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ChEMBL ligand: CHEMBL431770 (Istradefylline, KW-6002, Nourianz, Nouriast) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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A1 receptor/Adenosine A1 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL226] [GtoPdb: 18] [UniProtKB: P30542] | ||||||||
ChEMBL | Antagonist activity at human adenosine A1 receptor | B | 5.52 | pKi | 3000 | nM | Ki | Bioorg Med Chem Lett (2015) 25: 1212-1216 [PMID:25701253] |
ChEMBL | Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting | B | 5.52 | pKi | 3000 | nM | Ki | Bioorg Med Chem Lett (2010) 20: 5241-5244 [PMID:20659802] |
ChEMBL | Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells after 30 mins by scintillation counting | B | 5.52 | pKi | 3000 | nM | Ki | J Med Chem (2011) 54: 751-764 [PMID:21210664] |
ChEMBL | Inhibition of human recombinant adenosine A1 receptor | B | 5.55 | pKi | 2830 | nM | Ki | J Med Chem (2014) 57: 3623-3650 [PMID:24164628] |
ChEMBL | Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells | B | 5.55 | pKi | 2830 | nM | Ki | J Med Chem (2013) 56: 4580-4596 [PMID:23631427] |
ChEMBL | Inhibition of human adenosine A1 receptor | B | 5.55 | pKi | 2830 | nM | Ki | J Med Chem (2020) 63: 12196-12212 [PMID:32667814] |
ChEMBL | Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells | B | 5.68 | pKi | 2070 | nM | Ki | Eur J Med Chem (2011) 46: 3590-3607 [PMID:21664729] |
ChEMBL | Binding affinity towards human Adenosine A1 receptor expressed in CHO cells using 1 nM [3H]DPCPX | B | 6 | pKi | >1000 | nM | Ki | J Med Chem (2005) 48: 6887-6896 [PMID:16250647] |
ChEMBL | Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 60 mins by scintillation counting analysis | B | 6.08 | pKi | 841 | nM | Ki | Bioorg Med Chem (2013) 21: 7435-7452 [PMID:24139167] |
ChEMBL | Antagonist activity at human adenosine A1 receptor assessed as cAMP level by cell based assay | F | 6.08 | pKi | 841 | nM | Ki | Bioorg Med Chem Lett (2013) 23: 3427-3433 [PMID:23602401] |
ChEMBL | Binding affinity to human adenosine A1 receptor by radioligand displacement assay | B | 6.08 | pKi | 841 | nM | Ki | Medchemcomm (2018) 9: 951-962 [PMID:30108984] |
ChEMBL | Displacement of [3H]CCPA from recombinant human adenosine A1 receptor expressed in CHO cells | B | 6.08 | pKi | 841 | nM | Ki | Bioorg Med Chem (2019) 27: 1195-1210 [PMID:30808606] |
ChEMBL | Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 90 mins by liquid scintillation counting analysis | B | 6.08 | pKi | 841 | nM | Ki | J Med Chem (2013) 56: 4580-4596 [PMID:23631427] |
GtoPdb | - | - | 6.08 | pKi | 841 | nM | Ki | Pharmacol Rev (2011) 63: 1-34 [PMID:21303899] |
A1 receptor/Adenosine A1 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL318] [GtoPdb: 18] [UniProtKB: P25099] | ||||||||
ChEMBL | Displacement of [3H]CHA from Adenosine A1 receptor of rat forebrain membranes | B | 6.24 | pKi | 580 | nM | Ki | Bioorg Med Chem Lett (1997) 7: 2349-2352 |
ChEMBL | Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane | B | 6.64 | pKi | 230 | nM | Ki | Bioorg Med Chem (2007) 15: 6956-6974 [PMID:17827019] |
ChEMBL | Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane | B | 6.64 | pKi | 230 | nM | Ki | Bioorg Med Chem (2007) 15: 5003-5017 [PMID:17499511] |
ChEMBL | Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane | B | 6.64 | pKi | 230 | nM | Ki | Eur J Med Chem (2011) 46: 3590-3607 [PMID:21664729] |
ChEMBL | Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membranes after 90 mins by liquid scintillation counting analysis | B | 6.64 | pKi | 230 | nM | Ki | J Med Chem (2013) 56: 4580-4596 [PMID:23631427] |
