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BDBM50381647 CHEMBL2023612

SMILES: CC[N+]1(C)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2

InChI Key: InChIKey=KVABVPFNUZZHGO-SKDOWNRHSA-N

Data: 1 Kd

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50381647   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50381647
PNG
(CHEMBL2023612)
Show SMILES CC[N+]1(C)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,wD:9.10,TLB:3:2:9.8.26:6.5,THB:1:2:9.8.26:6.5,10:9:2:6.5,(20.18,4.9,;20.96,3.57,;20.2,2.23,;18.7,2.64,;21.25,1.4,;20.65,.06,;19.47,-.65,;20.46,.69,;22.3,.69,;23.28,-.12,;24.05,-1.45,;25.59,-1.44,;25.99,.05,;26.38,1.55,;26.37,-2.78,;25.6,-4.11,;26.37,-5.44,;27.91,-5.44,;28.68,-4.09,;27.9,-2.76,;27.08,-1.04,;28.17,-2.12,;29.65,-1.71,;30.04,-.22,;28.93,.86,;27.46,.45,;23.01,1.43,)|
Show InChI InChI=1S/C25H31N2/c1-3-27(2)23-14-15-24(27)17-20(16-23)18-25(19-26,21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-13,20,23-24H,3,14-18H2,1-2H3/q+1/t20-,23?,24?,27?
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 0.0501n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist potency at human muscarinic acetylcholine M3 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium mobilization by...


Bioorg Med Chem Lett 22: 3366-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.015
BindingDB Entry DOI: 10.7270/Q2C82B9Q
More data for this
Ligand-Target Pair