escitalopram [Ligand Id: 7177] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL1508 (Cipralex, Escitalopram, LU-26-054)
  • DAT/Dopamine transporter in Rat [ChEMBL: CHEMBL338] [GtoPdb: 927] [UniProtKB: P23977]
  • This target only has 1 pki data point
  • 5.09
1 CHEMBL1508_lig_chart_1 Dopamine transporter Rat
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  • SERT/Serotonin transporter in Human [ChEMBL: CHEMBL228] [GtoPdb: 928] [UniProtKB: P31645]
  • SERT/Serotonin transporter in Rat [ChEMBL: CHEMBL313] [GtoPdb: 928] [UniProtKB: P31652]
  • 9.05
2 CHEMBL1508_lig_chart_2 Serotonin transporter HumanRat
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  • Transporter in Rat [ChEMBL: CHEMBL6184] [UniProtKB: Q63380]
  • This target only has 1 pki data point
  • 4.98
3 CHEMBL1508_lig_chart_3 Transporter Rat
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
DAT/Dopamine transporter in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL338] [GtoPdb: 927] [UniProtKB: P23977]
ChEMBL Displacement of [3H]WIN-35428 from DAT in rat caudate-putamen by scintillation counting B 5.09 pKi 8150 nM Ki J. Med. Chem. (2010) 53: 6112-6121 [PMID:20672825]
SERT/Serotonin transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL228] [GtoPdb: 928] [UniProtKB: P31645]
ChEMBL Binding affinity to human SERT expressed in African green monkey COS7 cells after 2 hrs by scintillation counting analysis B 8.59 pKd 2.6 nM Kd ACS Med. Chem. Lett. (2014) 5: 696-699 [PMID:24944746]
GtoPdb - - 8.68 pKd 2.1 nM Kd Nature (2016) 532: 334-9 [PMID:27049939]
ChEMBL Inhibition of human SERT S438T mutant expressed in HEK293 GripTite cells pre-incubated for 5 mins followed by [3H]5-HT addition by [3H]5-HT uptake assay B 5.1 pKi 7879 nM Ki J. Med. Chem. (2015) 58: 5609-5619 [PMID:26153715]
ChEMBL Inhibition of 5-hydroxy[3H]tryptamine uptake at human SERT expressed in African green monkey COS7 cells incubated for 10 mins prior to radioligand addition measured after 5 mins by scintillation counting analysis B 8.13 pKi 7.4 nM Ki ACS Med. Chem. Lett. (2014) 5: 696-699 [PMID:24944746]
ChEMBL Inhibition of wild type human SERT expressed in HEK293 GripTite cells pre-incubated for 5 mins followed by [3H]5-HT addition by [3H]5-HT uptake assay B 8.66 pKi 2.2 nM Ki J. Med. Chem. (2015) 58: 5609-5619 [PMID:26153715]
ChEMBL Displacement of [125I]-RTI-55 from human SERT expressed in HEK293 cell membranes after 1 hr by gamma counting method B 8.75 pKi 1.77 nM Ki Bioorg Med Chem Lett (2018) 28: 3431-3435 [PMID:30266542]
ChEMBL Displacement of [3H]citalopram from human serotonin transporter expressed in HEK293 cells by scintillation proximity assay B 9 pKi 1 nM Ki Bioorg. Med. Chem. Lett. (2009) 19: 5552-5555 [PMID:19720528]
ChEMBL Displacement of [3H]citalopram form human SRET by liquid scintillation counting B 9 pKi 1 nM Ki Bioorg. Med. Chem. Lett. (2010) 20: 2983-2986 [PMID:20347298]
ChEMBL Allosteric modulation at wild-type human SERT site S2 expressed in african green monkey COS7 cells assessed as inhibition of [3H]citalopram dissociation at 30 uM by scintillation counting analysis B 5.34 pIC50 4600 nM IC50 J. Med. Chem. (2013) 56: 9709-9724 [PMID:24237160]
ChEMBL Displacement of [3H]-S-citalopram from human SERT primary site (S1) expressed in African green monkey COS7 cell membranes after 2 hrs by microbeta scintillation counting method B 8 pIC50 10 nM IC50 Bioorg Med Chem Lett (2017) 27: 470-478 [PMID:28041833]
ChEMBL Inhibition of [3H]5-HT uptake by SERT primary site (S1) (unknown origin) expressed in African green monkey COS1 cells after 10 mins by TopCount scintillation counting method B 8.68 pIC50 2.1 nM IC50 Bioorg Med Chem Lett (2017) 27: 470-478 [PMID:28041833]
GtoPdb - - 9 pIC50 1 nM IC50 Bioorg Med Chem Lett (2009) 19: 5552-5 [PMID:19720528]
ChEMBL Inhibition of [3H]-S-citalopram dissociation from human SERT allosteric modulator site (S2) expressed in African green monkey COS7 cell membranes after 80 mins by microbeta scintillation counting method B 5.24 pEC50 5800 nM EC50 Bioorg Med Chem Lett (2017) 27: 470-478 [PMID:28041833]
ChEMBL Inhibition of [3H]-S-citalopram dissociation from SERT allosteric modulator site (S2) (unknown origin) expressed in African green monkey COS1 cell membranes by scintillation counting method B 5.29 pEC50 5100 nM EC50 Bioorg Med Chem Lett (2017) 27: 470-478 [PMID:28041833]
SERT/Serotonin transporter in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL313] [GtoPdb: 928] [UniProtKB: P31652]
ChEMBL Displacement of [3H]citalopram from SERT in rat brain stem by scintillation counting B 9.05 pKi 0.89 nM Ki J. Med. Chem. (2010) 53: 6112-6121 [PMID:20672825]
Transporter in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6184] [UniProtKB: Q63380]
ChEMBL Displacement of [3H]nisoxetine from NET in rat frontal cortex by scintillation counting B 4.98 pKi 10500 nM Ki J. Med. Chem. (2010) 53: 6112-6121 [PMID:20672825]

ChEMBL data shown on this page come from version 28:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, Cibrián-Uhalte E, Davies M, Dedman N, Karlsson A, Magariños MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]