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 |
|---|---|---|---|---|---|---|---|---|
| Pregnane X receptor/Nuclear receptor subfamily 1 group I member 2 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] |
| OX1 receptor/Orexin/Hypocretin receptor type 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 type 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] |
ChEMBL data shown on this page come from version 36:
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]
