Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50163452
Substrate
n/a
Meas. Tech.
ChEMBL_821156 (CHEMBL2039698)
Ki
39.81±n/a nM
Citation
 Stumpfe, D; Bajorath, J Exploring activity cliffs in medicinal chemistry. J Med Chem 55:2932-42 (2012) [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:
BDBM50163452
Synonyms:
2-Amino-4-(3-fluoro-phenyl)-6-(2-hydroxy-ethylsulfanyl)-pyridine-3,5-dicarbonitrile | CHEMBL179198
Type:
Small organic molecule
Emp. Form.:
C15H11FN4OS
Mol. Mass.:
314.337
SMILES:
Nc1nc(SCCO)c(C#N)c(-c2cccc(F)c2)c1C#N
Structure:
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