Reaction Details Report a problem with these data
Target
Adenosine receptor A3
Ligand
BDBM50007296
Substrate
n/a
Meas. Tech.
ChEMBL_1338754 (CHEMBL3242377)
Ki
2429±n/a nM
Citation
 DeMong, D; Dai, X; Hwa, J; Miller, M; Lin, SI; Kang, L; Stamford, A; Greenlee, W; Yu, W; Wong, M; Lavey, B; Kozlowski, J; Zhou, G; Yang, DY; Patel, B; Soriano, A; Zhai, Y; Sondey, C; Zhang, H; Lachowicz, J; Grotz, D; Cox, K; Morrison, R; Andreani, T; Cao, Y; Liang, M; Meng, T; McNamara, P; Wong, J; Bradley, P; Feng, KI; Belani, J; Chen, P; Dai, P; Gauuan, J; Lin, P; Zhao, H The discovery of N-((2H-tetrazol-5-yl)methyl)-4-((R)-1-((5r,8R)-8-(tert-butyl)-3-(3,5-dichlorophenyl)-2-oxo-1,4-diazaspiro[4.5]dec-3-en-1-yl)-4,4-dimethylpentyl)benzamide (SCH 900822): a potent and selective glucagon receptor antagonist. J Med Chem 57:2601-10 (2014) [PubMed]  Article 
Target
Name:
Adenosine receptor A3
Synonyms:
A3 adenosine receptor (hA3) | AA3R_HUMAN | ADORA3 | Adenosine A3 receptor (A3AR)
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
36197.32
Organism:
Homo sapiens (Human)
Description:
P0DMS8
Residue:
318
Sequence:
MPNNSTALSLANVTYITMEIFIGLCAIVGNVLVICVVKLNPSLQTTTFYFIVSLALADIAVGVLVMPLAIVVSLGITIHFYSCLFMTCLLLIFTHASIMSLLAIAVDRYLRVKLTVRYKRVTTHRRIWLALGLCWLVSFLVGLTPMFGWNMKLTSEYHRNVTFLSCQFVSVMRMDYMVYFSFLTWIFIPLVVMCAIYLDIFYIIRNKLSLNLSNSKETGAFYGREFKTAKSLFLVLFLFALSWLPLSIINCIIYFNGEVPQLVLYMGILLSHANSMMNPIVYAYKIKKFKETYLLILKACVVCHPSDSLDTSIEKNSE
  
Inhibitor
Name:
BDBM50007296
Synonyms:
CHEMBL3238246
Type:
Small organic molecule
Emp. Form.:
C34H43Cl2N7O2
Mol. Mass.:
652.657
SMILES:
CC(C)(C)CC[C@@H](N1C(=O)C(=N[C@@]11CC[C@@H](CC1)C(C)(C)C)c1cc(Cl)cc(Cl)c1)c1ccc(cc1)C(=O)NCc1nn[nH]n1 |r,wU:6.5,15.19,wD:12.13,c:10,(14.39,-29.64,;15.92,-29.51,;16.8,-30.77,;15.33,-30.92,;16.51,-28.08,;15.58,-26.85,;16.18,-25.43,;15.24,-24.21,;15.69,-22.73,;17.14,-22.22,;14.42,-21.86,;13.2,-22.79,;13.71,-24.25,;12.17,-24.12,;11.29,-25.39,;11.95,-26.78,;13.48,-26.9,;14.36,-25.64,;11.08,-28.04,;9.54,-28.18,;11.96,-29.31,;10.19,-29.31,;14.39,-20.32,;15.7,-19.52,;15.67,-17.98,;16.98,-17.18,;14.32,-17.24,;13,-18.03,;11.65,-17.3,;13.04,-19.57,;17.71,-25.32,;18.39,-23.94,;19.92,-23.82,;20.79,-25.1,;20.12,-26.48,;18.58,-26.59,;22.32,-24.98,;23.19,-26.25,;22.99,-23.59,;24.53,-23.47,;25.2,-22.08,;26.72,-21.81,;26.92,-20.29,;25.53,-19.61,;24.47,-20.73,)|
Structure:
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