Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50316895
Substrate
n/a
Meas. Tech.
ChEMBL_629846 (CHEMBL1116483)
Ki
46.7±n/a nM
Citation
 Shook, BC; Rassnick, S; Chakravarty, D; Wallace, N; Ault, M; Crooke, J; Barbay, JK; Wang, A; Leonard, K; Powell, MT; Alford, V; Hall, D; Rupert, KC; Heintzelman, GR; Hansen, K; Bullington, JL; Scannevin, RH; Carroll, K; Lampron, L; Westover, L; Russell, R; Branum, S; Wells, K; Damon, S; Youells, S; Beauchamp, D; Li, X; Rhodes, K; Jackson, PF Optimization of arylindenopyrimidines as potent adenosine A(2A)/A(1) antagonists. Bioorg Med Chem Lett 20:2868-71 (2010) [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:
BDBM50316895
Synonyms:
2-Amino-8-[2-(1,1-dioxo-1lambda*6*-thiomorpholin-4-yl)-ethylamino]-4-phenyl-indeno[1,2-d]pyrimidin-5-one | CHEMBL1095811
Type:
Small organic molecule
Emp. Form.:
C23H23N5O3S
Mol. Mass.:
449.525
SMILES:
Nc1nc2-c3cc(NCCN4CCS(=O)(=O)CC4)ccc3C(=O)c2c(n1)-c1ccccc1
Structure:
Search PDB for entries with ligand similarity: