amantadine [Ligand Id: 4128] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL660 (Amantadine, Amantidine, NSC-341865, Symadine, Symmetrel, TCMDC-125869)
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  • Influenza virus A matrix protein M2 in Influenza A virus (A/Udorn/307/1972(H3N2)) [ChEMBL: CHEMBL2052] [UniProtKB: P0DOF8]
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  • Multidrug and toxin extrusion/Multidrug and toxin extrusion protein 1 in Human [ChEMBL: CHEMBL1743126] [GtoPdb: 1216] [UniProtKB: Q96FL8]
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  • sigma non-opioid intracellular receptor 1/Sigma opioid receptor in Human [ChEMBL: CHEMBL287] [GtoPdb: 2552] [UniProtKB: Q99720]
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  • Organic cation transporter 1/Solute carrier family 22 member 1 in Rat [ChEMBL: CHEMBL2073670] [GtoPdb: 1019] [UniProtKB: Q63089]
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  • Organic cation transporter 2/Solute carrier family 22 member 2 in Human [ChEMBL: CHEMBL1743122] [GtoPdb: 1020] [UniProtKB: O15244]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
GluN2D/GluN3B/GluN1/GluN2A/GluN2B/GluN2C/GluN3A/Glutamate [NMDA] receptor in Human (target type: PROTEIN COMPLEX GROUP) [ChEMBL: CHEMBL2094124] [GtoPdb: 459, 461, 455, 456, 457, 458, 460] [UniProtKB: O15399, O60391, Q05586, Q12879, Q13224, Q14957, Q8TCU5]
ChEMBL The compound was tested for its ability to block PCP N-methyl-D-aspartate glutamate receptor at the PCP (phencyclidine) binding site in postmortem human frontal cortex. B 4.98 pKi 10500 nM Ki J Med Chem (1998) 41: 393-400 [PMID:9464369]
GtoPdb Measured vs. exogenously expressed zeta1/epsilon3 (GRIN1/GRIN2C) subunits, at pH 6.9 - 4.65 pIC50 22500 nM IC50 J Physiol (Lond.) (2007) 581: 107-28 [PMID:17303642]
GluN1/GluN2A/GluN2B/GluN2C/GluN2D/GluN3B/GluN3A in Human [GtoPdb: 455, 456, 457, 458, 459, 461, 460] [UniProtKB: Q05586, Q12879, Q13224, Q14957, O15399, O60391, Q8TCU5]
GtoPdb Measured vs. exogenously expressed zeta1/epsilon3 (GRIN1/GRIN2C) subunits, at pH 6.9 - 4.65 pIC50 22500 nM IC50 J Physiol (Lond.) (2007) 581: 107-28 [PMID:17303642]
GluN1/GluN2A/GluN2B/GluN2C/GluN2D/GluN3B/GluN3A/Glutamate NMDA receptor in Rat (target type: PROTEIN COMPLEX GROUP) [ChEMBL: CHEMBL1907608] [GtoPdb: 455, 456, 457, 458, 459, 461, 460] [UniProtKB: P35439, Q00959, Q00960, Q00961, Q62645, Q8VHN2, Q9R1M7]
ChEMBL Antagonist activity against NMDA receptor in rat cerebellar granule neurons assessed as inhibition of NMDA -induced increase in intracellular calcium level by Fura-2 AM dye based fluorimetry F 4.04 pIC50 92000 nM IC50 Bioorg Med Chem (2009) 17: 3198-3206 [PMID:19251424]
ChEMBL Antagonist activity at NMDA receptor in cerebellar granule neurons assessed as inhibition of NMDA-induced increase in intracellular calcium concentration by fluorometric assay F 4.04 pIC50 92000 nM IC50 Bioorg Med Chem (2008) 16: 9925-9936 [PMID:18954995]
ChEMBL Antagonist activity at NMDA receptor in rat cerebellar granule neurons assessed as inhibition of NMDA-induced increase in intracellular calcium level by fluorometric assay F 4.04 pIC50 92000 nM IC50 Bioorg Med Chem (2010) 18: 46-57 [PMID:19954985]
ChEMBL Antagonist activity at NMDA receptor in Wistar rat cerebellar granule neurons assessed as inhibition of NMDA-induced intracellular calcium by Fura-2 fluorescence assay B 4.04 pIC50 92000 nM IC50 Bioorg Med Chem Lett (2014) 24: 3333-3336 [PMID:24974339]
GluN1/GluN2A/Glutamate NMDA receptor; GRIN1/GRIN2A in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL1907604] [GtoPdb: 455, 456] [UniProtKB: Q05586, Q12879]
ChEMBL Displacement of [3H]-(+)-MK-801 from phencyclidine binding site of NMDA receptor in human frontal cortex after 22 hrs by scintillation counting analysis B 5 pKi 10000 nM Ki Bioorg Med Chem (2015) 23: 4277-4285 [PMID:26145819]
Influenza virus A matrix protein M2 in Influenza A virus (A/Udorn/307/1972(H3N2)) (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2052] [UniProtKB: P0DOF8]
ChEMBL Binding affinity to Influenza A virus M2 transmembrane domain by analytical ultracentrifugation method B 4.92 pKd 12000 nM Kd J Med Chem (2017) 60: 1716-1733 [PMID:28107633]
ChEMBL Binding affinity to Influenza A virus A/Udorn/72 wild-type M2 proton channel expressed in Xenopus laevis oocytes at pH 5.5 by two-electrode voltage clamp assay B 5.05 pKd 9000 nM Kd ACS Med Chem Lett (2018) 9: 198-203 [PMID:29541360]
ChEMBL Binding affinity to Influenza A virus A/Udorn/72 wild-type M2 proton channel by isothermal calorimetric titration B 5.66 pKd 2170 nM Kd ACS Med Chem Lett (2018) 9: 198-203 [PMID:29541360]
ChEMBL Inhibition of Influenza A virus wild type M2 proton channel infected in Xenopus laevis oocytes after 2 mins by TEVC assay B 4.79 pIC50 16100 nM IC50 J Med Chem (2016) 59: 1207-1216 [PMID:26771709]
ChEMBL Inhibition of wild type Influenza A virus (A/udorn/72(H3N2)) M2 channel expressed in Xenopus oocyte plasma membrane incubated for 2 mins measured over 48 to 72 hrs by two-electrode voltage clamp method B 4.8 pIC50 16000 nM IC50 J Med Chem (2014) 57: 5738-5747 [PMID:24941437]
ChEMBL Inhibition of Influenza A virus A/Udorn/72 wild-type M2 proton channel expressed in Xenopus laevis oocytes assessed as blockade of inward currents at pH 5.5 after 2 mins by two-electrode voltage clamp assay B 4.9 pIC50 12500 nM IC50 ACS Med Chem Lett (2018) 9: 198-203 [PMID:29541360]
ChEMBL Inhibition of Influenza A virus A/Udorn/72 wild-type M2 proton channel expressed in Xenopus laevis oocytes assessed as blockade of inward currents at pH 5.5 after 5 mins by two-electrode voltage clamp assay B 5.33 pIC50 4700 nM IC50 ACS Med Chem Lett (2018) 9: 198-203 [PMID:29541360]
ChEMBL Inhibition of wild type Influenza A virus (A/chicken/Hubei/327/2004(H5N1)) M2 channel expressed in yeast after 46 to 48 hrs by yeast growth restoration assay B 6.18 pEC50 660 nM EC50 Eur J Med Chem (2018) 159: 206-216 [PMID:30292897]
ChEMBL Inhibition of wild type Influenza A virus (A/chicken/Hubei/327/2004(H5N1)) M2 expressed in yeast cells after 46 to 48 hrs B 6.18 pEC50 660 nM EC50 Medchemcomm (2019) 10: 89-100 [PMID:31559005]
Matrix protein 2 in Influenza A virus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1932894] [UniProtKB: P06821]
ChEMBL Binding affinity to Influenza A Weybridge(H7N7) virus Matrix protein 2 by spectrophotometry B 6.49 pKd 320 nM Kd Bioorg Med Chem Lett (2010) 20: 4182-4187 [PMID:20570509]
ChEMBL Inhibition of Influenza A virus (A/Udorn/72) wild type matrix protein 2 expressed in xenopus oocytes after 2 mins by two-electrode voltage clamp assay B 4.8 pIC50 16000 nM IC50 J Med Chem (2011) 54: 2646-2657 [PMID:21466220]
Multidrug and toxin extrusion/Multidrug and toxin extrusion protein 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1743126] [GtoPdb: 1216] [UniProtKB: Q96FL8]
ChEMBL Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay B 4.42 pIC50 37800 nM IC50 J Med Chem (2013) 56: 781-795 [PMID:23241029]
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364]
ChEMBL DNDI: Malaria in Vitro, 72 hour F 5.25 pIC50 5670 nM IC50 Antiprotozoal Activity Profiling of Approved Drugs: A Starting Point toward Drug Repositioning
sigma non-opioid intracellular receptor 1/Sigma opioid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL287] [GtoPdb: 2552] [UniProtKB: Q99720]
ChEMBL Binding affinity towards sigma receptor in guinea pig brain membrane was determined by using [3H]DTG as the radioligand B 7.69 pKi 20.25 nM Ki Bioorg Med Chem Lett (1996) 6: 595-600
Organic cation transporter 1/Solute carrier family 22 member 1 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2073670] [GtoPdb: 1019] [UniProtKB: Q63089]
ChEMBL TP_TRANSPORTER: inhibition pramipexole uptake in rOCT1-injected oocytes F 4.12 pIC50 76300 nM IC50 Drug Metab Dispos (2005) 33: 495-499 [PMID:15640376]
Organic cation transporter 2/Solute carrier family 22 member 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1743122] [GtoPdb: 1020] [UniProtKB: O15244]
ChEMBL TP_TRANSPORTER: inhibition of Dopamine uptake (Dopamine: 200 uM) in Xenopus laevis oocytes F 4.64 pIC50 23000 nM IC50 Mol Pharmacol (1998) 54: 342-352 [PMID:9687576]

ChEMBL data shown on this page come from version 32:

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]