Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50263203
Substrate
n/a
Meas. Tech.
ChEMBL_1697697 (CHEMBL4048587)
EC50
135±n/a nM
Citation
 Aurelio, L; Baltos, JA; Ford, L; Nguyen, ATN; Jörg, M; Devine, SM; Valant, C; White, PJ; Christopoulos, A; May, LT; Scammells, PJ A Structure-Activity Relationship Study of Bitopic N J Med Chem 61:2087-2103 (2018) [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:
BDBM50263203
Synonyms:
CHEMBL4077152
Type:
Small organic molecule
Emp. Form.:
C41H39ClF3N7O6S
Mol. Mass.:
850.305
SMILES:
Nc1sc(c(c1C(=O)c1ccccc1)-c1cccc(c1)C(F)(F)F)-c1ccc(cc1)C(=O)NCCCCCCNc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Structure:
Search PDB for entries with ligand similarity: