E-52862 [Ligand Id: 10431] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL2170062 |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| GluN2B/Glutamate [NMDA] receptor subunit epsilon 2 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3442] [GtoPdb: 457] [UniProtKB: Q01097] | ||||||||
| ChEMBL | Displacement of [3H]ifenprodil from GluN2B in mouse LTK cells assessed as inhibition constant measured after 120 mins by scintillation counting method | B | 7.24 | pKi | >58 | nM | Ki | J Med Chem (2023) 66: 4999-5020 [PMID:36946301] |
| Kv11.1/HERG in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL240] [GtoPdb: 572] [UniProtKB: Q12809] | ||||||||
| ChEMBL | Inhibition of human ERG transfected in HEK293 cell membranes by whole cell patch clamp assay | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2012) 55: 8211-8224 [PMID:22784008] |
| ChEMBL | Inhibition of human ERG expressed in CHO cells at -80 mV holding potential by whole cell patch clamp assay | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2015) 58: 2441-2451 [PMID:25658964] |
| ChEMBL | Inhibition of human ERG expressed in CHO cells at -80 mV holding potential by whole cell patch clamp assay | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2020) 63: 15508-15526 [PMID:33064947] |
| ChEMBL | Inhibition of human ERG expressed in CHO cells by patch clamp assay | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2020) 63: 14979-14988 [PMID:33237785] |
| H3 receptor/Histamine H3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL264] [GtoPdb: 264] [UniProtKB: Q9Y5N1] | ||||||||
| ChEMBL | Displacement of [3H]Nalpha-methylhistamine from recombinant human histamine H3 receptor stably expressed in HEK293 cells assessed as inhibition constant by competitive binding based radioligand depletion assay | B | 5 | pKi | >10000 | nM | Ki | J Med Chem (2023) 66: 9658-9683 [PMID:37418295] |
| μ receptor/Mu opioid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL233] [GtoPdb: 319] [UniProtKB: P35372] | ||||||||
| ChEMBL | Displacement of [3H]-DAMGO from human MOR expressed in CHOK1 cell membranes incubated for 60 mins by liquid scintillation counting method | B | 5 | pKi | >10000 | nM | Ki | J Med Chem (2020) 63: 2434-2454 [PMID:31743642] |
| ChEMBL | Displacement of [3H]-DAMGO from human MOR expressed in CHOK1 cell membranes incubated for 60 mins by liquid scintillation counting method | B | 5 | pKi | >10000 | nM | Ki | J Med Chem (2020) 63: 15508-15526 [PMID:33064947] |
| ChEMBL | Displacement of [3H]-DAMGO from human MOR expressed in CHO-K1 cell membranes incubated for 60 mins measured by MicroBeta scintillation counter method | B | 5 | pKi | >10000 | nM | Ki | J Med Chem (2021) 64: 10139-10154 [PMID:34236190] |
| ChEMBL | Agonist activity at human MOR expressed in CHOK1 cells assessed as stimulation of cAMP accumulation incubated for 45 mins by HTRF assay | F | 5 | pEC50 | >10000 | nM | EC50 | J Med Chem (2020) 63: 2434-2454 [PMID:31743642] |
| ChEMBL | Agonist activity at human MOR expressed in CHOK1 cells assessed as stimulation of cAMP accumulation incubated for 45 mins by HTRF assay | F | 5 | pEC50 | >10000 | nM | EC50 | J Med Chem (2020) 63: 15508-15526 [PMID:33064947] |
| ChEMBL | Agonist activity at human MOR expressed in CHO-K1 cells assessed as reduction in forskolin-induced cAMP production incubated for 45 mins by by HTRF assay | F | 5 | pEC50 | >10000 | nM | EC50 | J Med Chem (2021) 64: 10139-10154 [PMID:34236190] |
| 5-HT2B receptor/Serotonin 2b (5-HT2b) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1833] [GtoPdb: 7] [UniProtKB: P41595] | ||||||||
| ChEMBL | Binding affinity to human 5HT2B receptor | B | 6.48 | pKi | 328 | nM | Ki | J Med Chem (2012) 55: 8211-8224 [PMID:22784008] |
| ChEMBL | Antagonist activity at human 5HT2B receptor | F | 5.33 | pIC50 | 4700 | nM | IC50 | J Med Chem (2012) 55: 8211-8224 [PMID:22784008] |
| Sigma-1 receptor in Guinea pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4153] [UniProtKB: Q60492] | ||||||||
| ChEMBL | Displacement of [3H]-(+)-pentazocine from guinea pig brain membrane sigma 1 receptor assessed as inhibition constant measured after 120 mins by scintillation counting method | B | 6 | pKi | >1000 | nM | Ki | J Med Chem (2023) 66: 4999-5020 [PMID:36946301] |
| ChEMBL | Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane assessed as inhibition constant by liquid scintillation counter analysis | B | 7.77 | pKi | 17 | nM | Ki | J Med Chem (2023) 66: 9658-9683 [PMID:37418295] |
| ChEMBL | Displacement of [3H]-pentazocine from sigma1 receptor in guinea pig brain membrane at 1 uM by liquid scintillation counting analysis relative to control | B | 7.89 | pKi | 12.9 | nM | Ki | Eur J Med Chem (2023) 249: 115178-115178 [PMID:36753922] |
| ChEMBL | Displacement of [3H]-(+)-pentazocine from Sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 180 mins by liquid scintillation counting analysis | B | 7.98 | pKi | 10.5 | nM | Ki | J Med Chem (2016) 59: 2942-2961 [PMID:27003636] |
| ChEMBL | Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in Dunkin Hartley guinea pig membrane after 180 mins by liquid scintillation counting analysis | B | 7.98 | pKi | 10.5 | nM | Ki | Eur J Med Chem (2014) 79: 216-230 [PMID:24735647] |
| ChEMBL | Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes by microbeta scintillation counting method | B | 8.19 | pKi | 6.5 | nM | Ki | Eur J Med Chem (2022) 241: 114649-114649 [PMID:35961067] |
| ChEMBL | Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes incubated for 1 hr by liquid scintillation counting method | B | 8.52 | pKi | 3 | nM | Ki | J Med Chem (2021) 64: 890-904 [PMID:33372782] |
| σ2/Sigma intracellular receptor 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4105907] [GtoPdb: 2553] [UniProtKB: Q5BJF2] | ||||||||
| ChEMBL | Displacement of [3H]-DTG from sigma-2 receptor in human Jurkat cell membrane incubated for 1 hr by liquid scintillation counting method | B | 6 | pKi | >1000 | nM | Ki | J Med Chem (2021) 64: 890-904 [PMID:33372782] |
| ChEMBL | Binding affinity to human sigma 2 receptor | B | 6 | pKi | >1000 | nM | Ki | Bioorg Med Chem (2022) 73: 117032-117032 [PMID:36202063] |
| σ2/Sigma intracellular receptor 2 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4105864] [GtoPdb: 2553] [UniProtKB: Q5U3Y7] | ||||||||
| ChEMBL | Displacement of (+)-[3H]DTG from sigma 2 receptor in SPRD rat liver membrane incubated for 2 hrs by liquid scintillation counting method | B | 5.03 | pKi | 9300 | nM | Ki | RSC Med Chem (2021) 12: 1000-1004 [PMID:34223165] |
| ChEMBL | Displacement of [3H]DTG from sigma 2 receptor in Sprague-Dawley rat liver assessed as inhibition constant by liquid scintillation counter analysis | B | 5.03 | pKi | 9300 | nM | Ki | J Med Chem (2023) 66: 9658-9683 [PMID:37418295] |
| sigma non-opioid intracellular receptor 1/Sigma opioid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL287] [GtoPdb: 2552] [UniProtKB: Q99720] | ||||||||
| ChEMBL | Displacement of [3H]-pentazocine from sigma-1 receptor in human Jurkat cell membrane incubated for 2 hr by liquid scintillation counting method | B | 7.62 | pKi | 24 | nM | Ki | J Med Chem (2021) 64: 890-904 [PMID:33372782] |
