Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50331924
Substrate
n/a
Meas. Tech.
ChEMBL_687326 (CHEMBL1292002)
Ki
>10000±n/a nM
Citation
 McGuinness, BF; Ho, KK; Stauffer, TM; Rokosz, LL; Mannava, N; Kultgen, SG; Saionz, K; Klon, A; Chen, W; Desai, H; Rogers, WL; Webb, M; Yin, J; Jiang, Y; Li, T; Yan, H; Jing, K; Zhang, S; Majumdar, KK; Srivastava, V; Saha, S Discovery of novel quinolinone adenosine A2B antagonists. Bioorg Med Chem Lett 20:7414-20 (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:
BDBM50331924
Synonyms:
CHEMBL1290664 | N-(3,4-dichlorobenzyl)-2-(1-methyl-3-(methylsulfonyl)-2-oxo-4-phenethyl-1,2-dihydroquinolin-6-yloxy)acetamide
Type:
Small organic molecule
Emp. Form.:
C28H26Cl2N2O5S
Mol. Mass.:
573.487
SMILES:
Cn1c2ccc(OCC(=O)NCc3ccc(Cl)c(Cl)c3)cc2c(CCc2ccccc2)c(c1=O)S(C)(=O)=O
Structure:
Search PDB for entries with ligand similarity: