MSX-2 [Ligand Id: 5610] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL413079 |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| A1 receptor/Adenosine A1 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL226] [GtoPdb: 18] [UniProtKB: P30542] | ||||||||
| GtoPdb | - | - | 5.6 | pKi | 2500 | nM | Ki | J Med Chem (2000) 43: 440-8 [PMID:10669571] |
| ChEMBL | Binding affinity against human adenosine A1 receptor using [3H]-CCPA (95% confidence) | B | 5.6 | pKi | 2500 | nM | Ki | J Med Chem (2000) 43: 440-448 [PMID:10669571] |
| ChEMBL | Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells | B | 5.6 | pKi | 2500 | nM | Ki | Bioorg Med Chem (2013) 21: 7435-7452 [PMID:24139167] |
| ChEMBL | Binding affinity to human adenosine A1 receptor | B | 5.6 | pKi | 2500 | nM | Ki | Bioorg Med Chem (2013) 21: 7435-7452 [PMID:24139167] |
| A1 receptor/Adenosine A1 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL318] [GtoPdb: 18] [UniProtKB: P25099] | ||||||||
| ChEMBL | Binding affinity against adenosine A1 receptor of rat brain cortical membranes using [3H]CHA | B | 6.05 | pKi | 900 | nM | Ki | J Med Chem (2000) 43: 440-448 [PMID:10669571] |
| ChEMBL | Displacement of [3H]CHA from adenosine A1 receptor in rat brain cortical membrane | B | 6.05 | pKi | 900 | nM | Ki | Eur J Med Chem (2011) 46: 3590-3607 [PMID:21664729] |
| ChEMBL | Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortex | B | 6.05 | pKi | 900 | nM | Ki | Bioorg Med Chem (2013) 21: 7435-7452 [PMID:24139167] |
| ChEMBL | Binding affinity to rat adenosine A1 receptor | B | 6.05 | pKi | 900 | nM | Ki | Bioorg Med Chem (2013) 21: 7435-7452 [PMID:24139167] |
| ChEMBL | Inhibition of rat recombinant adenosine A1 receptor | B | 6.05 | pKi | 900 | nM | Ki | J Med Chem (2014) 57: 3623-3650 [PMID:24164628] |
| GtoPdb | - | - | 6.05 | pKi | 900 | nM | Ki | J Med Chem (2000) 43: 440-8 [PMID:10669571] |
| A2A receptor/Adenosine A2a receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL251] [GtoPdb: 19] [UniProtKB: P29274] | ||||||||
| ChEMBL | Binding affinity against human post-mortem brain adenosine A2A receptor using nuclei caudati and [3H]-CGS-21,680 | B | 7.82 | pKi | 15 | nM | Ki | J Med Chem (2000) 43: 440-448 [PMID:10669571] |
| ChEMBL | Displacement of [3H]MSX-2 from human adenosine A2A receptor expressed in CHO cells | B | 8.27 | pKi | 5.38 | nM | Ki | Bioorg Med Chem (2013) 21: 7435-7452 [PMID:24139167] |
| ChEMBL | Binding affinity to human adenosine A2A receptor | B | 8.27 | pKi | 5.38 | nM | Ki | Bioorg Med Chem (2013) 21: 7435-7452 [PMID:24139167] |
| GtoPdb | - | - | 8.27 | pKi | 5.38 | nM | Ki | J Med Chem (2000) 43: 440-8 [PMID:10669571] |
| ChEMBL | Binding affinity against human adenosine A2A receptor using [3H]CGS-21680 (95% confidence) | B | 8.3 | pKi | 5 | nM | Ki | J Med Chem (2000) 43: 440-448 [PMID:10669571] |
| A2A receptor/Adenosine A2a receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL302] [GtoPdb: 19] [UniProtKB: P30543] | ||||||||
| GtoPdb | - | - | 8.09 | pKi | 8.04 | nM | Ki |
J Med Chem (2000) 43: 440-8 [PMID:10669571]; Eur J Pharm Sci (2000) 10: 259-65 [PMID:10838015] |
| ChEMBL | Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatum | B | 8.09 | pKi | 8.04 | nM | Ki | Bioorg Med Chem (2013) 21: 7435-7452 [PMID:24139167] |
| ChEMBL | Binding affinity to rat adenosine A2A receptor | B | 8.09 | pKi | 8.04 | nM | Ki | Bioorg Med Chem (2013) 21: 7435-7452 [PMID:24139167] |
| ChEMBL | Binding affinity against adenosine A2A receptor of rat brain striatal membranes using [3H]CGS-21680 | B | 8.1 | pKi | 8 | nM | Ki | J Med Chem (2000) 43: 440-448 [PMID:10669571] |
| ChEMBL | Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain striatal membrane | B | 8.1 | pKi | 8 | nM | Ki | Eur J Med Chem (2011) 46: 3590-3607 [PMID:21664729] |
| ChEMBL | Inhibition of rat recombinant adenosine receptor A2a | B | 8.3 | pKi | 5 | nM | Ki | J Med Chem (2014) 57: 3623-3650 [PMID:24164628] |
| A2B receptor/Adenosine A2b receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL255] [GtoPdb: 20] [UniProtKB: P29275] | ||||||||
| ChEMBL | Inhibition of NECA-induced stimulation of adenylate cyclase at human adenosine A2B receptor | F | 5 | pKi | >10000 | nM | Ki | J Med Chem (2000) 43: 440-448 [PMID:10669571] |
| ChEMBL | Displacement of [3H]PSB-603 from human adenosine A2B receptor | B | 5 | pKi | >10000 | nM | Ki | Bioorg Med Chem (2013) 21: 7435-7452 [PMID:24139167] |
| ChEMBL | Binding affinity to human adenosine A2B receptor | B | 5 | pKi | >10000 | nM | Ki | Bioorg Med Chem (2013) 21: 7435-7452 [PMID:24139167] |
| ChEMBL | Inhibition of human recombinant adenosine receptor A2b | B | 5.54 | pKi | 2900 | nM | Ki | J Med Chem (2014) 57: 3623-3650 [PMID:24164628] |
| GtoPdb | - | - | 5.54 | pKi | 2900 | nM | Ki |
J Med Chem (2000) 43: 440-8 [PMID:10669571]; Psychopharmacology (Berl.) (2005) 179: 576-86 [PMID:15696333] |
| A3 receptor/Adenosine A3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL256] [GtoPdb: 21] [UniProtKB: P0DMS8] | ||||||||
| GtoPdb | - | - | 5 | pKi | >10000 | nM | Ki | J Med Chem (2000) 43: 440-8 [PMID:10669571] |
| ChEMBL | Binding affinity against human adenosine A3 receptor in CHO cell membranes using [3H]NECA | B | 5 | pKi | >10000 | nM | Ki | J Med Chem (2000) 43: 440-448 [PMID:10669571] |
| ChEMBL | Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed in CHO cells | B | 5 | pKi | >10000 | nM | Ki | Bioorg Med Chem (2013) 21: 7435-7452 [PMID:24139167] |
| ChEMBL | Binding affinity to human adenosine A3 receptor | B | 5 | pKi | >10000 | nM | Ki | Bioorg Med Chem (2013) 21: 7435-7452 [PMID:24139167] |
| A3 receptor/Adenosine A3 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3360] [GtoPdb: 21] [UniProtKB: P28647] | ||||||||
| ChEMBL | Inhibition of rat recombinant adenosine A3 receptor | B | 5 | pKi | >10000 | nM | Ki | J Med Chem (2014) 57: 3623-3650 [PMID:24164628] |
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]
