Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50594312
Substrate
n/a
Meas. Tech.
ChEMBL_2211902 (CHEMBL5124851)
EC50
1950±n/a nM
Citation
 Awalt, JK; Nguyen, ATN; Fyfe, TJ; Thai, BS; White, PJ; Christopoulos, A; Jörg, M; May, LT; Scammells, PJ Examining the Role of the Linker in Bitopic  J Med Chem 65:9076-9095 (2022) [PubMed] 
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:
BDBM50594312
Synonyms:
CHEMBL5203917
Type:
Small organic molecule
Emp. Form.:
C44H38F3N7O6S
Mol. Mass.:
849.876
SMILES:
Nc1sc(c(c1C(=O)c1ccccc1)-c1cccc(c1)C(F)(F)F)-c1ccc(cc1)C(=O)NCCCc1ccc(Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r|
Structure:
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