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Target
Adenosine receptor A1
Ligand
BDBM50176852
Substrate
n/a
Meas. Tech.
ChEMBL_430784 (CHEMBL920040)
Ki
63±n/a nM
Citation
 Manetti, F; Schenone, S; Bondavalli, F; Brullo, C; Bruno, O; Ranise, A; Mosti, L; Menozzi, G; Fossa, P; Trincavelli, ML; Martini, C; Martinelli, A; Tintori, C; Botta, M Synthesis and 3D QSAR of new pyrazolo[3,4-b]pyridines: potent and selective inhibitors of A1 adenosine receptors. J Med Chem 48:7172-85 (2005) [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:
BDBM50176852
Synonyms:
1-(2-chloro-2-phenyl-ethyl)-4-(2-p-tolyl-ethylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid cyclopropylmethyl ester | CHEMBL375690
Type:
Small organic molecule
Emp. Form.:
C28H29ClN4O2
Mol. Mass.:
489.008
SMILES:
Cc1ccc(CCNc2c(cnc3n(CC(Cl)c4ccccc4)ncc23)C(=O)OCC2CC2)cc1
Structure:
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