ChEMBL | Displacement of [3H]DPCPX from adenosine A1 receptor in rat brain after 60 mins by scintillation counting analysis | B | 6.64 | pKi | 230 | nM | Ki | Bioorg Med Chem (2013) 21: 7435-7452 [PMID:24139167] |
ChEMBL | Displacement of [3H]-DPCPX from Adenosine A1 receptor in Lister hooded rat brain membranes | B | 6.64 | pKi | 230 | nM | Ki | Bioorg Med Chem (2015) 23: 6641-6649 [PMID:26392370] |
ChEMBL | Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membranes | B | 6.64 | pKi | 230 | nM | Ki | Bioorg Med Chem (2019) 27: 1195-1210 [PMID:30808606] |
GtoPdb | - | - | 6.64 | pKi | 230 | nM | Ki | Pharmacol Rev (2011) 63: 1-34 [PMID:21303899] |
ChEMBL | Displacement of [3H]CHA from Adenosine A1 receptor of rat forebrain membranes (shielded from light) | B | 6.82 | pKi | 150 | nM | Ki | Bioorg Med Chem Lett (1997) 7: 2349-2352 |
A2A receptor/Adenosine A2a receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL251] [GtoPdb: 19] [UniProtKB: P29274] | ||||||||
ChEMBL | Displacement of [3H]ZM241385 from stabilized human adenosine receptor A2a expressed in HEK293 cells followed by receptor capturing on Biocore chips by SPR method | B | 5.9 | pKd | 1258.93 | nM | Kd | J Med Chem (2011) 54: 4312-4323 [PMID:21661720] |
ChEMBL | Displacement of [3H]ZM241385 from stabilized human adenosine receptor A2a expressed in HEK293 cells followed by receptor capturing on Biocore chips by SPR method | B | 6.7 | pKi | 199.53 | nM | Ki | J Med Chem (2011) 54: 4312-4323 [PMID:21661720] |
ChEMBL | Displacement of [3H]MSX2 from recombinant human adenosine A2a receptor expressed in HEK293 cells | B | 7.04 | pKi | 91.2 | nM | Ki | Bioorg Med Chem (2019) 27: 1195-1210 [PMID:30808606] |
ChEMBL | Displacement of [3H]MSX2 from human recombinant adenosine A2A receptor expressed in CHO cells after 30 mins by liquid scintillation counting analysis | B | 7.04 | pKi | 91.2 | nM | Ki | J Med Chem (2013) 56: 4580-4596 [PMID:23631427] |
ChEMBL | Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells | B | 7.04 | pKi | 90.8 | nM | Ki | Eur J Med Chem (2011) 46: 3590-3607 [PMID:21664729] |
ChEMBL | Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in high five cells after 30 mins by scintillation counting | B | 7.14 | pKi | 72 | nM | Ki | J Med Chem (2011) 54: 751-764 [PMID:21210664] |
ChEMBL | Antagonist activity at human adenosine A2A receptor | B | 7.14 | pKi | 72 | nM | Ki | Bioorg Med Chem Lett (2015) 25: 1212-1216 [PMID:25701253] |
ChEMBL | Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting | B | 7.14 | pKi | 72 | nM | Ki | Bioorg Med Chem Lett (2010) 20: 5241-5244 [PMID:20659802] |
ChEMBL | Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis | B | 7.32 | pKi | 47.4 | nM | Ki | J Med Chem (2013) 56: 1247-1261 [PMID:23281824] |
ChEMBL | Antagonist activity at human adenosine 2A receptor | B | 7.44 | pKi | 36 | nM | Ki | J Med Chem (2020) 63: 12196-12212 [PMID:32667814] |
ChEMBL | Displacement of [3H]CGS21680 from human adenosine A2A receptor | B | 7.44 | pKi | 36 | nM | Ki | Bioorg Med Chem Lett (2009) 19: 2664-2667 [PMID:19362836] |
ChEMBL | Displacement of [3H]MSX2 from human recombinant adenosine A2A receptor expressed in CHO cells | B | 7.44 | pKi | 36 | nM | Ki | J Med Chem (2013) 56: 4580-4596 [PMID:23631427] |
GtoPdb | - | - | 7.92 | pKi | 12 | nM | Ki |
J Med Chem (2007) 50: 828-34 [PMID:17300165]; Pharmacol Rev (2011) 63: 1-34 [PMID:21303899] |
ChEMBL | Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in CHO cells after 60 mins by scintillation counting analysis | B | 7.92 | pKi | 12 | nM | Ki | Bioorg Med Chem (2013) 21: 7435-7452 [PMID:24139167] |
ChEMBL | Inhibition of human recombinant adenosine receptor A2a | F | 7.92 | pKi | 12 | nM | Ki | J Med Chem (2014) 57: 3623-3650 [PMID:24164628] |
ChEMBL | Antagonist activity at human adenosine A2A receptor assessed as cAMP level by cell based assay | F | 7.92 | pKi | 12 | nM | Ki | Bioorg Med Chem Lett (2013) 23: 3427-3433 [PMID:23602401] |
ChEMBL | Antagonist activity at adenosine A2A receptor (unknown origin) | F | 7.92 | pKi | 12 | nM | Ki | Eur J Med Chem (2018) 144: 151-163 [PMID:29268131] |
ChEMBL | Binding affinity to human adenosine A2A receptor by radioligand displacement assay | B | 7.92 | pKi | 12 | nM | Ki | Medchemcomm (2018) 9: 951-962 [PMID:30108984] |
ChEMBL | Displacement of [3H]ZM-241385 from human recombinant adenosine A2A receptor expressed in HEK293 cells | B | 8.22 | pKi | 6 | nM | Ki | J Med Chem (2008) 51: 400-406 [PMID:18189346] |
ChEMBL | Binding affinity towards human Adenosine A2a receptor expressed in HEK293 cells using 6 nM [3H]CGS-21680 | B | 8.66 | pKi | 2.2 | nM | Ki | J Med Chem (2005) 48: 6887-6896 [PMID:16250647] |
ChEMBL | Antagonist activity at recombinant human adenosine A2A receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP production after 60 mins | F | 5.28 | pIC50 | 5250 | nM | IC50 | Bioorg Med Chem Lett (2013) 23: 3427-3433 [PMID:23602401] |
ChEMBL | Antagonist activity at recombinant human adenosine A2A receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP production after 60 mins | F | 5.28 | pIC50 | 5248.07 | nM | IC50 | Bioorg Med Chem Lett (2013) 23: 3427-3433 [PMID:23602401] |
A2A receptor/Adenosine A2a receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL302] [GtoPdb: 19] [UniProtKB: P30543] | ||||||||
ChEMBL | In vitro binding affinity against Adenosine A2a receptor in rat forebrain membranes by [3H]NECA (+CPA) displacement. | B | 7.89 | pKi | 13 | nM | Ki | Bioorg Med Chem Lett (1997) 7: 2349-2352 |
ChEMBL | Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane | B | 8.29 | pKi | 5.15 | nM | Ki | Eur J Med Chem (2011) 46: 3590-3607 [PMID:21664729] |
ChEMBL | Displacement of [3H]MSX2 from adenosine A2A receptor in rat striatal membrane | B | 8.29 | pKi | 5.15 | nM | Ki | Bioorg Med Chem (2007) 15: 5003-5017 [PMID:17499511] |
ChEMBL | Displacement of [3H]MSX2 from adenosine A2A receptor in rat brain striatal membrane | B | 8.3 | pKi | 5.01 | nM | Ki | Bioorg Med Chem (2007) 15: 6956-6974 [PMID:17827019] |
ChEMBL | Displacement of [3H]NECA from Sprague-Dawley rat adenosine A2A receptor by scintillation counting | B | 8.35 | pKi | 4.46 | nM | Ki | Bioorg Med Chem (2008) 16: 8676-8684 [PMID:18723354] |
ChEMBL | Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain after 60 mins by scintillation counting analysis | B | 8.35 | pKi | 4.46 | nM | Ki | Bioorg Med Chem (2013) 21: 7435-7452 [PMID:24139167] |
ChEMBL | Displacement of [3H]CCPA from rat adenosine A2a receptor | B | 8.36 | pKi | 4.4 | nM | Ki | Bioorg Med Chem (2019) 27: 1195-1210 [PMID:30808606] |
ChEMBL | Displacement of [3H]-CGS- 21680 from Adenosine A2a receptor of rat forebrain membranes (shielded from light) | B | 8.66 | pKi | 2.2 | nM | Ki | Bioorg Med Chem Lett (1997) 7: 2349-2352 |
ChEMBL | Displacement of [3H]MSX2 from adenosine A2A receptor in rat brain striatal membranes | B | 8.66 | pKi | 2.2 | nM | Ki | J Med Chem (2013) 56: 4580-4596 [PMID:23631427] |
ChEMBL | Displacement of [3H]-ZM241385 from Adenosine A2A receptor in Lister hooded rat brain membranes | B | 8.66 | pKi | 2.2 | nM | Ki | Bioorg Med Chem (2015) 23: 6641-6649 [PMID:26392370] |
GtoPdb | - | - | 8.66 | pKi | 2.2 | nM | Ki |
Bioorg Med Chem Lett (1997) : 2349-2352; Bioorg Med Chem (2008) 16: 8676-84 [PMID:18723354] |
ChEMBL | Displacement of [3H]ZM241385 from rat recombinant adenosine A2A receptor expressed in CHO cells | B | 8.7 | pKi | 2 | nM | Ki | J Med Chem (2008) 51: 400-406 [PMID:18189346] |
ChEMBL | Antagonist activity at adenosine A2A receptor in 5-HT-treated Wistar rat femoral vein assessed as inhibition of 2-octyn-1-yladenosine-induced vasodilation incubated for 10 mins prior to addition of 5-HT | B | 6.64 | pIC50 | 228 | nM | IC50 | Bioorg Med Chem (2014) 22: 3072-3082 [PMID:24815000] |
A2B receptor/Adenosine A2b receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL255] [GtoPdb: 20] [UniProtKB: P29275] | ||||||||
GtoPdb | - | - | 5 | pKi | >10000 | nM | Ki | Pharmacol Rev (2011) 63: 1-34 [PMID:21303899] |
ChEMBL | Displacement of [3H]PSB603 from recombinant human adenosine A2b receptor expressed in HEK293 cells | B | 5 | pKi | >10000 | nM | Ki | Bioorg Med Chem (2019) 27: 1195-1210 [PMID:30808606] |
ChEMBL | Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells after 75 mins by liquid scintillation counting analysis | B | 5 | pKi | >10000 | nM | Ki | J Med Chem (2013) 56: 4580-4596 [PMID:23631427] |
ChEMBL | Binding affinity to human adenosine A2B receptor | B | 5 | pKi | >10000 | nM | Ki | Bioorg Med Chem (2013) 21: 7435-7452 [PMID:24139167] |
ChEMBL | Displacement of [3H]PSB-298 from human recombinant adenosine A2B receptor expressed in CHO cells | B | 5 | pKi | >=10000 | nM | Ki | Eur J Med Chem (2011) 46: 3590-3607 [PMID:21664729] |
ChEMBL | Binding affinity to human adenosine A2B receptor by radioligand displacement assay | B | 5 | pKi | >10000 | nM | Ki | Medchemcomm (2018) 9: 951-962 [PMID:30108984] |
ChEMBL | Inhibition of human recombinant adenosine receptor A2b | B | 5.74 | pKi | 1800 | nM | Ki | J Med Chem (2014) 57: 3623-3650 [PMID:24164628] |
ChEMBL | Inhibition of human adenosine 2B receptor | B | 5.74 | pKi | 1800 | nM | Ki | J Med Chem (2020) 63: 12196-12212 [PMID:32667814] |
A3 receptor/Adenosine A3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL256] [GtoPdb: 21] [UniProtKB: P0DMS8] | ||||||||
ChEMBL | Binding affinity to human adenosine A3 receptor by radioligand displacement assay | B | 5.35 | pKi | 4470 | nM | Ki | Medchemcomm (2018) 9: 951-962 [PMID:30108984] |
ChEMBL | Displacement of [3H]PSB11 from recombinant human adenosine A3 receptor expressed in CHO cells | B | 5.35 | pKi | 4470 | nM | Ki | Bioorg Med Chem (2019) 27: 1195-1210 [PMID:30808606] |
ChEMBL | Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells | B | 5.35 | pKi | 4470 | nM | Ki | Eur J Med Chem (2011) 46: 3590-3607 [PMID:21664729] |
ChEMBL | Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells after 60 mins by scintillation counting analysis | B | 5.35 | pKi | 4470 | nM | Ki | Bioorg Med Chem (2013) 21: 7435-7452 [PMID:24139167] |
ChEMBL | Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by liquid scintillation counting analysis | B | 5.35 | pKi | 4470 | nM | Ki | J Med Chem (2013) 56: 4580-4596 [PMID:23631427] |
GtoPdb | - | - | 5.35 | pKi | 4470 | nM | Ki | Pharmacol Rev (2011) 63: 1-34 [PMID:21303899] |
ChEMBL | Inhibition of human adenosine A3 receptor | B | 5.52 | pKi | >3000 | nM | Ki | J Med Chem (2020) 63: 12196-12212 [PMID:32667814] |
ChEMBL | Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells | B | 5.52 | pKi | >3000 | nM | Ki | J Med Chem (2013) 56: 4580-4596 [PMID:23631427] |
ChEMBL | Inhibition of human recombinant adenosine A3 receptor | B | 5.52 | pKi | >3000 | nM | Ki | J Med Chem (2014) 57: 3623-3650 [PMID:24164628] |
Monoamine oxidase B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2039] [GtoPdb: 2490] [UniProtKB: P27338] | ||||||||
ChEMBL | Inhibition of human MAOB | B | 7.57 | pKi | 27 | nM | Ki | Medchemcomm (2019) 10: 10-25 [PMID:30774851] |
ChEMBL | Inhibition of human MAOB after 1 hr by luminescence assay | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2013) 56: 1247-1261 [PMID:23281824] |
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]