Reaction Details Report a problem with these data
Target
Alpha-2A adrenergic receptor
Ligand
BDBM50170175
Substrate
n/a
Meas. Tech.
ChEMBL_306231 (CHEMBL831139)
IC50
170±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:
BDBM50170175
Synonyms:
cis-N*2*-[4-(4-Bromo-2-trifluoromethoxy-benzylamino)-cyclohexyl]-N*4*,N*4*-dimethyl-quinazoline-2,4-diamine | CHEMBL178084
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
CN(C)c1nc(NC2CCC(CC2)NCc2ccc(Br)cc2OC(F)(F)F)nc2ccccc12 |(8.32,-4.94,;6.98,-5.71,;5.64,-4.94,;6.98,-7.26,;8.32,-8.03,;8.32,-9.57,;9.66,-10.37,;10.76,-9.27,;10.76,-10.8,;12.07,-11.57,;13.42,-10.81,;13.42,-9.27,;12.09,-8.5,;14.75,-11.58,;16.09,-12.35,;17.42,-11.57,;17.4,-10.04,;18.73,-9.26,;20.07,-10.02,;21.4,-9.24,;20.08,-11.56,;18.76,-12.35,;18.76,-13.89,;20.09,-14.66,;21.61,-14.08,;21.32,-15.35,;20.37,-16.23,;6.98,-10.34,;5.64,-9.57,;4.31,-10.34,;2.98,-9.57,;2.98,-8.04,;4.31,-7.26,;5.64,-8.03,)|
Structure:
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