Target
Acetylcholine receptor subunit delta
Ligand
BDBM50211195
Substrate
n/a
Meas. Tech.
ChEMBL_1636037 (CHEMBL3878935)
EC50
>100000±n/a nM
Citation
 Cook, JZusi, FCMcDonald, IMKing, DHill, MDIwuagwu, CMate, RAFang, HZhao, RWang, BCutrone, JMa, BGao, QKnox, RJMatchett, MGallagher, LFerrante, MPost-Munson, DMolski, TEaston, AMiller, RJones, KDigavalli, SHealy, FLentz, KBenitex, YClarke, WNatale, JSiuciak, JALodge, NZaczek, RDenton, RMorgan, DBristow, LJMacor, JEOlson, RE Design and Synthesis of a New Series of 4-Heteroarylamino-1'-azaspiro[oxazole-5,3'-bicyclo[2.2.2]octanes asa7 Nicotinic Receptor Agonists. 1. Development of Pharmacophore and Early Structure-Activity Relationship. J Med Chem 59:11171-11181 (2016) [PubMed]  Article 
Target
Name:
Acetylcholine receptor subunit delta
Synonyms:
ACHD_RAT | Acetylcholine receptor subunit delta | Acrd | Chrnd
Type:
PROTEIN
Mol. Mass.:
58877.21
Organism:
Rattus norvegicus
Description:
ChEMBL_117053
Residue:
517
Sequence:
MAGPVPTLGLLAALVVCGSWGLNEEQRLIQHLFEEKGYNKELRPVARKEDIVDVALSLTLSNLISLKEVEETLTTNVWIDHAWIDSRLQWNANEFGNITVLRLPSDMVWLPEIVLENNNDGSFQISYACNVLVSDSGHVTWLPPAIFRSSCPISVTYFPFDWQNCSLKFSSLKYTAKEIRLSLKQEEEDNRSYPIEWIIIDPEGFTENGEWEIVHRAAKVNVDPSVPMDSTNHQDVTFYLIIRRKPLFYIINILVPCVLISFMINLVFYLPGDCGEKTSVAISVLLAQSVFLLLISKRLPATSMAIPLVGKFLLFGMVLVTMVVVICVIVLNIHFRTPSTHVLSEGVKKFFLETLPKLLHMSRPEEEDPGPRALIRRTSSLGYISKAEEYFSLKSRSDLMFEKQSERHGLARRLTTARKPPASSEQVQQELFNEMKPAVDGANFIVNHMRDQNSYNEEKDNWNQVARTVDRLCLFVVTPVMVVGTAWIFLQGVYNQPPPQPFPGDPFSYDEQDRRFI
  
Inhibitor
Name:
BDBM50211195
Synonyms:
CHEMBL3944506
Type:
Small organic molecule
Emp. Form.:
C17H20N4O2S
Mol. Mass.:
344.431
SMILES:
COc1ccc2nc(NC3=NC[C@@]4(CN5CCC4CC5)O3)sc2c1 |r,wU:12.21,t:9,THB:20:12:15.16:19.18,(37.09,-40.85,;35.6,-40.46,;34.52,-41.55,;34.92,-43.04,;33.83,-44.12,;32.35,-43.73,;31.07,-44.57,;29.87,-43.61,;28.38,-44.01,;27.98,-45.5,;28.96,-46.69,;28.12,-47.99,;26.63,-47.59,;26.93,-49.11,;25.44,-48.42,;23.78,-49.14,;23.56,-47.64,;25.16,-46.94,;25.24,-45.16,;25.72,-46.36,;26.55,-46.05,;30.42,-42.17,;31.96,-42.24,;33.04,-41.16,)|
Structure:
Search PDB for entries with ligand similarity: