BindingDB

null

SMILES Fc1ccc(cc1)C(N1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1

InChI Key InChIKey=SMANXXCATUTDDT-QPJJXVBHSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50017702

D(2) dopamine receptor(Rattus norvegicus (rat))
Suntory Biomedical Research Limited

Curated by ChEMBL

BDBM50017702(1-(bis(4-fluorophenyl)methyl)-4-cinnamylpiperazine...)copy SMILEScopy InChI

IC50: 228nMAssay Description:Concentration required for 50% inhibitory effect on Dopamine receptor D2 determined in competition experiments with [3H]racloprideMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar

Purchase CHEMBL DrugBank MCE
PC cid PC sid Patents Similars

Details
BindingDB Entry DOI: 10.7270/Q27945CDPubMed

Targets 22 ▿
- Cytochrome P450 2J2 5
- Sodium channel protein type 2 subunit alpha 2
- Voltage-dependent T-type calcium channel subunit alpha-1I 2
- Voltage-dependent T-type calcium channel subunit alpha-1H 2
- Voltage-dependent T-type calcium channel subunit alpha-1G 2
- D(2) dopamine receptor 2
- Sodium channel protein type 1/2/3 subunit alpha 2
- Voltage-dependent N-type calcium channel subunit alpha-1B 1
- Potassium two pore domain channel subfamily K member 2 1
- Voltage-dependent L-type calcium channel subunit beta-1/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1 1
- Cytochrome P450 1A2 1
- Kappa-type opioid receptor 1
- Potassium channel subfamily K member 2 1
- Cytochrome P450 2C9 1
- Streptokinase A 1
- Delta-type opioid receptor 1
- Cytochrome P450 2C19 1
- Cytochrome P450 2D6 1
- Bile salt export pump 1
- Mu-type opioid receptor 1
- Cytochrome P450 3A4 1
- Arachidonate 15-lipoxygenase 1
Publications 17 ▿
- Drug Metab Dispos 41: 60-71 (2012) 10
- Bioorg Med Chem 18: 5938-44 (2010) 3
- J Med Chem 44: 3391-401 (2001) 3
- Bioorg Med Chem Lett 9: 2999-3002 (1999) 2
- Bioorg Med Chem Lett 21: 215-9 (2010) 2
- Biochemistry 55: 3329-40 (2016) 1
- Drug Metab Dispos 40: 2332-41 (2012) 1
- PubChem Bioassay (2010) 1
- Chem Biol Drug Des 88: 807-819 (2016) 1
- J Med Chem 39: 1514-20 (1996) 1
- Bioorg Med Chem Lett 19: 6467-72 (2009) 1
- J Med Chem 28: 381-8 (1985) 1
- Bioorg Med Chem Lett 17: 662-7 (2007) 1
- PubChem Bioassay (2009) 1
- J Med Chem 43: 3372-6 (2000) 1
- J Med Chem 59: 5149-57 (2016) 1
- J Med Chem 37: 268-74 (1994) 1
Institutions 16 ▿
- [Tongji University] 10
- [Ewha Womans University, F-59000 Lille] 3
- [Ewha Womans University, F-59000 Lille] 3
- [Institute for Biomedical Research, Warner-Lambert Company, Institute of Science and Technology] 2
- [Institute for Biomedical Research, Warner-Lambert Company, Institute of Science and Technology] 2
- [Institute for Biomedical Research, Warner-Lambert Company, Institute of Science and Technology] 2
- [TBA, University of California, Santa Cruz, University of Calgary, Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters, Ionix Pharmaceuticals Ltd, Suntory Biomedical Research Limited, Korea Institute of Science and Technology, AstraZeneca, Broad Institute, Universit£ Clermont Auvergne] 1
- [TBA, University of California, Santa Cruz, University of Calgary, Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters, Ionix Pharmaceuticals Ltd, Suntory Biomedical Research Limited, Korea Institute of Science and Technology, AstraZeneca, Broad Institute, Universit£ Clermont Auvergne] 1
- [TBA, University of California, Santa Cruz, University of Calgary, Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters, Ionix Pharmaceuticals Ltd, Suntory Biomedical Research Limited, Korea Institute of Science and Technology, AstraZeneca, Broad Institute, Universit£ Clermont Auvergne] 1
- [TBA, University of California, Santa Cruz, University of Calgary, Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters, Ionix Pharmaceuticals Ltd, Suntory Biomedical Research Limited, Korea Institute of Science and Technology, AstraZeneca, Broad Institute, Universit£ Clermont Auvergne] 1
- [TBA, University of California, Santa Cruz, University of Calgary, Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters, Ionix Pharmaceuticals Ltd, Suntory Biomedical Research Limited, Korea Institute of Science and Technology, AstraZeneca, Broad Institute, Universit£ Clermont Auvergne] 1
- [TBA, University of California, Santa Cruz, University of Calgary, Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters, Ionix Pharmaceuticals Ltd, Suntory Biomedical Research Limited, Korea Institute of Science and Technology, AstraZeneca, Broad Institute, Universit£ Clermont Auvergne] 1
- [TBA, University of California, Santa Cruz, University of Calgary, Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters, Ionix Pharmaceuticals Ltd, Suntory Biomedical Research Limited, Korea Institute of Science and Technology, AstraZeneca, Broad Institute, Universit£ Clermont Auvergne] 1
- [TBA, University of California, Santa Cruz, University of Calgary, Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters, Ionix Pharmaceuticals Ltd, Suntory Biomedical Research Limited, Korea Institute of Science and Technology, AstraZeneca, Broad Institute, Universit£ Clermont Auvergne] 1
- [TBA, University of California, Santa Cruz, University of Calgary, Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters, Ionix Pharmaceuticals Ltd, Suntory Biomedical Research Limited, Korea Institute of Science and Technology, AstraZeneca, Broad Institute, Universit£ Clermont Auvergne] 1
- [TBA, University of California, Santa Cruz, University of Calgary, Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters, Ionix Pharmaceuticals Ltd, Suntory Biomedical Research Limited, Korea Institute of Science and Technology, AstraZeneca, Broad Institute, Universit£ Clermont Auvergne] 1
Affinity: 80 to 5.0E+4 nM▿
- Ki 2
- IC50 22
- Kd 5
- EC50 3
- Affinity ≤ nM
Xtal structures: 0
Docked structures: 0
Catalog Cmpds: 1