Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50108679
Substrate
n/a
Meas. Tech.
ChEMBL_1506710 (CHEMBL3598726)
Ki
1260±n/a nM
Citation
 Deng, Q; Lim, YH; Anand, R; Yu, Y; Kim, JH; Zhou, W; Zheng, J; Tempest, P; Levorse, D; Zhang, X; Greene, S; Mullins, D; Culberson, C; Sherborne, B; Parker, EM; Stamford, A; Ali, A Use of molecular modeling aided design to dial out hERG liability in adenosine A(2A) receptor antagonists. Bioorg Med Chem Lett 25:2958-62 (2015) [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:
BDBM50108679
Synonyms:
CHEMBL3596518
Type:
Small organic molecule
Emp. Form.:
C18H20ClN9OS
Mol. Mass.:
445.929
SMILES:
COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4nsnc4Cl)nn3c(N)nc12 |r|
Structure:
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