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ChEMBL ligand: CHEMBL1186579 (Methylnaltrexone, Methylnaltrexone cation, Methylnaltrexone ion, MRZ-2663) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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δ receptor/Delta opioid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL236] [GtoPdb: 317] [UniProtKB: P41143] | ||||||||
ChEMBL | Displacement of [3H]-DADLE from human recombinant delta opioid receptor by radioligand binding assay | B | 5.46 | pKi | 3454 | nM | Ki | J Med Chem (2022) 65: 4991-5003 [PMID:35255683] |
GtoPdb | - | - | 6.05 | pKi | 900 | nM | Ki | Bioorg Med Chem Lett (2009) 19: 2289-94 [PMID:19282177] |
ChEMBL | Displacement of [3H]DPN from recombinant human delta opioid receptor expressed in CHOK1 cell membranes | B | 6.3 | pKi | 501.19 | nM | Ki | Bioorg Med Chem Lett (2017) 27: 2926-2930 [PMID:28499731] |
ChEMBL | Antagonist activity at human recombinant delta opioid receptor assessed as reduction in SNC80 induced [3S]-GTPgammaS binding | F | 5 | pEC50 | >10000 | nM | EC50 | J Med Chem (2022) 65: 4991-5003 [PMID:35255683] |
κ receptor/Kappa opioid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL237] [GtoPdb: 318] [UniProtKB: P41145] | ||||||||
ChEMBL | Displacement of [3H]-U69593 from human recombinant kappa opioid receptor by radioligand binding assay | B | 7.49 | pKi | 32.1 | nM | Ki | J Med Chem (2022) 65: 4991-5003 [PMID:35255683] |
GtoPdb | - | - | 8.2 | pKi | 6.3 | nM | Ki | Bioorg Med Chem Lett (2009) 19: 2289-94 [PMID:19282177] |
ChEMBL | Antagonist activity at human recombinant kappa opioid receptor assessed as reduction in U50,488H-induced [3S]-GTPgammaS binding | F | 5 | pEC50 | >10000 | nM | EC50 | J Med Chem (2022) 65: 4991-5003 [PMID:35255683] |
Kappa opioid receptor in Guinea pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3952] [UniProtKB: P41144] | ||||||||
ChEMBL | Displacement of [3H]DPN from guinea pig kappa opioid receptor expressed in CHOK1 cell membranes | B | 7.7 | pKi | 19.95 | nM | Ki | Bioorg Med Chem Lett (2017) 27: 2926-2930 [PMID:28499731] |
μ receptor/Mu opioid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL233] [GtoPdb: 319] [UniProtKB: P35372] | ||||||||
ChEMBL | Displacement of [3H]DPN from recombinant human mu opioid receptor expressed in CHOK1 cell membranes | B | 8.1 | pKi | 7.94 | nM | Ki | Bioorg Med Chem Lett (2017) 27: 2926-2930 [PMID:28499731] |
ChEMBL | Displacement of [3H]-DAMGO from human recombinant mu opioid receptor by radioligand binding assay | B | 8.26 | pKi | 5.5 | nM | Ki | J Med Chem (2022) 65: 4991-5003 [PMID:35255683] |
GtoPdb | Displacement of [3H]DAMGO from human μ opioid receptors expressed in CHO cells | - | 8.7 | pKi | 2 | nM | Ki | Bioorg Med Chem Lett (2009) 19: 2289-94 [PMID:19282177] |
ChEMBL | Antagonist activity at human recombinant mu opioid receptor assessed as reduction in DAMGO-induced [3S]-GTPgammaS binding | F | 5 | pEC50 | >10000 | nM | EC50 | J Med Chem (2022) 65: 4991-5003 [PMID:35255683] |
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]