Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50573590
Substrate
n/a
Meas. Tech.
ChEMBL_2119776 (CHEMBL4828923)
Ki
13300±n/a nM
Citation
 Bednarska-Szczepaniak, K; Mieczkowski, A; Kierozalska, A; Pavlovi? Safti?, D; G??ba?a, K; Przygodzki, T; Sta?czyk, L; Karolczak, K; Wata?a, C; Rao, H; Gao, ZG; Jacobson, KA; Le?nikowski, ZJ Synthesis and evaluation of adenosine derivatives as A Eur J Med Chem 223:0 (2021) [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:
BDBM50573590
Synonyms:
CHEMBL4873585
Type:
Small organic molecule
Emp. Form.:
C20H24ClN5O3
Mol. Mass.:
417.889
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NCCCCc3ccccc3)nc(Cl)nc12 |r|
Structure:
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