Reaction Details Report a problem with these data
Target
Alpha-2A adrenergic receptor
Ligand
BDBM50170198
Substrate
n/a
Meas. Tech.
ChEMBL_306231 (CHEMBL831139)
IC50
130±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:
450
Sequence:
MGSLQPDAGNASWNGTEAPGGGARATPYSLQVTLTLVCLAGLLMLLTVFGNVLVIIAVFTSRALKAPQNLFLVSLASADILVATLVIPFSLANEVMGYWYFGKAWCEIYLALDVLFCTSSIVHLCAISLDRYWSITQAIEYNLKRTPRRIKAIIITVWVISAVISFPPLISIEKKGGGGGPQPAEPRCEINDQKWYVISSCIGSFFAPCLIMILVYVRIYQIAKRRTRVPPSRRGPDAVAAPPGGTERRPNGLGPERSAGPGGAEAEPLPTQLNGAPGEPAPAGPRDTDALDLEESSSSDHAERPPGPRRPERGPRGKGKARASQVKPGDSLPRRGPGATGIGTPAAGPGEERVGAAKASRWRGRQNREKRFTFVLAVVIGVFVVCWFPFFFTYTLTAVGCSVPRTLFKFFFWFGYCNSSLNPVIYTIFNHDFRRAFKKILCRGDRKRIV
  
Inhibitor
Name:
BDBM50170198
Synonyms:
CHEMBL362193 | N-[4-(4-Dimethylamino-quinazolin-2-ylamino)-cyclohexyl]-3-fluoro-benzamide
Type:
Small organic molecule
Emp. Form.:
C23H26FN5O
Mol. Mass.:
407.4838
SMILES:
CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2cccc(F)c2)nc2ccccc12 |wU:10.13,7.6,(1.73,2.57,;.4,1.79,;-.93,2.56,;.4,.25,;1.75,-.51,;1.76,-2.06,;3.09,-2.81,;4.42,-2.05,;5.76,-2.83,;7.09,-2.06,;7.09,-.52,;5.75,.25,;4.42,-.52,;8.43,.25,;9.76,-.52,;9.76,-2.06,;11.09,.25,;12.42,-.52,;13.75,.25,;13.75,1.79,;12.41,2.56,;12.41,4.1,;11.09,1.79,;.43,-2.83,;-.91,-2.06,;-2.26,-2.85,;-3.59,-2.08,;-3.59,-.54,;-2.26,.25,;-.91,-.52,)|
Structure:
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