Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50210811
Substrate
n/a
Meas. Tech.
ChEMBL_1635286 (CHEMBL3878184)
EC50
278±n/a nM
Citation
 Alachouzos, G; Lenselink, EB; Mulder-Krieger, T; de Vries, H; IJzerman, AP; Louvel, J Synthesis and evaluation of N-substituted 2-amino-4,5-diarylpyrimidines as selective adenosine A Eur J Med Chem 125:586-602 (2017) [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:
BDBM50210811
Synonyms:
CHEMBL3968282
Type:
Small organic molecule
Emp. Form.:
C22H22ClN3O
Mol. Mass.:
379.883
SMILES:
O[C@H]1CC[C@@H](CC1)Nc1ncc(-c2cccc(Cl)c2)c(n1)-c1ccccc1 |r,wU:4.7,wD:1.0,(45,-31.97,;43.68,-32.75,;42.34,-31.99,;41.01,-32.77,;41.02,-34.31,;42.36,-35.07,;43.69,-34.29,;39.69,-35.09,;39.7,-36.63,;41.05,-37.39,;41.05,-38.93,;39.72,-39.71,;39.73,-41.25,;41.07,-42.01,;41.08,-43.55,;39.76,-44.33,;38.41,-43.57,;37.08,-44.35,;38.4,-42.03,;38.38,-38.95,;38.37,-37.41,;37.05,-39.73,;35.71,-38.97,;34.39,-39.75,;34.4,-41.29,;35.74,-42.05,;37.07,-41.27,)|
Structure:
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