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Target
Adenosine receptor A1
Ligand
BDBM50104331
Substrate
n/a
Meas. Tech.
ChEMBL_29126 (CHEMBL642430)
Ki
470±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:
BDBM50104331
Synonyms:
1-(2-Chloro-2-phenyl-ethyl)-4-morpholin-4-yl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester | CHEMBL86275 | ethyl 1-(2-chloro-2-phenylethyl)-4-morpholino-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
Type:
Small organic molecule
Emp. Form.:
C21H23ClN4O3
Mol. Mass.:
414.885
SMILES:
CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1N1CCOCC1
Structure:
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