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ChEMBL ligand: CHEMBL1508 (Cipralex, Escitalopram, Esertia, Esitol, LU-26-054) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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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 33:
Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]