Reaction Details Report a problem with these data
Target
Adenosine receptor A2a
Ligand
BDBM81818
Substrate
n/a
Meas. Tech.
ChEMBL_1584152 (CHEMBL3821344)
IC50
5100±n/a nM
Citation
 Massink, A; Louvel, J; Adlere, I; van Veen, C; Huisman, BJ; Dijksteel, GS; Guo, D; Lenselink, EB; Buckley, BJ; Matthews, H; Ranson, M; Kelso, M; IJzerman, AP 5'-Substituted Amiloride Derivatives as Allosteric Modulators Binding in the Sodium Ion Pocket of the Adenosine A2A Receptor. J Med Chem 59:4769-77 (2016) [PubMed]  Article 
Target
Name:
Adenosine receptor A2a
Synonyms:
A2A adenosine receptor (hA2A) | AA2AR_HUMAN | ADENOSINE A2 | ADENOSINE A2a | ADORA2 | ADORA2A | Adenosine A2A receptor (A2AAR)
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
44716.46
Organism:
Homo sapiens (Human)
Description:
P29274
Residue:
412
Sequence:
MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS
  
Inhibitor
Name:
BDBM81818
Synonyms:
CAS_1794 | CHEMBL1909810 | HMA | NSC_1794
Type:
Small organic molecule
Emp. Form.:
C12H18ClN7O
Mol. Mass.:
311.771
SMILES:
NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
Structure:
Search PDB for entries with ligand similarity: