Reaction Details  Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50527832
Substrate
n/a
Meas. Tech.
ChEMBL_1903801 (CHEMBL4406023)
Ki
208±n/a nM
Citation
 Tosh, DK; Salmaso, V; Rao, H; Bitant, A; Fisher, CL; Lieberman, DI; Vorbrüggen, H; Reitman, ML; Gavrilova, O; Gao, ZG; Auchampach, JA; Jacobson, KA Truncated (N)-Methanocarba Nucleosides as Partial Agonists at Mouse and Human A J Med Chem 63:4334-4348 (2020) [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:
BDBM50527832
Synonyms:
CHEMBL4453175
Type:
Small organic molecule
Emp. Form.:
C29H29N5O4
Mol. Mass.:
511.5717
SMILES:
[H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(OC)c(OC)c3)nc(nc12)C#Cc1ccccc1 |r|
Structure:
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