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ChEMBL ligand: CHEMBL1118 (Desvenlafaxine, D-veniz, Khedezla, Mdd-xr, Newven, O-desmethylvenlafaxine, ODV, Pristiq) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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α1A-adrenoceptor/Alpha-1a adrenergic receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL319] [GtoPdb: 22] [UniProtKB: P43140] | ||||||||
ChEMBL | Inhibition of binding of [3H]imipramine to imipramine receptor in rat brain | B | 7.22 | pIC50 | 60 | nM | IC50 | J Med Chem (1990) 33: 2899-2905 [PMID:1976813] |
DAT/Dopamine transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL238] [GtoPdb: 927] [UniProtKB: Q01959] | ||||||||
ChEMBL | Displacement of [3H]WIN35428 from human DAT transfected in HEK293 cells after 3 hrs by Wallac counting analysis | B | 6.07 | pKi | >854 | nM | Ki | ACS Med Chem Lett (2013) 4: 560-564 [PMID:24900709] |
GtoPdb | - | - | 6.07 | pKi | >854 | nM | Ki | ACS Med Chem Lett (2013) 4: 560-4 [PMID:24900709] |
NET/Norepinephrine transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL222] [GtoPdb: 926] [UniProtKB: P23975] | ||||||||
ChEMBL | Displacement of [3H]Nisoxetine from human NET transfected in HEK293 cells after 3 hrs by Wallac counting analysis | B | 6.19 | pKi | >650 | nM | Ki | ACS Med Chem Lett (2013) 4: 560-564 [PMID:24900709] |
GtoPdb | - | - | 6.19 | pKi | >650 | nM | Ki | ACS Med Chem Lett (2013) 4: 560-4 [PMID:24900709] |
ChEMBL | Displacement of [3H]Nisoxetine from human NET transfected in HEK293 cells after 3 hrs by Wallac counting analysis | B | 5.82 | pIC50 | 1500 | nM | IC50 | ACS Med Chem Lett (2013) 4: 560-564 [PMID:24900709] |
ChEMBL | Inhibition of human NET expressed in CHO cells assessed as reduction of [3H]-NE re-uptake preincubated for 10 mins followed by [3H]-NE addition measured after 10 mins by liquid scintillation counting | B | 6.27 | pIC50 | 538 | nM | IC50 | J Med Chem (2018) 61: 2133-2165 [PMID:28731336] |
Norepinephrine transporter in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL304] [UniProtKB: Q9WTR4] | ||||||||
ChEMBL | Inhibition of uptake of tritiated norepinephrine (NE) into rat brain synaptosomes | F | 5.94 | pIC50 | 1160 | nM | IC50 | J Med Chem (1990) 33: 2899-2905 [PMID:1976813] |
SERT/Serotonin transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL228] [GtoPdb: 928] [UniProtKB: P31645] | ||||||||
GtoPdb | - | - | 7.82 | pKi | 15 | nM | Ki | ACS Med Chem Lett (2013) 4: 560-4 [PMID:24900709] |
ChEMBL | Displacement of [3H]citalopram from human SERT transfected in HEK293 cells after 3 hrs by Wallac counting analysis | B | 7.82 | pKi | 15 | nM | Ki | ACS Med Chem Lett (2013) 4: 560-564 [PMID:24900709] |
ChEMBL | Inhibition of human SERT expressed in CHO cells assessed as reduction of [3H]-5-HT re-uptake preincubated for 10 mins followed by [3H]-5-HT addition measured after 10 mins by liquid scintillation counting | B | 7.28 | pIC50 | 53 | nM | IC50 | J Med Chem (2018) 61: 2133-2165 [PMID:28731336] |
ChEMBL | Displacement of [3H]citalopram from human SERT transfected in HEK293 cells after 3 hrs by Wallac counting analysis | B | 7.77 | pIC50 | 17 | nM | IC50 | ACS Med Chem Lett (2013) 4: 560-564 [PMID:24900709] |
SERT/Serotonin transporter in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL313] [GtoPdb: 928] [UniProtKB: P31652] | ||||||||
ChEMBL | Displacement of [3H]-citalopram from Sprague-Dawley rat brain SERT after 1 hr | B | 6.49 | pKi | >324 | nM | Ki | ACS Med Chem Lett (2013) 4: 560-564 [PMID:24900709] |
ChEMBL | Inhibition of uptake of tritiated serotonin (5-HT) into rat brain synaptosomes | F | 6.74 | pIC50 | 180 | nM | IC50 | J Med Chem (1990) 33: 2899-2905 [PMID:1976813] |
ChEMBL data shown on this page come from version 34:
Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
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]