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ChEMBL ligand: CHEMBL796 (Concerta, Cotempla xr-odt, Daytrana, Methylin, Methylphenidate, Methylphenidate extended release, Metilfenidato, Prc-063, Threo-dl-methylphenidate) |
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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 Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL238] [GtoPdb: 927] [UniProtKB: Q01959] | ||||||||
ChEMBL | Displacement of [125I]RTI-55 from human DAT expressing HEK293 cells | B | 6.96 | pKi | 110 | nM | Ki | J Med Chem (2007) 50: 219-232 [PMID:17228864] |
ChEMBL | Displacement of [3H]WIN 35,428 from human DAT expressed in HEK293E cells after 1 hr by liquid scintillation counting | B | 7.47 | pKi | 34 | nM | Ki | ACS Med Chem Lett (2014) 5: 760-765 [PMID:25050161] |
GtoPdb | - | - | 7.1 | pIC50 | 79 | nM | IC50 | J Med Chem (2007) 50: 219-32 [PMID:17228864] |
ChEMBL | Inhibition of [3H]DA uptake at human DAT expressing HEK293 cells | B | 7.1 | pIC50 | 79 | nM | IC50 | J Med Chem (2007) 50: 219-232 [PMID:17228864] |
ChEMBL | Inhibition of [3H]WIN-35428 Binding to the Dopamine Transporter in Rhesus (Macaca mulatta) orCynomolgus Monkey (Macaca fascicularis) Caudate-Putamen | B | 7.77 | pIC50 | 17 | nM | IC50 | J Med Chem (2003) 46: 1538-1545 [PMID:12672255] |
DAT/Dopamine transporter in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL338] [GtoPdb: 927] [UniProtKB: P23977] | ||||||||
ChEMBL | Tested for the ability to bind stereoselectively and enantioselectively to the dopamine transporter (DAT); Value ranges from 34 - 83 nM | B | 7.08 | pIC50 | 83 | nM | IC50 | J Med Chem (2003) 46: 1538-1545 [PMID:12672255] |
NET/Norepinephrine transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL222] [GtoPdb: 926] [UniProtKB: P23975] | ||||||||
ChEMBL | Displacement of [125I]RTI-55 from human NET expressing HEK293 cells | B | 6.18 | pKi | 660 | nM | Ki | J Med Chem (2007) 50: 219-232 [PMID:17228864] |
ChEMBL | Displacement of [3H]Nisoxetine from human NET expressed in HEK293E cells after 1 hr by liquid scintillation counting | B | 6.47 | pKi | 340 | nM | Ki | ACS Med Chem Lett (2014) 5: 760-765 [PMID:25050161] |
GtoPdb | - | - | 7.21 | pIC50 | 61 | nM | IC50 | |
ChEMBL | Inhibition of [3H]NE uptake into human NET expressing HEK293 cells | B | 7.21 | pIC50 | 61 | nM | IC50 | J Med Chem (2007) 50: 219-232 [PMID:17228864] |
SERT/Serotonin transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL228] [GtoPdb: 928] [UniProtKB: P31645] | ||||||||
ChEMBL | Displacement of [125I]RTI-55 from human SERT expressing HEK293 cells | B | 4.19 | pKi | 65000 | nM | Ki | J Med Chem (2007) 50: 219-232 [PMID:17228864] |
ChEMBL | Displacement of [3H]Citolapram from human SERT expressed in HEK293E cells after 1 hr by liquid scintillation counting | B | 5 | pKi | >10000 | nM | Ki | ACS Med Chem Lett (2014) 5: 760-765 [PMID:25050161] |
ChEMBL | Inhibition of [3H]5-HT uptake into human SERT expressing HEK293 cells | B | 5.29 | pIC50 | 5100 | nM | IC50 | J Med Chem (2007) 50: 219-232 [PMID:17228864] |
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]