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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 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]