Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50104333
Substrate
n/a
Meas. Tech.
ChEMBL_29126 (CHEMBL642430)
Ki
4800±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:
BDBM50104333
Synonyms:
4-tert-Butylamino-1-(2-chloro-2-phenyl-ethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester | CHEMBL81885
Type:
Small organic molecule
Emp. Form.:
C21H25ClN4O2
Mol. Mass.:
400.902
SMILES:
CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NC(C)(C)C
Structure:
Search PDB for entries with ligand similarity: