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BDBM50381640 CHEMBL2023613

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

InChI Key: InChIKey=LNLHXQQVDKSMLL-FTWYDNTESA-N

Data: 1 Kd

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50381640   
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))
BDBM50381640
PNG
(CHEMBL2023613)
Show SMILES CCC[N+]1(C)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,wD:10.11,TLB:4:3:10.9.27:7.6,THB:2:3:10.9.27:7.6,11:10:3:7.6,(34.82,5.42,;34.06,4.08,;34.84,2.75,;34.08,1.42,;32.58,1.82,;35.13,.58,;34.53,-.76,;33.35,-1.47,;34.34,-.12,;36.18,-.12,;37.16,-.93,;37.93,-2.26,;39.47,-2.26,;39.86,-.76,;40.26,.74,;40.25,-3.59,;39.48,-4.92,;40.25,-6.26,;41.79,-6.25,;42.56,-4.91,;41.78,-3.58,;40.95,-1.85,;42.05,-2.94,;43.53,-2.53,;43.92,-1.04,;42.81,.04,;41.34,-.37,;36.89,.61,)|
Show InChI InChI=1S/C26H33N2/c1-3-16-28(2)24-14-15-25(28)18-21(17-24)19-26(20-27,22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-13,21,24-25H,3,14-19H2,1-2H3/q+1/t21-,24?,25?,28?
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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