation] 1
- [Chinese Academy of Sciences, Leiden University, China Pharmaceutical University, Jagiellonian University, Hoffmann-La Roche, CASMedChem Laboratory, Reverse proteomics research institute, SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES, Universit£ di Pisa, Aventis Pharmaceuticals, University of Illinois at Chicago, Gedeon Richter Ltd, AstraZeneca, University of Bologna, ChanTest Corporation] 1
- [Chinese Academy of Sciences, Leiden University, China Pharmaceutical University, Jagiellonian University, Hoffmann-La Roche, CASMedChem Laboratory, Reverse proteomics research institute, SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES, Universit£ di Pisa, Aventis Pharmaceuticals, University of Illinois at Chicago, Gedeon Richter Ltd, AstraZeneca, University of Bologna, ChanTest Corporation] 1
- [Chinese Academy of Sciences, Leiden University, China Pharmaceutical University, Jagiellonian University, Hoffmann-La Roche, CASMedChem Laboratory, Reverse proteomics research institute, SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES, Universit£ di Pisa, Aventis Pharmaceuticals, University of Illinois at Chicago, Gedeon Richter Ltd, AstraZeneca, University of Bologna, ChanTest Corporation] 1
- [Chinese Academy of Sciences, Leiden University, China Pharmaceutical University, Jagiellonian University, Hoffmann-La Roche, CASMedChem Laboratory, Reverse proteomics research institute, SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES, Universit£ di Pisa, Aventis Pharmaceuticals, University of Illinois at Chicago, Gedeon Richter Ltd, AstraZeneca, University of Bologna, ChanTest Corporation] 1
- [Chinese Academy of Sciences, Leiden University, China Pharmaceutical University, Jagiellonian University, Hoffmann-La Roche, CASMedChem Laboratory, Reverse proteomics research institute, SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES, Universit£ di Pisa, Aventis Pharmaceuticals, University of Illinois at Chicago, Gedeon Richter Ltd, AstraZeneca, University of Bologna, ChanTest Corporation] 1
- [Chinese Academy of Sciences, Leiden University, China Pharmaceutical University, Jagiellonian University, Hoffmann-La Roche, CASMedChem Laboratory, Reverse proteomics research institute, SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES, Universit£ di Pisa, Aventis Pharmaceuticals, University of Illinois at Chicago, Gedeon Richter Ltd, AstraZeneca, University of Bologna, ChanTest Corporation] 1
- [Chinese Academy of Sciences, Leiden University, China Pharmaceutical University, Jagiellonian University, Hoffmann-La Roche, CASMedChem Laboratory, Reverse proteomics research institute, SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES, Universit£ di Pisa, Aventis Pharmaceuticals, University of Illinois at Chicago, Gedeon Richter Ltd, AstraZeneca, University of Bologna, ChanTest Corporation] 1
Affinity: 4.1 to 1.0E+6 nM▿
- Ki 2
- IC50 35
- Affinity ≤ nM
Xtal structures: 0
Docked structures: 0
Catalog Cmpds: 1