Reaction Details Report a problem with these data
Target
Alpha-2A adrenergic receptor
Ligand
BDBM50170176
Substrate
n/a
Meas. Tech.
ChEMBL_306231 (CHEMBL831139)
IC50
63±n/a nM
Citation
 Kanuma, K; Omodera, K; Nishiguchi, M; Funakoshi, T; Chaki, S; Semple, G; Tran, TA; Kramer, B; Hsu, D; Casper, M; Thomsen, B; Sekiguchi, Y Lead optimization of 4-(dimethylamino)quinazolines, potent and selective antagonists for the melanin-concentrating hormone receptor 1. Bioorg Med Chem Lett 15:3853-6 (2005) [PubMed]  Article 
Target
Name:
Alpha-2A adrenergic receptor
Synonyms:
ADA2A_HUMAN | ADRA2A | ADRA2R | ADRAR | Adrenergic alpha2A | Adrenergic receptor alpha | Alpha-2 adrenergic receptor subtype C10 | Alpha-2A adrenoceptor | Alpha-2A adrenoreceptor | Alpha-2AAR | alpha-2A adrenergic receptor [Homo sapiens]
Type:
Enzyme
Mol. Mass.:
48979.91
Organism:
Homo sapiens (Human)
Description:
P08913
Residue:
465
Sequence:
MFRQEQPLAEGSFAPMGSLQPDAGNASWNGTEAPGGGARATPYSLQVTLTLVCLAGLLMLLTVFGNVLVIIAVFTSRALKAPQNLFLVSLASADILVATLVIPFSLANEVMGYWYFGKAWCEIYLALDVLFCTSSIVHLCAISLDRYWSITQAIEYNLKRTPRRIKAIIITVWVISAVISFPPLISIEKKGGGGGPQPAEPRCEINDQKWYVISSCIGSFFAPCLIMILVYVRIYQIAKRRTRVPPSRRGPDAVAAPPGGTERRPNGLGPERSAGPGGAEAEPLPTQLNGAPGEPAPAGPRDTDALDLEESSSSDHAERPPGPRRPERGPRGKGKARASQVKPGDSLPRRGPGATGIGTPAAGPGEERVGAAKASRWRGRQNREKRFTFVLAVVIGVFVVCWFPFFFTYTLTAVGCSVPRTLFKFFFWFGYCNSSLNPVIYTIFNHDFRRAFKKILCRGDRKRIV
  
Inhibitor
Name:
BDBM50170176
Synonyms:
3-Bromo-N-[4-(4-dimethylamino-quinazolin-2-ylamino)-cyclohexyl]-benzamide | CHEMBL359510
Type:
Small organic molecule
Emp. Form.:
C23H26BrN5O
Mol. Mass.:
468.389
SMILES:
CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2cccc(Br)c2)nc2ccccc12 |wU:10.13,7.6,(.45,2.75,;-.88,1.98,;-2.22,2.73,;-.88,.44,;.47,-.33,;.47,-1.87,;1.8,-2.64,;3.13,-1.87,;4.48,-2.64,;5.81,-1.87,;5.81,-.33,;4.46,.44,;3.13,-.33,;7.15,.44,;8.48,-.33,;8.48,-1.87,;9.81,.44,;11.14,-.33,;12.47,.44,;12.47,1.98,;11.13,2.75,;11.13,4.29,;9.81,1.96,;-.86,-2.66,;-2.19,-1.89,;-3.54,-2.67,;-4.87,-1.9,;-4.87,-.35,;-3.54,.42,;-2.19,-.35,)|
Structure:
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