ibogaine [Ligand Id: 13148] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL1215855 |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5465308] [UniProtKB: Q2KIP6] | ||||||||
| ChEMBL | Displacement of [3H]-U69593 from calf cortex KOR receptor assessed as inhibition constant | B | 8.66 | pKi | 2.2 | nM | Ki | J Med Chem (2023) 66: 107-121 [PMID:36440853] |
| Mu opioid receptor in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3041] [UniProtKB: P79350] | ||||||||
| ChEMBL | Displacement of [3H]-DAGO from calf cortex MOR receptor assessed as inhibition constant | B | 8.7 | pKi | 2 | nM | Ki | J Med Chem (2023) 66: 107-121 [PMID:36440853] |
| Muscarinic acetylcholine receptor M1 in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2672] [UniProtKB: Q8WMX0] | ||||||||
| ChEMBL | Displacement of [3H]-pirenzepine from calf cortex Muscarinic M1 receptor assessed as inhibition constant | B | 7.8 | pKi | 16 | nM | Ki | J Med Chem (2023) 66: 107-121 [PMID:36440853] |
| nicotinic acetylcholine receptor β4 subunit/nicotinic acetylcholine receptor α3 subunit/Neuronal acetylcholine receptor; alpha3/beta4 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL1907594] [GtoPdb: 474, 464] [UniProtKB: P30926, P32297] | ||||||||
| ChEMBL | Displacement of [3H]Ibogaine from human alpha3beta4 nAChRs expressed in HEK293 cells assessed as inhibition constant incubated for 2 hrs by scintillation counter analysis | B | 8.98 | pKi | 1.05 | nM | Ki | J Med Chem (2023) 66: 107-121 [PMID:36440853] |
| ChEMBL | Antagonist activity at human alpha3beta4 nAChRs expressed in HEK293 cells assessed as inhibition of (+/-)-epibatidine-induced Ca+2 influx incubated for 5 mins by FLIPR analysis | B | 6.02 | pIC50 | 950 | nM | IC50 | J Med Chem (2023) 66: 107-121 [PMID:36440853] |
| ChEMBL | Antagonist activity at recombinant alpha3beta4 nAChR in HEK293 cells by voltage-clamp based electrophysiological method | B | 6.66 | pIC50 | 220 | nM | IC50 | J Med Chem (2023) 66: 107-121 [PMID:36440853] |
| nicotinic acetylcholine receptor β2 subunit/nicotinic acetylcholine receptor α4 subunit/Neuronal acetylcholine receptor; alpha4/beta2 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL1907589] [GtoPdb: 472, 465] [UniProtKB: P17787, P43681] | ||||||||
| ChEMBL | Antagonist activity at alpha4beta2 nAChR in HEK293 cells by voltage-clamp based electrophysiological method | B | 6 | pIC50 | 1000 | nM | IC50 | J Med Chem (2023) 66: 107-121 [PMID:36440853] |
| SERT/Serotonin transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL228] [GtoPdb: 928] [UniProtKB: P31645] | ||||||||
| GtoPdb | - | - | 6.3 | pIC50 | 500 | nM | IC50 | ACS Med Chem Lett (2022) 13: 888-890 [PMID:35707155] |
| ChEMBL | Inhibition of human SERT transfected in HEK cells using APP+ as fluorescent substrate preincubated for 1 hr followed by substrate addition and measured after 30 mins by fluorescence plate reader assay | B | 6.3 | pIC50 | 500 | nM | IC50 | ACS Med Chem Lett (2022) 13: 888-890 [PMID:35707155] |
| σ2/Sigma intracellular receptor 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4105907] [GtoPdb: 2553] [UniProtKB: Q5BJF2] | ||||||||
| ChEMBL | Binding affinity to sigma-2 receptor (unknown origin) | B | 7.04 | pKi | 90.4 | nM | Ki | Eur J Med Chem (2018) 147: 227-237 [PMID:29438891] |
| Sigma intracellular receptor 2 in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5465309] [UniProtKB: Q3MHW7] | ||||||||
| ChEMBL | Displacement of [3H]-DTG from calf hippocampus sigma 2 receptor assessed as inhibition constant | B | 9.4 | pKi | 0.4 | nM | Ki | J Med Chem (2023) 66: 107-121 [PMID:36440853] |
| sigma non-opioid intracellular receptor 1/Sigma opioid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL287] [GtoPdb: 2552] [UniProtKB: Q99720] | ||||||||
| ChEMBL | Binding affinity to sigma-1 receptor (unknown origin) | B | 5.03 | pKi | 9310 | nM | Ki | Eur J Med Chem (2018) 147: 227-237 [PMID:29438891] |
| Vesicular monoamine transporter 2/Synaptic vesicular amine transporter in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4828] [GtoPdb: 1012] [UniProtKB: Q01827] | ||||||||
| ChEMBL | Inhibition of rat VMAT2 transfected in HEK cells using FFN206 as fluorescent substrate preincubated for 1 hr followed by substrate addition and measured after 30 mins by fluorescence plate reader assay | B | 5.4 | pIC50 | 4000 | nM | IC50 | ACS Med Chem Lett (2022) 13: 888-890 [PMID:35707155] |
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]
