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Target
Adenosine receptor A1
Ligand
BDBM50149595
Substrate
n/a
Meas. Tech.
ChEMBL_1558359 (CHEMBL3772951)
IC50
2.9±n/a nM
Citation
 Knight, A; Hemmings, JL; Winfield, I; Leuenberger, M; Frattini, E; Frenguelli, BG; Dowell, SJ; Lochner, M; Ladds, G Discovery of Novel Adenosine Receptor Agonists That Exhibit Subtype Selectivity. J Med Chem 59:947-64 (2016) [PubMed]  Article 
Target
Name:
Adenosine receptor A1
Synonyms:
A1 adenosine receptor (hA1) | A1AR | AA1R_HUMAN | ADENOSINE A1 | ADORA1 | Adenosine A1 receptor (A1AR) | Adenosine A1-receptor | Adenosine receptor A1 (A1) | Adenosine receptor A1 (hA1) | Adenosine transporter (AdT)
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
36520.92
Organism:
Homo sapiens (Human)
Description:
P30542
Residue:
326
Sequence:
MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD
  
Inhibitor
Name:
BDBM50149595
Synonyms:
CHEMBL3770664
Type:
Small organic molecule
Emp. Form.:
C22H30N6O4
Mol. Mass.:
442.5114
SMILES:
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC34CC5CC(CC(C5)C3)C4)ncnc12 |r,TLB:25:20:27:24.26.23,25:24:27:21.20.19,THB:19:18:21.20.25:23,19:20:18.27.26:23,17:18:21.20.25:23|
Structure:
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