Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50376940
Substrate
n/a
Meas. Tech.
ChEMBL_478891 (CHEMBL933587)
Ki
1280±n/a nM
Citation
 Elzein, E; Kalla, RV; Li, X; Perry, T; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J Discovery of a novel A2B adenosine receptor antagonist as a clinical candidate for chronic inflammatory airway diseases. J Med Chem 51:2267-78 (2008) [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:
BDBM50376940
Synonyms:
CHEMBL427736
Type:
Small organic molecule
Emp. Form.:
C20H18F3N7O2
Mol. Mass.:
445.3978
SMILES:
CCn1c2nc([nH]c2c(=O)n(CC2CC2)c1=O)-c1cnn(c1)-c1ccc(nc1)C(F)(F)F
Structure:
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