modafinil [Ligand Id: 7555] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL1373 (CEP 1538, CEP-1538, CRC-40476, CRL 40476, CRL-40476, DEP-1538, Modafinil, Modafinil civ, Modaphonil, Modiodal, NSC-751178, NSC-759110, Provigil, THN-102 COMPONENT MODAFINIL, THN102 COMPONENT MODAFINIL) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| D2 receptor/Dopamine D2 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL217] [GtoPdb: 215] [UniProtKB: P14416] | ||||||||
| ChEMBL | Displacement of [3H]-N-methylspiperone from human D2L receptor expressed in HEK293 cell membranes measured after 60 mins by microbeta scintillation counting method | B | 4 | pKi | >100000 | nM | Ki | Eur J Med Chem (2020) 208: 112674-112674 [PMID:32947229] |
| D3 receptor/Dopamine D3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL234] [GtoPdb: 216] [UniProtKB: P35462] | ||||||||
| ChEMBL | Displacement of [3H]-N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by microbeta scintillation counting method | B | 4.41 | pKi | 39000 | nM | Ki | Eur J Med Chem (2020) 208: 112674-112674 [PMID:32947229] |
| D4 receptor/Dopamine D4 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL219] [GtoPdb: 217] [UniProtKB: P21917] | ||||||||
| ChEMBL | Displacement of [3H]-N-methylspiperone from human D4.4 receptor expressed in HEK293 cell membranes measured after 60 mins by microbeta scintillation counting method | B | 4 | pKi | >100000 | nM | Ki | Eur J Med Chem (2020) 208: 112674-112674 [PMID:32947229] |
| DAT/Dopamine transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL238] [GtoPdb: 927] [UniProtKB: Q01959] | ||||||||
| ChEMBL | Binding affinity to wild type human DAT expressed in African green monkey COS7 cells assessed as inhibition of [3H]-dopamine uptake after 5 mins by beta-scintillation counting analysis | B | 4.89 | pKi | 13000 | nM | Ki | J Med Chem (2014) 57: 1000-1013 [PMID:24494745] |
| ChEMBL | Binding affinity to human DAT A480T mutant expressed in African green monkey COS7 cells assessed as inhibition of [3H]-dopamine uptake after 5 mins by beta-scintillation counting analysis | B | 5.51 | pKi | 3090 | nM | Ki | J Med Chem (2014) 57: 1000-1013 [PMID:24494745] |
| ChEMBL | Binding affinity to DAT (unknown origin) | B | 5.7 | pKi | 2000 | nM | Ki | J Med Chem (2016) 59: 10676-10691 [PMID:27933960] |
| ChEMBL | DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55) | B | 5.84 | pKi | 1456 | nM | Ki | DrugMatrix in vitro pharmacology data |
| ChEMBL | Displacement of [3H]WIN35,428 from wild type human DAT expressed in COS7 cell membranes incubated for >90 mins by radioligand binding assay | B | 6.03 | pKi | 927 | nM | Ki | J Med Chem (2016) 59: 10676-10691 [PMID:27933960] |
| ChEMBL | Inhibition of re-uptake of [3H]-dopamine at human DAT expressed in HEK293 cells preincubated for 5 mins followed by [3H]-dopamine addition measured after 1 min by liquid scintillation counting | B | 4.94 | pIC50 | 11500 | nM | IC50 | J Med Chem (2017) 60: 9330-9348 [PMID:29091428] |
| ChEMBL | DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55) | B | 5.74 | pIC50 | 1832 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| DAT/Dopamine transporter in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL338] [GtoPdb: 927] [UniProtKB: P23977] | ||||||||
| ChEMBL | Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat striatum membranes incubated for 120 mins by microbeta scintillation counting method | B | 5.09 | pKi | 8160 | nM | Ki | J Med Chem (2020) 63: 2343-2357 [PMID:31661268] |
| ChEMBL | Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat striatal membranes incubated for 120 mins by microbeta scintillation counting method | B | 5.09 | pKi | 8160 | nM | Ki | Eur J Med Chem (2020) 208: 112674-112674 [PMID:32947229] |
| GtoPdb | Inhibition of high affinity uptake by the dopamine transporter from rat synaptosomal nerve endings using [3H]dopamine as radioligand | - | 5.42 | pKi | 3800 | nM | Ki | J Med Chem (2004) 47: 5821-4 [PMID:15537337] |
| ChEMBL | Inhibition of high affinity uptake by the dopamine transporter from rat synaptosomal nerve endings by using [3H]DA as radioligand | B | 5.42 | pKi | 3800 | nM | Ki | J Med Chem (2004) 47: 5821-5824 [PMID:15537337] |
| ChEMBL | Displacement of [3H]WIN35,428 from Sprague-Dawley rat brain DAT after 120 mins by liquid scintillation counting analysis | B | 5.59 | pKi | 2600 | nM | Ki | J Med Chem (2014) 57: 1000-1013 [PMID:24494745] |
| ChEMBL | Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat brain membranes | B | 5.6 | pKi | 2520 | nM | Ki | ACS Med Chem Lett (2011) 2: 48-52 [PMID:21344069] |
| ChEMBL | Inhibition of rat DAT-mediated dopamine reuptake | B | 5.37 | pIC50 | 4300 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 2312-2314 [PMID:22264475] |
| ChEMBL | Inhibition of rat DAT-mediated dopamine reuptake | B | 5.37 | pIC50 | 4300 | nM | IC50 | Eur J Med Chem (2012) 54: 949-951 [PMID:22749190] |
| ChEMBL | Inhibition of rat brain DAT assessed as reduction of [3H]-DA re-uptake preincubated for 30 mins followed by [3H]-DA addition measured after 5 mins by scintillation counting | B | 5.42 | pIC50 | >3800 | nM | IC50 | J Med Chem (2018) 61: 2133-2165 [PMID:28731336] |
| ChEMBL | Inhibition of rat DAT | B | 5.43 | pIC50 | 3700 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 2312-2314 [PMID:22264475] |
| ChEMBL | Displacement of 3H-WIN-35428 from DAT in rat striata after 120 mins | B | 5.43 | pIC50 | 3700 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 3751-3753 [PMID:22546675] |
| ChEMBL | Inhibition of rat DAT | B | 5.43 | pIC50 | 3700 | nM | IC50 | Eur J Med Chem (2012) 54: 949-951 [PMID:22749190] |
| Norepinephrine transporter in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL304] [UniProtKB: Q9WTR4] | ||||||||
| ChEMBL | Inhibition of high affinity uptake by the norepinephrine transporter from rat synaptosomal nerve endings by using [3H]NE as radioligand | B | 5 | pKi | >10000 | nM | Ki | J Med Chem (2004) 47: 5821-5824 [PMID:15537337] |
| ChEMBL | Inhibition of rat brain NET assessed as reduction of [3H]-NE re-uptake preincubated for 30 mins followed by [3H]-NE addition measured after 5 mins by scintillation counting | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2018) 61: 2133-2165 [PMID:28731336] |
| SERT/Serotonin transporter in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL313] [GtoPdb: 928] [UniProtKB: P31652] | ||||||||
| ChEMBL | Displacement of [3H]citalopram from SERT in Sprague-Dawley rat midbrain membranes incubated for 60 mins by microbeta scintillation counting method | B | 4.5 | pKi | 31300 | nM | Ki | J Med Chem (2020) 63: 2343-2357 [PMID:31661268] |
| ChEMBL | Displacement of [3H]citalopram from SERT in Sprague-Dawley rat midbrain membranes incubated for 60 mins by microbeta scintillation counting method | B | 4.5 | pKi | 31300 | nM | Ki | Eur J Med Chem (2020) 208: 112674-112674 [PMID:32947229] |
| Transporter in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6184] [UniProtKB: Q63380] | ||||||||
| ChEMBL | Inhibition of rat NET-mediated norepinephrine reuptake | B | 4.19 | pIC50 | 63900 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 2312-2314 [PMID:22264475] |
| ChEMBL | Inhibition of rat NET-mediated norepinephrine reuptake | B | 4.19 | pIC50 | 63900 | nM | IC50 | Eur J Med Chem (2012) 54: 949-951 [PMID:22749190] |
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]
