Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50020986
Substrate
n/a
Meas. Tech.
ChEMBL_28521 (CHEMBL642860)
IC50
6.5±n/a nM
Citation
Hamilton, HW; Ortwine, DF; Worth, DF; Badger, EW; Bristol, JA; Bruns, RF; Haleen, SJ; Steffen, RP Synthesis of xanthines as adenosine antagonists, a practical quantitative structure-activity relationship application. J Med Chem 28:1071-9 (1985) [PubMed] Article
More Info.:
Target
Name:
Adenosine receptor A1
Synonyms:
AA1R_RAT | ADENOSINE A1 | ADENOSINE A1 high | ADENOSINE A1 low | Adenosine A1 receptor (A1) | Adenosine receptor | Adenosine receptors A1 | Adora1
Type:
Protein
Mol. Mass.:
36704.13
Organism:
Rattus norvegicus (rat)
Description:
n/a
Residue:
326
Sequence:
MPPYISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTQRRAAVAIAGCWILSLVVGLTPMFGWNNLSVVEQDWRANGSVGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPTCQKPSILIYIAIFLTHGNSAMNPIVYAFRIHKFRVTFLKIWNDHFRCQPKPPIDEDLPEEKAED
Inhibitor
Name:
BDBM50020986
Synonyms:
CHEMBL11002 | N-(2-Dimethylamino-ethyl)-4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-benzenesulfonamide
Type:
Small organic molecule
Emp. Form.:
C21H30N6O4S
Mol. Mass.:
462.566
SMILES:
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(=O)(=O)NCCN(C)C