MK-3697 [Ligand Id: 9307] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL3338865 |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| OX1 receptor/Orexin receptor 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5113] [GtoPdb: 321] [UniProtKB: O43613] | ||||||||
| GtoPdb | - | - | 5.44 | pKi | 3600 | nM | Ki | Bioorg Med Chem Lett (2014) 24: 4884-90 [PMID:25248679] |
| ChEMBL | Displacement of N-cyclobutyl-5-methyl-N-(2-([3H]-1-methyl-1H-benzo[d]imidazol-2-ylthio)ethyl)-2-(2H-1,2,3-triazol-2-yl)benzamide from human OX1R I408V mutant expressed in CHO cells by topcount analysis | B | 5.44 | pKi | 3600 | nM | Ki | Bioorg Med Chem Lett (2014) 24: 4884-4890 [PMID:25248679] |
| GtoPdb | - | - | 5.5 | pKi | - | - | - | Sci Rep (2022) 12: 8473 [PMID:35589803] |
| ChEMBL | Antagonist activity at human OX1R I408V mutant expressed in CHO cells assessed as inhibition of Ala-6,12-orexinA-induced effect after 5 mins by FLIPR assay | B | 5.7 | pIC50 | 1986 | nM | IC50 | Bioorg Med Chem Lett (2014) 24: 4884-4890 [PMID:25248679] |
| OX1 receptor in Dog [GtoPdb: 321] | ||||||||
| GtoPdb | - | - | 5.5 | pKi | - | - | - | Sci Rep (2022) 12: 8473 [PMID:35589803] |
| OX1 receptor in Mouse [GtoPdb: 321] [UniProtKB: P58307] | ||||||||
| GtoPdb | - | - | 5.4 | pKi | - | - | - | Sci Rep (2022) 12: 8473 [PMID:35589803] |
| OX1 receptor in Rat [GtoPdb: 321] [UniProtKB: P56718] | ||||||||
| GtoPdb | - | - | 5.6 | pKi | - | - | - | Sci Rep (2022) 12: 8473 [PMID:35589803] |
| OX2 receptor/Orexin receptor 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4792] [GtoPdb: 322] [UniProtKB: O43614] | ||||||||
| ChEMBL | Displacement of (S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-([3H]-1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R expressed in CHO cells after 3 hrs by topcount analysis | B | 8.96 | pKi | 1.1 | nM | Ki | Bioorg Med Chem Lett (2014) 24: 4884-4890 [PMID:25248679] |
| GtoPdb | - | - | 8.96 | pKi | 1.1 | nM | Ki | Bioorg Med Chem Lett (2014) 24: 4884-90 [PMID:25248679] |
| GtoPdb | - | - | 9 | pKi | - | - | - | Sci Rep (2022) 12: 8473 [PMID:35589803] |
| ChEMBL | FLIPR Ca2+ Flux Assay: Assay methodology using FLIPR Ca2+ Flux Assay (Okumura et al., Biochem. Biophys. Res. Comm. 280:976-981, 2001). | F | 9.02 | pKi | 0.95 | nM | Ki | US-8592457-B2. Isonicotinamide orexin receptor antagonists (2013) |
| ChEMBL | Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of Ala-6,12-orexinA-induced effect after 5 mins by FLIPR assay | B | 7.8 | pIC50 | 16 | nM | IC50 | Bioorg Med Chem Lett (2014) 24: 4884-4890 [PMID:25248679] |
| OX2 receptor in Dog [GtoPdb: 322] | ||||||||
| GtoPdb | - | - | 9 | pKi | - | - | - | Sci Rep (2022) 12: 8473 [PMID:35589803] |
| OX2 receptor in Mouse [GtoPdb: 322] [UniProtKB: P58308, P58308-2] | ||||||||
| GtoPdb | - | - | 8.8 | pKi | - | - | - | Sci Rep (2022) 12: 8473 [PMID:35589803] |
| OX2 receptor in Rat [GtoPdb: 322] [UniProtKB: P56719] | ||||||||
| GtoPdb | - | - | 8.7 | pKi | - | - | - | Sci Rep (2022) 12: 8473 [PMID:35589803] |
| GtoPdb | - | - | 8.7 | pKi | - | - | - | Sci Rep (2022) 12: 8473 [PMID:35589803] |
| Pregnane X receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3401] [GtoPdb: 606] [UniProtKB: O75469] | ||||||||
| ChEMBL | Activation of PXR (unknown origin) | B | 4.52 | pEC50 | >30000 | nM | EC50 | Bioorg Med Chem Lett (2014) 24: 4884-4890 [PMID:25248679] |
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]
