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, Reserpina, Reserpine, Reserpinum, Sandril, Serpalan, Serpanray, Serpasil, Serpate, Serpivite)
  • acetylcholinesterase (Yt blood group)/Acetylcholinesterase in Human [ChEMBL: CHEMBL220] [GtoPdb: 2465] [UniProtKB: P22303]
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  • ABCG2/ATP-binding cassette sub-family G member 2 in Human [ChEMBL: CHEMBL5393] [GtoPdb: 792] [UniProtKB: Q9UNQ0]
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  • butyrylcholinesterase/Butyrylcholinesterase in Human [ChEMBL: CHEMBL1914] [GtoPdb: 2471] [UniProtKB: P06276]
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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/Vesicular amine transporter 1 in Human [ChEMBL: CHEMBL1838] [GtoPdb: 1011] [UniProtKB: P54219]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
acetylcholinesterase (Yt blood group)/Acetylcholinesterase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL220] [GtoPdb: 2465] [UniProtKB: P22303]
ChEMBL Inhibition of human AChE B 5.77 pIC50 1700 nM IC50 Eur J Med Chem (2022) 242: 114695-114695 [PMID:36044812]
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]
ChEMBL Inhibition of ABCG2 (unknown origin) expressed in human NCI-H460 cells mediated pheophorbide A efflux for 2 to 20 hr by fluorescence plate reader analysis B 4.93 pIC50 11800 nM IC50 Eur J Med Chem (2022) 237: 114346-114346 [PMID:35483322]
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]
butyrylcholinesterase/Butyrylcholinesterase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1914] [GtoPdb: 2471] [UniProtKB: P06276]
ChEMBL Inhibition of human BChE B 5.55 pIC50 2800 nM IC50 Eur J Med Chem (2022) 242: 114695-114695 [PMID:36044812]
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 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 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 NorA efflux pump in Staphylococcus aureus 1199B overexpressing NorA gene assessed as reduction in EtBr efflux inhibition by spectrofluorometric assay B 5.05 pIC50 9000 nM IC50 Bioorg Med Chem (2023) 80: 117187-117187 [PMID:36731248]
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 Substrate uptake and inhibition of the Vesicular Amine Transporter 2 (VMAT2, SLC18A2) as assessed by uptake of a fluorescent substrate (FFN206) in HEK-293 JumpIN-SLC18A2 cells (PubChem AID: 1794817) F 7.81 pIC50 15.5 nM IC50 FFN206 based assay for SLC18A2 using HEK-293 SLC18A2 OE cells
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/Vesicular amine transporter 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1838] [GtoPdb: 1011] [UniProtKB: P54219]
GtoPdb - - 7.45 pKi 34 nM Ki Proc Natl Acad Sci USA (1996) 93: 5166-71 [PMID:8643547]
ChEMBL Substrate uptake and inhibition of the chromaffin granule amine transporter (VAT1, VMAT1, SLC18A1) as assessed by uptake of a fluorescent substrate (FFN206) in HEK-293 JumpIN-SLC18A1 cells (PubChem AID: 1794818) F 7.3 pIC50 50 nM IC50 FFN206 based assay for SLC18A1 using HEK-293 SLC18A1 OE cells

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]