Reaction Details |
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Target | Adenosine receptor A2a/A2b |
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Ligand | BDBM50182020 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_346855 (CHEMBL861213) |
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Ki | >10000±n/a nM |
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Citation | Prabhakaran, J; Parsey, RV; Majo, VJ; Hsiung, SC; Milak, MS; Tamir, H; Simpson, NR; Van Heertum, RL; Mann, JJ; Dileep Kumar, JS Synthesis, in vitro and in vivo evaluation of [O-methyl-11C] 2-{4-[4-(3-methoxyphenyl)piperazin-1-yl]-butyl}-4-methyl-2H-[1,2,4]-triazine-3,5-dione: a novel agonist 5-HT1A receptor PET ligand. Bioorg Med Chem Lett16:2101-4 (2006) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Adenosine receptor A2a/A2b |
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Name: | Adenosine receptor A2a/A2b |
Synonyms: | Adenosine A2 receptor |
Type: | n/a |
Mol. Mass.: | n/a |
Description: | ASSAY_ID of ChEMBL is 329906 |
Components: | This complex has 2 components. |
Component 1 |
Name: | Adenosine receptor A2b |
Synonyms: | AA2BR_HUMAN | ADENOSINE A2B | ADORA2B | Adenosine receptor A2B (A2B) | Adenosine receptors A2b | Adenosine receptors; A2a & A2b |
Type: | G Protein-Coupled Receptor (GPCR) |
Mol. Mass.: | 36341.22 |
Organism: | Homo sapiens (Human) |
Description: | n/a |
Residue: | 332 |
Sequence: | MLLETQDALYVALELVIAALSVAGNVLVCAAVGTANTLQTPTNYFLVSLAAADVAVGLFA
IPFAITISLGFCTDFYGCLFLACFVLVLTQSSIFSLLAVAVDRYLAICVPLRYKSLVTGT
RARGVIAVLWVLAFGIGLTPFLGWNSKDSATNNCTEPWDGTTNESCCLVKCLFENVVPMS
YMVYFNFFGCVLPPLLIMLVIYIKIFLVACRQLQRTELMDHSRTTLQREIHAAKSLAMIV
GIFALCWLPVHAVNCVTLFQPAQGKNKPKWAMNMAILLSHANSVVNPIVYAYRNRDFRYT
FHKIISRYLLCQADVKSGNGQAGVQPALGVGL
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Component 2 |
Name: | Adenosine receptor A2a |
Synonyms: | A2A adenosine receptor (hA2A) | AA2AR_HUMAN | ADENOSINE A2 | ADENOSINE A2a | ADORA2 | ADORA2A | Adenosine A2A receptor (A2AAR) |
Type: | G Protein-Coupled Receptor (GPCR) |
Mol. Mass.: | 44716.46 |
Organism: | Homo sapiens (Human) |
Description: | P29274 |
Residue: | 412 |
Sequence: | MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAI
PFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTR
AKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYF
NFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVG
LFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFR
KIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNG
YALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS
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BDBM50182020 |
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n/a |
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Name | BDBM50182020 |
Synonyms: | 2-(4-(4-(3-methoxyphenyl)piperazin-1-yl)butyl)-4-methyl-1,2,4-triazine-3,5(2H,4H)-dione | CHEMBL426317 |
Type | Small organic molecule |
Emp. Form. | C19H27N5O3 |
Mol. Mass. | 373.4494 |
SMILES | COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 |
Structure |
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