Reaction Details Report a problem with these data
Target
Muscarinic acetylcholine receptor M3
Ligand
BDBM50165019
Substrate
n/a
Meas. Tech.
ChEMBL_302413 (CHEMBL828817)
Ki
0.95±n/a nM
Citation
Kaur, K; Aeron, S; Bruhaspathy, M; Shetty, SJ; Gupta, S; Hegde, LH; Silamkoti, AD; Mehta, A; Chugh, A; Gupta, JB; Sarma, PK; Kumar, N Design, synthesis and activity of novel derivatives of oxybutynin and tolterodine. Bioorg Med Chem Lett 15:2093-6 (2005) [PubMed] Article
More Info.:
Target
Name:
Muscarinic acetylcholine receptor M3
Synonyms:
ACM3_RAT | Cholinergic, muscarinic M3 | Chrm-3 | Chrm3
Type:
Enzyme Catalytic Domain
Mol. Mass.:
66086.66
Organism:
RAT
Description:
Cholinergic, muscarinic M3 CHRM3 RAT::P08483
Residue:
589
Sequence:
MTLHSNSTTSPLFPNISSSWVHSPSEAGLPLGTVTQLGSYNISQETGNFSSNDTSSDPLGGHTIWQVVFIAFLTGFLALVTIIGNILVIVAFKVNKQLKTVNNYFLLSLACADLIIGVISMNLFTTYIIMNRWALGNLACDLWLSIDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTTKRAGVMIGLAWVISFVLWAPAILFWQYFVGKRTVPPGECFIQFLSEPTITFGTAIAAFYMPVTIMTILYWRIYKETEKRTKELAGLQASGTEAEAENFVHPTGSSRSCSSYELQQQGVKRSSRRKYGRCHFWFTTKSWKPSAEQMDQDHSSSDSWNNNDAAASLENSASSDEEDIGSETRAIYSIVLKLPGHSSILNSTKLPSSDNLQVSNEDLGTVDVERNAHKLQAQKSMGDGDNCQKDFTKLPIQLESAVDTGKTSDTNSSADKTTATLPLSFKEATLAKRFALKTRSQITKRKRMSLIKEKKAAQTLSAILLAFIITWTPYNIMVLVNTFCDSCIPKTYWNLGYWLCYINSTVNPVCYALCNKTFRTTFKTLLLCQCDKRKRRKQQYQQRQSVIFHKRVPEQAL
Inhibitor
Name:
BDBM50165019
Synonyms:
4-(Diethylamino)-2-butynyl alpha-phenylcyclohexaneglycolic acid ester | 4-(diethylamino)but-2-yn-1-yl cyclohexyl(hydroxy)phenylacetate | 4-Diethylamino-2-butinyl alpha-cyclohexylmandelat | 4-Diethylamino-2-butynyl alpha-phenylcyclohexaneglycolate | Benzeneacetic acid, alpha-cyclohexyl-alpha-hydroxy-, 4-(diethylamino)-2-butynyl ester | CHEMBL1231 | Cyclohexaneglycolic acid, alpha-phenyl-, 4-(diethylamino)-2-butynyl ester | OXYBUTYNIN CHLORIDE
Type:
Small organic molecule
Emp. Form.:
C22H31NO3
Mol. Mass.:
357.4864
SMILES:
CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)c1ccccc1