Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50120444
Substrate
n/a
Meas. Tech.
ChEMBL_29113 (CHEMBL638725)
Ki
101±n/a nM
Citation
 Bondavalli, F; Botta, M; Bruno, O; Ciacci, A; Corelli, F; Fossa, P; Lucacchini, A; Manetti, F; Martini, C; Menozzi, G; Mosti, L; Ranise, A; Schenone, S; Tafi, A; Trincavellic, ML Synthesis, molecular modeling studies, and pharmacological activity of selective A(1) receptor antagonists. J Med Chem 45:4875-87 (2002) [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:
BDBM50120444
Synonyms:
2-(4-Methoxy-phenyl)-5,6-dimethyl-7-(1-phenyl-ethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine | CHEMBL144398
Type:
Small organic molecule
Emp. Form.:
C23H24N4O
Mol. Mass.:
372.4629
SMILES:
COc1ccc(cc1)-c1nc(N)c2c(C)c(C)n(C(C)c3ccccc3)c2n1
Structure:
Search PDB for entries with ligand similarity: