| Reaction Details |
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 | Report a problem with these data |
| Target | Adenosine receptor A1/A2a/A2b/A3 |
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| Ligand | BDBM50226936 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_31138 (CHEMBL644805) |
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| Ki | 4.3±n/a nM |
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| Citation |  Jacobson, KA; Lipkowski, AW; Moody, TW; Padgett, W; Pijl, E; Kirk, KL; Daly, JW Binary drugs: conjugates of purines and a peptide that bind to both adenosine and substance P receptors. J Med Chem30:1529-32 (1987) [PubMed] |
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| More Info.: | Get all data from this article, Assay Method |
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| Adenosine receptor A1/A2a/A2b/A3 |
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| Name: | Adenosine receptor A1/A2a/A2b/A3 |
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| Synonyms: | Adenosine receptor |
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| Type: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | ASSAY_ID of ChEMBL is 194205 |
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| Components: | This complex has 4 components. |
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| Component 1 |
| Name: | Adenosine receptor A2a |
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| Synonyms: | AA2AR_RAT | ADENOSINE A2a | Adenosine A2 receptor | Adenosine A2a receptor (A2a) | Adenosine Receptors A2a (A2a) | Adenosine receptor A2a and A3 | Adenosine receptors A2a | Adora2a | Rat striatal adenosine A2a receptor |
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| Type: | G Protein-Coupled Receptor (GPCR) |
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| Mol. Mass.: | 45015.65 |
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| Organism: | Rattus norvegicus (rat) |
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| Description: | Rat A2A receptors expressed in CHO cells. |
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| Residue: | 410 |
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| Sequence: | MGSSVYITVELAIAVLAILGNVLVCWAVWINSNLQNVTNFFVVSLAAADIAVGVLAIPFA
ITISTGFCAACHGCLFFACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGVRAKG
IIAICWVLSFAIGLTPMLGWNNCSQKDGNSTKTCGEGRVTCLFEDVVPMNYMVYYNFFAF
VLLPLLLMLAIYLRIFLAARRQLKQMESQPLPGERTRSTLQKEVHAAKSLAIIVGLFALC
WLPLHIINCFTFFCSTCRHAPPWLMYLAIILSHSNSVVNPFIYAYRIREFRQTFRKIIRT
HVLRRQEPFQAGGSSAWALAAHSTEGEQVSLRLNGHPLGVWANGSATHSGRRPNGYTLGL
GGGGSAQGSPRDVELPTQERQEGQEHPGLRGHLVQARVGASSWSSEFAPS
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| Component 2 |
| Name: | Adenosine receptor A3 |
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| Synonyms: | AA3R_RAT | Adenosine A3 receptor | Adenosine receptor A2a and A3 | Adora3 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 36643.73 |
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| Organism: | Rattus norvegicus |
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| Description: | ChEMBL_479910 |
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| Residue: | 320 |
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| Sequence: | MKANNTTTSALWLQITYITMEAAIGLCAVVGNMLVIWVVKLNRTLRTTTFYFIVSLALAD
IAVGVLVIPLAIAVSLEVQMHFYACLFMSCVLLVFTHASIMSLLAIAVDRYLRVKLTVRY
RTVTTQRRIWLFLGLCWLVSFLVGLTPMFGWNRKVTLELSQNSSTLSCHFRSVVGLDYMV
FFSFITWILIPLVVMCIIYLDIFYIIRNKLSQNLTGFRETRAFYGREFKTAKSLFLVLFL
FALCWLPLSIINFVSYFNVKIPEIAMCLGILLSHANSMMNPIVYACKIKKFKETYFVILR
ACRLCQTSDSLDSNLEQTTE
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| Component 3 |
| Name: | Adenosine receptor A1 |
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| Synonyms: | AA1R_RAT | ADENOSINE A1 | ADENOSINE A1 high | ADENOSINE A1 low | Adenosine A1 receptor (A1) | Adenosine receptor | Adenosine receptors A1 | Adora1 |
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| Type: | Protein |
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| Mol. Mass.: | 36704.13 |
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| Organism: | Rattus norvegicus (rat) |
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| Description: | n/a |
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| Residue: | 326 |
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| Sequence: | MPPYISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGA
LVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVT
QRRAAVAIAGCWILSLVVGLTPMFGWNNLSVVEQDWRANGSVGEPVIKCEFEKVISMEYM
VYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALIL
FLFALSWLPLHILNCITLFCPTCQKPSILIYIAIFLTHGNSAMNPIVYAFRIHKFRVTFL
KIWNDHFRCQPKPPIDEDLPEEKAED
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| Component 4 |
| Name: | Adenosine receptor A2b |
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| Synonyms: | AA2BR_RAT | Adenosine receptor | Adora2b |
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| Type: | PROTEIN |
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| Mol. Mass.: | 36378.84 |
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| Organism: | Rattus norvegicus |
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| Description: | ChEMBL_32934 |
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| Residue: | 332 |
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| Sequence: | MQLETQDALYVALELVIAALAVAGNVLVCAAVGASSALQTPTNYFLVSLATADVAVGLFA
IPFAITISLGFCTDFHSCLFLACFVLVLTQSSIFSLLAVAVDRYLAIRVPLRYKGLVTGT
RARGIIAVLWVLAFGIGLTPFLGWNSKDRATSNCTEPGDGITNKSCCPVKCLFENVVPMS
YMVYFNFFGCVLPPLLIMMVIYIKIFMVACKQLQHMELMEHSRTTLQREIHAAKSLAMIV
GIFALCWLPVHAINCITLFHPALAKDKPKWVMNVAILLSHANSVVNPIVYAYRNRDFRYS
FHRIISRYVLCQTDTKGGSGQAGGQSTFSLSL
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| BDBM50226936 |
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| n/a |
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| Name | BDBM50226936 |
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| Synonyms: | CHEMBL37351 |
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| Type | Small organic molecule |
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| Emp. Form. | C25H36N8O6 |
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| Mol. Mass. | 544.6033 |
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| SMILES | CCCN1C2N=C(NC2C(=O)N(CCC)C1=O)c1ccc(OCC(=O)NCCNC(=O)C(N)CC(N)=O)cc1 |c:5| |
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| Structure | 
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