EST73502 [Ligand Id: 12777] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL4781352
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  • μ receptor/Mu opioid receptor in Human [ChEMBL: CHEMBL233] [GtoPdb: 319] [UniProtKB: P35372]
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  • sigma non-opioid intracellular receptor 1/Sigma opioid receptor in Human [ChEMBL: CHEMBL287] [GtoPdb: 2552] [UniProtKB: Q99720]
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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 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]
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 CHO-K1 cell membranes incubated for 90 mins measured by MicroBeta scintillation counter method B 6.93 pKi 118 nM Ki Eur J Med Chem (2022) 241: 114649-114649 [PMID:35961067]
ChEMBL Displacement of [3H]-DAMGO from human MOR expressed in CHOK1 cell membranes incubated for 60 mins by liquid scintillation counting method B 7.19 pKi 64 nM Ki J Med Chem (2020) 63: 15508-15526 [PMID:33064947]
ChEMBL Agonist activity at human MOR expressed in CHOK1 cells assessed as stimulation of cAMP accumulation incubated for 45 mins by HTRF assay F 7.28 pEC50 52 nM EC50 J Med Chem (2020) 63: 15508-15526 [PMID:33064947]
ChEMBL Agonist activity at mu-opioid receptor (unknown origin) F 7.28 pEC50 52 nM EC50 J Med Chem (2023) 66: 16257-16275 [PMID:38015878]
Sigma-1 receptor in Guinea pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4153] [UniProtKB: Q60492]
ChEMBL Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes by microbeta scintillation counting method B 7.19 pKi 64 nM Ki Eur J Med Chem (2022) 241: 114649-114649 [PMID:35961067]
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 human sigma1 receptor expressed in HEK293 cell membranes incubated for 120 mins by liquid scintillation counting method B 6.93 pKi 118 nM Ki J Med Chem (2020) 63: 15508-15526 [PMID:33064947]
ChEMBL Antagonist activity at sigma1 receptor (unknown origin) B 6.93 pKi 118 nM Ki J Med Chem (2023) 66: 16257-16275 [PMID:38015878]
GtoPdb - - 6.93 pKi 118 nM Ki J Med Chem (2020) 63: 15508-15526 [PMID:33064947]

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]