Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50159969
Substrate
n/a
Meas. Tech.
ChEMBL_303694 (CHEMBL829739)
Ki
288±n/a nM
Citation
Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D The discovery of a selective, high affinity A(2B) adenosine receptor antagonist for the potential treatment of asthma. Bioorg Med Chem Lett 15:609-12 (2005) [PubMed] Article
More Info.:
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:
BDBM50159969
Synonyms:
4-{3-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxymethyl]-[1,2,4]oxadiazol-5-yl}-benzonitrile | CHEMBL181925
Type:
Small organic molecule
Emp. Form.:
C27H25N7O4
Mol. Mass.:
511.5319
SMILES:
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccc(cc2)C#N)cc1