Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50011294
Substrate
n/a
Meas. Tech.
ChEMBL_1654444 (CHEMBL4003810)
Ki
1700±n/a nM
Citation
 Basu, S; Barawkar, DA; Thorat, S; Shejul, YD; Patel, M; Naykodi, M; Jain, V; Salve, Y; Prasad, V; Chaudhary, S; Ghosh, I; Bhat, G; Quraishi, A; Patil, H; Ansari, S; Menon, S; Unadkat, V; Thakare, R; Seervi, MS; Meru, AV; De, S; Bhamidipati, RK; Rouduri, SR; Palle, VP; Chug, A; Mookhtiar, KA Design, Synthesis of Novel, Potent, Selective, Orally Bioavailable Adenosine A J Med Chem 60:681-694 (2017) [PubMed]  Article 
Target
Name:
Adenosine receptor A1
Synonyms:
A1 adenosine receptor (hA1) | A1AR | AA1R_HUMAN | ADENOSINE A1 | ADORA1 | Adenosine A1 receptor (A1AR) | Adenosine A1-receptor | Adenosine receptor A1 (A1) | Adenosine receptor A1 (hA1) | Adenosine transporter (AdT)
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
36520.92
Organism:
Homo sapiens (Human)
Description:
P30542
Residue:
326
Sequence:
MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD
  
Inhibitor
Name:
BDBM50011294
Synonyms:
A2A | Ro-4494351 | Ro-4494351-002 | Ro-4494351000 | SYN-115 | TOZADENANT
Type:
Small organic molecule
Emp. Form.:
C19H26N4O4S
Mol. Mass.:
406.499
SMILES:
COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(C)(O)CC3)nc12
Structure:
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