| ChEMBL | Displacement of [3H]-(+)-pentazocine from human sigma1 receptor transfected in HEK293 cells after 120 mins by liquid scintillation counting analysis | B | 7.77 | pKi | 17 | nM | Ki | J Med Chem (2013) 56: 3656-3665 [PMID:23560650] |
| ChEMBL | Displacement of [3H](+)-pentazocine from human sigma 1 receptor transfected in HEK293 cells after 120 mins by liquid scintillation counting | B | 7.77 | pKi | 17 | nM | Ki | J Med Chem (2015) 58: 2441-2451 [PMID:25658964] |
| ChEMBL | Displacement of [3H]-(+)-pentazocine from human sigma 1 receptor transfected in HEK293 cells after 120 mins by liquid scintillation counting method | B | 7.77 | pKi | 17 | nM | Ki | Medchemcomm (2017) 8: 1235-1245 [PMID:30108834] |
| ChEMBL | Displacement of [3H]-(+)-pentazocine from recombinant human sigma1 receptor expressed in HEK293 cell membranes after 120 mins by microbeta scintillation counting method | B | 7.77 | pKi | 17 | nM | Ki | Medchemcomm (2017) 8: 1246-1254 [PMID:30108835] |
| ChEMBL | Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 membranes incubated for 120 mins by liquid scintillation counting method | B | 7.77 | pKi | 17 | nM | Ki | J Med Chem (2020) 63: 2434-2454 [PMID:31743642] |
| ChEMBL | Displacement of [3H]-(+)-pentazocine from recombinant human sigma1 receptor expressed in HEK293 cell membranes after 120 mins by microbeta scintillation counting method | B | 7.77 | pKi | 17 | nM | Ki | Bioorg Med Chem (2019) 27: 1824-1835 [PMID:30904383] |
| ChEMBL | Displacement of 3H](+)-pentazocine from human sigma1 receptor expressed in HEK293 cell membranes incubated for 120 mins by liquid scintillation counting method | B | 7.77 | pKi | 17 | nM | Ki | J Med Chem (2020) 63: 15508-15526 [PMID:33064947] |
| ChEMBL | Displacement of [3H]-(+)-pentazocine from human sigma1 receptor expressed in HEK293 cell membranes incubated for 120 mins by liquid scintillation counting method | B | 7.77 | pKi | 17 | nM | Ki | J Med Chem (2020) 63: 14979-14988 [PMID:33237785] |
| ChEMBL | Displacement of [3H]pentazocine from human sigma 1 receptor expressed in HEK293 cell membrane incubated for 2 hrs by liquid scintillation counting method | B | 7.77 | pKi | 17 | nM | Ki | RSC Med Chem (2021) 12: 1000-1004 [PMID:34223165] |
| ChEMBL | Binding affinity to human sigma-1 receptor | B | 7.77 | pKi | 17 | nM | Ki | J Med Chem (2021) 64: 890-904 [PMID:33372782] |
| ChEMBL | Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor transfected in HEK293 membranes incubated for 120 mins measured by microBeta scintillation counter method | B | 7.77 | pKi | 17 | nM | Ki | J Med Chem (2021) 64: 10139-10154 [PMID:34236190] |
| ChEMBL | Displacement of [3H]-(+)-pentazocine from human sigma1 receptor transfected in HEK293 cell membranes assessed as inhibition constant measured after 120 mins by liquid scintillation counting analysis | B | 7.77 | pKi | 17 | nM | Ki | J Med Chem (2021) 64: 5157-5170 [PMID:33826322] |
| ChEMBL | Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter | B | 7.77 | pKi | 17 | nM | Ki | J Med Chem (2012) 55: 8211-8224 [PMID:22784008] |
| ChEMBL | Binding affinity to human sigma 1 receptor | B | 7.77 | pKi | 17 | nM | Ki | Bioorg Med Chem (2022) 73: 117032-117032 [PMID:36202063] |
| GtoPdb | Binding affinity to human σ1R in transfected HEK-293 membranes using [3H](+)-pentazocine as radioligand. | - | 7.77 | pKi | 17 | nM | Ki | J Med Chem (2012) 55: 8211-24 [PMID:22784008] |
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]
