Reaction Details Report a problem with these data
Target
Adenosine receptor A2a
Ligand
BDBM50199696
Substrate
n/a
Meas. Tech.
ChEMBL_1621694 (CHEMBL3863977)
IC50
22±n/a nM
Citation
 Grŕcia, J; Buil, MA; Castro, J; Eichhorn, P; Ferrer, M; Gavaldŕ, A; Hernández, B; Segarra, V; Lehner, MD; Moreno, I; Pagčs, L; Roberts, RS; Serrat, J; Sevilla, S; Taltavull, J; Andrés, M; Cabedo, J; Vilella, D; Calama, E; Carcasona, C; Miralpeix, M Biphenyl Pyridazinone Derivatives as Inhaled PDE4 Inhibitors: Structural Biology and Structure-Activity Relationships. J Med Chem 59:10479-10497 (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:
BDBM50199696
Synonyms:
CHEMBL3941513
Type:
Small organic molecule
Emp. Form.:
C32H33Cl2N7O3
Mol. Mass.:
634.556
SMILES:
CCn1nc(cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O)-c1cccc(c1)-c1cccc(c1)C(=O)NCCN1CCCCC1
Structure:
Search PDB for entries with ligand similarity: