reserpine [Ligand Id: 4823] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL772 (Apoplon, ENT-50146, Hiserpia, NSC-237659, NSC-59272, Rau-sed, Reserpine, Reserpinum, Sandril, Serpalan, Serpanray, Serpasil, Serpate, Serpivite)
  • ABCG2/ATP-binding cassette sub-family G member 2 in Human [ChEMBL: CHEMBL5393] [GtoPdb: 792] [UniProtKB: Q9UNQ0]
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  • μ receptor/Mu opioid receptor in Human [ChEMBL: CHEMBL233] [GtoPdb: 319] [UniProtKB: P35372]
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  • Quinolone resistance protein norA in S.aureus [ChEMBL: CHEMBL5114] [UniProtKB: P0A0J7]
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  • 5-HT2A receptor/Serotonin 2a (5-HT2a) receptor in Human [ChEMBL: CHEMBL224] [GtoPdb: 6] [UniProtKB: P28223]
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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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  • Vesicular monoamine transporter 2/Synaptic vesicular amine transporter in Human [ChEMBL: CHEMBL1893] [GtoPdb: 1012] [UniProtKB: Q05940]
  • Synaptic vesicular amine transporter in Bovine [ChEMBL: CHEMBL4271] [UniProtKB: Q27963]
  • Vesicular monoamine transporter 2/Synaptic vesicular amine transporter in Mouse [ChEMBL: CHEMBL4295886] [GtoPdb: 1012] [UniProtKB: Q8BRU6]
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  • Vesicular monoamine transporter 1 in Human [GtoPdb: 1011] [UniProtKB: P54219]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
ABCG2/ATP-binding cassette sub-family G member 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5393] [GtoPdb: 792] [UniProtKB: Q9UNQ0]
ChEMBL Inhibition of ABCG2 in human mitoxantrone-resistant MCF7 cells by Hoechst 33342 assay B 4.58 pIC50 26302.68 nM IC50 Bioorg. Med. Chem. (2008) 16: 8224-8236 [PMID:18678495]
ChEMBL Inhibition of BCRP (unknown origin) B 4.9 pIC50 12600 nM IC50 Eur J Med Chem (2017) 138: 273-292 [PMID:28675836]
ABCB11/Bile salt export pump in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6020] [GtoPdb: 778] [UniProtKB: O95342]
ChEMBL TP_TRANSPORTER: increase in dihydrofluorescein intracellular accumulation (dihydrofluorescein: 1 uM) in SK-E2 cells (expressing BSEP) F 4.99 pIC50 10200 nM IC50 Pharm. Res. (2003) 20: 537-544 [PMID:12739759]
μ receptor/Mu opioid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL233] [GtoPdb: 319] [UniProtKB: P35372]
ChEMBL DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine) B 5.77 pKi 1686 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine) B 5.38 pIC50 4152 nM IC50 DrugMatrix in vitro pharmacology data
ABCB1/P-glycoprotein 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4302] [GtoPdb: 768] [UniProtKB: P08183]
ChEMBL TP_TRANSPORTER: increase in Calcein-AM intracellular accumulation in MDR1-expressing LLC-PK1 cells F 4.91 pKi 12200 nM Ki Mol. Pharmacol. (2002) 61: 964-973 [PMID:11961113]
ChEMBL TP_TRANSPORTER: inhibition of Digoxin transepithelial transport (basal to apical) in MDR1-expressing MDCK cells F 4.94 pKi 11500 nM Ki Pharm. Res. (2002) 19: 765-772 [PMID:12134945]
ChEMBL TP_TRANSPORTER: transepithelial transport of digoxin (basal to apical) in Caco-2 cells F 5.64 pKi 2310 nM Ki Pharm. Res. (2003) 20: 161-168 [PMID:12636153]
ChEMBL TP_TRANSPORTER: increase in Vinblastine intracellular accumulation in MDR1-expressing LLC-PK1 cells F 6.01 pKi 970 nM Ki Mol. Pharmacol. (2002) 61: 964-973 [PMID:11961113]
ChEMBL Concentration giving half of the maximal ATPase activity calculated for the high-affinity binding site of the CHO P-Glycoprotein (P-gp) in two-affinity model B 7 pKi 100 nM Ki J. Med. Chem. (2002) 45: 5671-5686 [PMID:12477351]
ChEMBL TP_TRANSPORTER: inhibition of JC-1 efflux in NIH-3T3-G185 cells F 5.21 pIC50 6100 nM IC50 Biochem. Biophys. Res. Commun. (2001) 289: 580-585 [PMID:11716514]
ChEMBL TP_TRANSPORTER: inhibition of Tetramethylrosamine efflux in NIH-3T3-G185 cells F 5.28 pIC50 5300 nM IC50 Biochem. Biophys. Res. Commun. (2001) 289: 580-585 [PMID:11716514]
ChEMBL TP_TRANSPORTER: inhibition of Rhodamine 123 efflux in NIH-3T3-G185 cells F 5.41 pIC50 3900 nM IC50 Biochem. Biophys. Res. Commun. (2001) 289: 580-585 [PMID:11716514]
ChEMBL Inhibition of P-glycoprotein expressed in A2780/ADR cells by calcein AM assay B 5.49 pIC50 3235.94 nM IC50 Bioorg. Med. Chem. (2007) 15: 7470-7479 [PMID:17890094]
ChEMBL Inhibition of P-gp in human adriamycin-resistant A2780 cells by Hoechst 33342 assay B 5.49 pIC50 3235.94 nM IC50 Bioorg. Med. Chem. (2008) 16: 8224-8236 [PMID:18678495]
ChEMBL Inhibition of P-glycoprotein by Hoechst assay B 5.52 pIC50 3019.95 nM IC50 Bioorg. Med. Chem. (2007) 15: 7470-7479 [PMID:17890094]
ChEMBL TP_TRANSPORTER: inhibition of Calcein-AM efflux in NIH-3T3-G185 cells F 5.59 pIC50 2600 nM IC50 Biochem. Biophys. Res. Commun. (2001) 289: 580-585 [PMID:11716514]
ChEMBL TP_TRANSPORTER: inhibition of LDS-751 efflux in NIH-3T3-G185 cells F 5.68 pIC50 2100 nM IC50 Biochem. Biophys. Res. Commun. (2001) 289: 580-585 [PMID:11716514]
ChEMBL TP_TRANSPORTER: inhibition of Fluo-3-AM efflux in NIH-3T3-G185 cells F 5.68 pIC50 2100 nM IC50 Biochem. Biophys. Res. Commun. (2001) 289: 580-585 [PMID:11716514]
ChEMBL TP_TRANSPORTER: inhibition of Daunorubicin efflux in NIH-3T3-G185 cells F 6.3 pIC50 500 nM IC50 Biochem. Biophys. Res. Commun. (2001) 289: 580-585 [PMID:11716514]
P-glycoprotein 1 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3467] [UniProtKB: P06795]
ChEMBL TP_TRANSPORTER: increase in Calcein-AM intracellular accumulation in mdr1b-expressing LLC-PK1 cells F 4.75 pKi 17900 nM Ki J. Pharmacol. Exp. Ther. (2002) 303: 323-332 [PMID:12235267]
ABCB1/P-glycoprotein 3 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2573] [GtoPdb: 768] [UniProtKB: P21447]
ChEMBL TP_TRANSPORTER: increase in Calcein-AM intracellular accumulation in mdr1a-expressing LLC-PK1 cells F 5.39 pKi 4030 nM Ki J. Pharmacol. Exp. Ther. (2002) 303: 323-332 [PMID:12235267]
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364]
ChEMBL Antiplasmodial activity against Plasmodium falciparum Dd2 after 72 hrs by SYBR green assay F 5.6 pIC50 2511.89 nM IC50 Nat. Chem. Biol. (2009) 5: 765-771 [PMID:19734910]
ChEMBL Antiplasmodial activity against Plasmodium falciparum D10 after 72 hrs by SYBR green assay F 5.6 pIC50 2511.89 nM IC50 Nat. Chem. Biol. (2009) 5: 765-771 [PMID:19734910]
ChEMBL Antiplasmodial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR green assay F 5.7 pIC50 1995.26 nM IC50 Nat. Chem. Biol. (2009) 5: 765-771 [PMID:19734910]
ChEMBL Antiplasmodial activity against Plasmodium falciparum GB4 after 72 hrs by SYBR green assay F 5.7 pIC50 1995.26 nM IC50 Nat. Chem. Biol. (2009) 5: 765-771 [PMID:19734910]
ChEMBL Antiplasmodial activity against Plasmodium falciparum HB3 after 72 hrs by SYBR green assay F 5.9 pIC50 1258.93 nM IC50 Nat. Chem. Biol. (2009) 5: 765-771 [PMID:19734910]
ChEMBL Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR green assay F 6.1 pIC50 794.33 nM IC50 Nat. Chem. Biol. (2009) 5: 765-771 [PMID:19734910]
ChEMBL Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR green assay F 6.5 pIC50 316.23 nM IC50 Nat. Chem. Biol. (2009) 5: 765-771 [PMID:19734910]
Quinolone resistance protein norA in S.aureus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5114] [UniProtKB: P0A0J7]
ChEMBL Inhibition of NorA in Staphylococcus aureus 1199B harboring grlA A116E mutant assessed as inhibition of ethidium bromide efflux measured for 5 mins by fluorometric analysis B 5.04 pIC50 9200 nM IC50 J. Med. Chem. (2013) 56: 4975-4989 [PMID:23710549]
ChEMBL Inhibition of NorA in Staphylococcus aureus SA-1199B expressing GrlA A116E mutant assessed as reduction in EtBr efflux incubated for 5 mins by fluorescence based assay B 5.04 pIC50 9200 nM IC50 J Med Chem (2018) 61: 7827-7848 [PMID:30067360]
ChEMBL Inhibition of Staphylococcus aureus SA-1199B NorA assessed as reduction in EtBr efflux measured over 5 mins by fluorescence assay B 5.04 pIC50 9200 nM IC50 Eur J Med Chem (2018) 155: 428-433 [PMID:29908437]
ChEMBL Inhibition of Staphylococcus aureus 1199B NorA assessed as reduction in ethidium bromide efflux by fluorescence assay B 5.05 pIC50 9000 nM IC50 J Med Chem (2017) 60: 8268-8297 [PMID:28594170]
ChEMBL Inhibition of norA-mediated ethidium bromide efflux in methicillin-resistant Staphylococcus aureus SA-1199B by spectrofluorometric analysis B 5.09 pIC50 8200 nM IC50 Bioorg. Med. Chem. (2012) 20: 4514-4521 [PMID:22682300]
ChEMBL Inhibition of NorA efflux pump in Staphylococcus aureus K3092 assessed as inhibition of EtBr efflux B 5.1 pIC50 8000 nM IC50 Antimicrob. Agents Chemother. (2007) 51: 4480-4483 [PMID:17664318]
ChEMBL Inhibition of NorA in Staphylococcus aureus 1199B assessed as inhibition of ethidium bromide efflux dose response curve based fluorometric assay B 5.15 pIC50 7000 nM IC50 J. Med. Chem. (2011) 54: 5722-5736 [PMID:21751791]
5-HT2A receptor/Serotonin 2a (5-HT2a) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL224] [GtoPdb: 6] [UniProtKB: P28223]
ChEMBL Displacement of [125I]DOI from human 5HT2A receptor expressed in HEK293 cell membranes B 6 pKi >1000 nM Ki J Med Chem (2018) 61: 9121-9131 [PMID:30240563]
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 of TEA uptake in Xenopus laevis oocytes F 4.7 pKi >20000 nM Ki Nature (1994) 372: 549-552 [PMID:7990927]
Vesicular monoamine transporter 2/Synaptic vesicular amine transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1893] [GtoPdb: 1012] [UniProtKB: Q05940]
ChEMBL Binding affinity to human VMAT2 expressed in HEK293 cell membranes by scintillation counting method based saturation binding assay B 8.1 pKd 8 nM Kd J Med Chem (2018) 61: 9121-9131 [PMID:30240563]
ChEMBL Displacement of [3H]DHTB from human VMAT2 expressed in HEK293 cell membranes incubated for 90 mins by microbeta scintillation counting method B 6.2 pKi 630 nM Ki J Med Chem (2018) 61: 9121-9131 [PMID:30240563]
ChEMBL Displacement of [3H](+)-syn-Ethyl 1-(2-(2,4-Dioxo-1,2-dihydroquinazolin-3(4H)-yl)ethyl)-4-(4-fluorophenyl)piperidine-3-carboxylate from human VMAT2 expressed in HEK293 cell membranes incubated for 60 mins by scintillation counting method B 6.39 pKi 410 nM Ki J Med Chem (2018) 61: 9121-9131 [PMID:30240563]
GtoPdb - - 7.9 pKi 12 nM Ki Proc Natl Acad Sci USA (1996) 93: 5166-71 [PMID:8643547]
ChEMBL Displacement of [3H]reserpine from human VMAT2 expressed in HEK293 cell membranes incubated for 60 mins by scintillation counting method B 8.28 pKi 5.26 nM Ki J Med Chem (2018) 61: 9121-9131 [PMID:30240563]
ChEMBL Inhibition of human VMAT2 expressed in HEK293 cell membranes assessed as reduction in [3H[-5HT uptake pre-incubated for 10 mins before [3H[-5HT addition and measured after 6 mins B 7.88 pIC50 13.2 nM IC50 J Med Chem (2018) 61: 9121-9131 [PMID:30240563]
Synaptic vesicular amine transporter in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4271] [UniProtKB: Q27963]
ChEMBL Inhibition of dopamine uptake at VMAT in bovine chromaffin granule ghosts B 9 pKi 1 nM Ki J. Med. Chem. (2008) 51: 760-768 [PMID:18220329]
Vesicular monoamine transporter 2/Synaptic vesicular amine transporter in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4295886] [GtoPdb: 1012] [UniProtKB: Q8BRU6]
ChEMBL Inhibition of VMAT2 in C57Bl/6J mouse striatal membranes assessed as reduction in [3H[-5HT uptake pre-incubated for 10 mins before [3H[-5HT addition and measured after 8 mins B 8.75 pIC50 1.79 nM IC50 J Med Chem (2018) 61: 9121-9131 [PMID:30240563]
Vesicular monoamine transporter 1 in Human [GtoPdb: 1011] [UniProtKB: P54219]
GtoPdb - - 7.45 pKi 34 nM Ki Proc Natl Acad Sci USA (1996) 93: 5166-71 [PMID:8643547]

ChEMBL data shown on this page come from version 31:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, Cibrián-Uhalte E, Davies M, Dedman N, Karlsson A, Magariños MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]