Reaction Details  Report a problem with these data
Target
Neuronal acetylcholine receptor subunit alpha-4
Ligand
BDBM50296717
Substrate
n/a
Meas. Tech.
ChEMBL_582486 (CHEMBL1058163)
IC50
2615±n/a nM
Citation
 O'Donnell, CJ; Peng, L; O'Neill, BT; Arnold, EP; Mather, RJ; Sands, SB; Shrikhande, A; Lebel, LA; Spracklin, DK; Nedza, FM Synthesis and SAR studies of 1,4-diazabicyclo[3.2.2]nonane phenyl carbamates--subtype selective, high affinity alpha7 nicotinic acetylcholine receptor agonists. Bioorg Med Chem Lett 19:4747-51 (2009) [PubMed]  Article
Target
Name:
Neuronal acetylcholine receptor subunit alpha-4
Synonyms:
ACHA4_RAT | Acra4 | Cholinergic, Nicotinic Alpha4Beta2 | Cholinergic, Nicotinic Alpha4Beta4 | Chrna4 | Neuronal acetylcholine receptor | Neuronal acetylcholine receptor (alpha4beta2 nAChR) | Neuronal acetylcholine receptor protein alpha-4 subunit | Neuronal acetylcholine receptor subunit alpha 4 beta 2 | Neuronal acetylcholine receptor subunit alpha-4
Type:
Enzyme
Mol. Mass.:
70196.44
Organism:
Rattus norvegicus (Rat)
Description:
P09483
Residue:
630
Sequence:
MANSGTGAPPPLLLLPLLLLLGTGLLPASSHIETRAHAEERLLKRLFSGYNKWSRPVANISDVVLVRFGLSIAQLIDVDEKNQMMTTNVWVKQEWHDYKLRWDPGDYENVTSIRIPSELIWRPDIVLYNNADGDFAVTHLTKAHLFYDGRVQWTPPAIYKSSCSIDVTFFPFDQQNCTMKFGSWTYDKAKIDLVSMHSRVDQLDFWESGEWVIVDAVGTYNTRKYECCAEIYPDITYAFIIRRLPLFYTINLIIPCLLISCLTVLVFYLPSECGEKVTLCISVLLSLTVFLLLITEIIPSPTSLVIPLIGEYLLFTMIFVTLSIVITVFVLNVHHRSPRTHTMPAWVRRVFLDIVPRLLFMKRPSVVKDNCRRLIESMHKMANAPRFWPEPVGEPGILSDICNQGLSPAPTFCNPTDTAVETQPTCRSPPLEVPDLKTSEVEKASPCPSPGSCPPPKSSSGAPMLIKARSLSVQHVPSSQEAAEDGIRCRSRSIQYCVSQDGAASLADSKPTSSPTSLKARPSQLPVSDQASPCKCTCKEPSPVSPVTVLKAGGTKAPPQHLPLSPALTRAVEGVQYIADHLKAEDTDFSVKEDWKYVAMVIDRIFLWMFIIVCLLGTVGLFLPPWLAAC
  
Inhibitor
Name:
BDBM50296717
Synonyms:
3-benzoylphenyl 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate | CHEMBL561070
Type:
Small organic molecule
Emp. Form.:
C21H22N2O3
Mol. Mass.:
350.411
SMILES:
O=C(Oc1cccc(c1)C(=O)c1ccccc1)N1CCN2CCC1CC2 |TLB:1:17:22.21:24.25,(27.34,-3.85,;27.34,-5.38,;28.68,-6.15,;30.01,-5.38,;30,-3.85,;31.33,-3.07,;32.68,-3.84,;32.68,-5.38,;31.34,-6.15,;34.01,-6.15,;35.34,-5.38,;34.01,-7.69,;32.67,-8.46,;32.67,-10,;34.01,-10.77,;35.34,-10,;35.34,-8.46,;26.01,-6.15,;26.12,-7.67,;25.25,-6.78,;23.88,-6.61,;24.1,-4.92,;24.91,-3.89,;24.73,-5.3,;23.33,-5.76,;22.79,-7.14,)|
Structure:
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