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Target
Adenosine receptor A1
Ligand
BDBM50149597
Substrate
n/a
Meas. Tech.
ChEMBL_1558359 (CHEMBL3772951)
IC50
0.398107±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:
BDBM50149597
Synonyms:
CHEMBL3771184
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(NC3C4CC5CC(C4)CC3C5)ncnc12 |r,wU:7.12,5.4,wD:8.8,10.11,TLB:24:23:19.20.18:27,17:18:22.23.25:27,THB:18:19:22:25.26.27,18:26:22:19.20.24,24:19:22.23.25:27,(15.69,-2.49,;14.45,-2.59,;13.56,-1.31,;12.01,-1.44,;11.48,-2.57,;11.12,-.17,;9.56,-.13,;9.14,1.36,;10.39,2.25,;10.41,3.49,;11.63,1.31,;12.82,1.66,;7.63,1.76,;7.09,3.19,;5.53,3.12,;5.13,1.62,;3.73,.92,;2.42,1.78,;1.02,1.07,;1.12,-.36,;-.4,-.89,;-1.87,-.71,;-2.28,-2.13,;-1.05,-1.34,;.37,-1.61,;-1.05,.45,;-.29,1.71,;-2.05,.73,;3.65,-.65,;4.96,-1.49,;6.37,-.78,;6.43,.78,)|
Structure:
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