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) |
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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 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]
