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 |
|---|---|---|---|---|---|---|---|---|
| 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] |
| 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 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 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 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] |
| 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] |
| 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 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 | 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] |
| 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 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]
