Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50394721
Substrate
n/a
Meas. Tech.
ChEMBL_858813 (CHEMBL2167688)
Ki
5.2±n/a nM
Citation
 Shook, BC; Rassnick, S; Wallace, N; Crooke, J; Ault, M; Chakravarty, D; Barbay, JK; Wang, A; Powell, MT; Leonard, K; Alford, V; Scannevin, RH; Carroll, K; Lampron, L; Westover, L; Lim, HK; Russell, R; Branum, S; Wells, KM; Damon, S; Youells, S; Li, X; Beauchamp, DA; Rhodes, K; Jackson, PF Design and characterization of optimized adenosine A2A/A1 receptor antagonists for the treatment of Parkinson's disease. J Med Chem 55:1402-17 (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:
BDBM50394721
Synonyms:
CHEMBL2165808
Type:
Small organic molecule
Emp. Form.:
C24H15N5O
Mol. Mass.:
389.4088
SMILES:
Nc1nc2-c3cc(Cc4cncc(c4)C#N)ccc3C(=O)c2c(n1)-c1ccccc1
Structure:
Search PDB for entries with ligand similarity: