Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50271539
Substrate
n/a
Meas. Tech.
ChEMBL_556460 (CHEMBL955677)
Ki
100.6±n/a nM
Citation
 Colotta, V; Catarzi, D; Varano, F; Lenzi, O; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Traini, C; Pugliese, AM; Pedata, F; Morizzo, E; Moro, S Synthesis, ligand-receptor modeling studies and pharmacological evaluation of novel 4-modified-2-aryl-1,2,4-triazolo[4,3-a]quinoxalin-1-one derivatives as potent and selective human A3 adenosine receptor antagonists. Bioorg Med Chem 16:6086-102 (2008) [PubMed]  Article 
Target
Name:
Adenosine receptor A1
Synonyms:
AA1R_BOVIN | ADENOSINE A1 | ADENOSINE A1 high | ADENOSINE A1 low | ADORA1 | Adenosine A1 receptor
Type:
Enzyme Catalytic Domain
Mol. Mass.:
36602.99
Organism:
BOVINE
Description:
ADENOSINE 0 BOVINE::P28190
Residue:
326
Sequence:
MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPRTYFHTCLKVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTPRRAVVAITGCWILSFVVGLTPMFGWNNLSAVERDWLANGSVGEPVIECQFEKVISMEYMVYFNFFVWVLPPLLLMVLIYMEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHMPRILIYIAIFLSHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPVDEDAPAERPDD
  
Inhibitor
Name:
BDBM50271539
Synonyms:
4-Benzoylureido-1,2-dihydro-2-phenyl-1,2,4-triazolo[4,3-a]quinoxalin-1-one | CHEMBL484314
Type:
Small organic molecule
Emp. Form.:
C23H16N6O3
Mol. Mass.:
424.4115
SMILES:
O=C(NC(=O)c1ccccc1)Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O
Structure:
Search PDB for entries with ligand similarity: