Target
Adenosine receptor A1
Ligand
BDBM191816
Substrate
n/a
Meas. Tech.
Luciferase Assay
pH
7.4±n/a
Temperature
310.15±n/a K
EC50
0.4±n/a nM
Comments
extracted
Citation
 Vakalopoulos, AMeibom, DNell, PSussmeier, FAlbrecht-Kupper, BZimmermann, KKeldenich, JSchneider, DKrenz, U Substituted dicyanopyridines and use thereof US Patent  US9187428 Publication Date 11/17/2015 
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:
BDBM191816
Synonyms:
US9187428, 44
Type:
Small organic molecule
Emp. Form.:
C23H20N6O3S
Mol. Mass.:
460.508
SMILES:
CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(OC)cc3OC)c2C#N)ccn1 |(7.34,-5.39,;7.34,-3.85,;6,-3.08,;6,-1.54,;4.67,-3.85,;3.33,-3.08,;2,-3.85,;.67,-3.08,;-.67,-3.85,;-2,-3.08,;-3.33,-3.85,;-4.67,-3.08,;-6,-3.85,;-4.67,-1.54,;-6,-.77,;-7.34,,;-3.33,-.77,;-3.33,.77,;-4.67,1.54,;-4.67,3.08,;-3.33,3.85,;-3.33,5.39,;-2,6.16,;-2,3.08,;-2,1.54,;-.67,.77,;.67,1.54,;-2,-1.54,;-.67,-.77,;.67,,;2,-5.39,;3.33,-6.16,;4.67,-5.39,)|
Structure:
Search PDB for entries with ligand similarity: