Reaction Details Report a problem with these data
Target
Alpha-2A adrenergic receptor
Ligand
BDBM50170199
Substrate
n/a
Meas. Tech.
ChEMBL_306231 (CHEMBL831139)
IC50
150±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:
ADRA2R | Adrenergic receptor alpha | ADRA2A | Adrenergic alpha2A | Alpha-2 adrenergic receptor subtype C10 | alpha-2A adrenergic receptor [Homo sapiens] | ADRAR | ADA2A_HUMAN | Alpha-2AAR | Alpha-2A adrenoceptor | Alpha-2A adrenoreceptor
Type:
Enzyme
Mol. Mass.:
48979.91
Organism:
Human
Description:
P08913
Residue:
465
Sequence:
MFRQEQPLAEGSFAPMGSLQPDAGNASWNGTEAPGGGARATPYSLQVTLTLVCLAGLLMLLTVFGNVLVIIAVFTSRALKAPQNLFLVSLASADILVATLVIPFSLANEVMGYWYFGKAWCEIYLALDVLFCTSSIVHLCAISLDRYWSITQAIEYNLKRTPRRIKAIIITVWVISAVISFPPLISIEKKGGGGGPQPAEPRCEINDQKWYVISSCIGSFFAPCLIMILVYVRIYQIAKRRTRVPPSRRGPDAVAAPPGGTERRPNGLGPERSAGPGGAEAEPLPTQLNGAPGEPAPAGPRDTDALDLEESSSSDHAERPPGPRRPERGPRGKGKARASQVKPGDSLPRRGPGATGIGTPAAGPGEERVGAAKASRWRGRQNREKRFTFVLAVVIGVFVVCWFPFFFTYTLTAVGCSVPRTLFKFFFWFGYCNSSLNPVIYTIFNHDFRRAFKKILCRGDRKRIV
  
Inhibitor
Name:
BDBM50170199
Synonyms:
N-[4-(4-Dimethylamino-quinazolin-2-ylamino)-cyclohexyl]-4-fluoro-benzamide | CHEMBL361442
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)cc2)nc2ccccc12 |wU:10.13,7.6,(-.37,3.9,;.98,3.14,;2.31,3.91,;.99,1.6,;2.32,.83,;2.33,-.71,;3.66,-1.47,;5,-.71,;6.33,-1.48,;7.66,-.71,;7.66,.83,;6.33,1.6,;4.99,.83,;9.01,1.6,;10.34,.83,;10.34,-.71,;11.67,1.6,;11.67,3.13,;12.98,3.91,;14.33,3.14,;15.66,3.91,;14.33,1.6,;13,.83,;1,-1.49,;-.34,-.72,;-1.67,-1.5,;-3,-.73,;-3,.82,;-1.67,1.59,;-.34,.82,)|
Structure:
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