Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50341189
Substrate
n/a
Meas. Tech.
ChEMBL_740587 (CHEMBL1764850)
Ki
6±n/a nM
Citation
 Firooznia, F; Cheung, AW; Brinkman, J; Grimsby, J; Gubler, ML; Hamid, R; Marcopulos, N; Ramsey, G; Tan, J; Wen, Y; Sarabu, R Discovery of benzothiazole-based adenosine A2B receptor antagonists with improved A2A selectivity. Bioorg Med Chem Lett 21:1933-6 (2011) [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:
BDBM50341189
Synonyms:
CHEMBL1760896 | trans-N-(7-(N-ethylacetamido)-4-methoxybenzo[d]thiazol-2-yl)-4-(3-(trifluoromethyl)phenylsulfonamido)cyclohexanecarboxamide
Type:
Small organic molecule
Emp. Form.:
C26H29F3N4O5S2
Mol. Mass.:
598.657
SMILES:
CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CC[C@@H](CC3)NS(=O)(=O)c3cccc(c3)C(F)(F)F)sc12 |r,wU:18.17,wD:21.24,(10.57,-46.93,;10.57,-45.39,;11.9,-44.62,;13.23,-45.39,;14.57,-44.62,;13.24,-46.93,;11.9,-43.08,;10.57,-42.31,;10.57,-40.76,;11.9,-39.99,;11.89,-38.45,;13.22,-37.68,;13.23,-40.76,;14.71,-40.28,;15.62,-41.53,;17.16,-41.53,;17.93,-40.2,;17.16,-38.86,;19.46,-40.19,;20.23,-38.85,;21.77,-38.86,;22.54,-40.2,;21.76,-41.53,;20.23,-41.52,;24.08,-40.2,;24.85,-41.54,;23.5,-42.3,;24.83,-43.07,;26.38,-41.53,;27.14,-42.85,;28.67,-42.85,;29.43,-41.52,;28.65,-40.19,;27.12,-40.21,;29.41,-38.86,;30.95,-38.84,;28.63,-37.53,;30.17,-37.51,;14.71,-42.78,;13.23,-42.31,)|
Structure:
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