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BDBM50381643 CHEMBL2023759

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

InChI Key: InChIKey=UDMKFFNSBAZNJY-ACZULYKJSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50381643   
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))
BDBM50381643
PNG
(CHEMBL2023759)
Show SMILES CCCCCCCCCCCC[N+]1(C)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,wD:19.20,TLB:13:12:19.18.36:16.15,THB:11:12:19.18.36:16.15,20:19:12:16.15,(4.9,-32.84,;5.68,-34.17,;4.92,-35.51,;5.7,-36.84,;4.94,-38.18,;5.72,-39.5,;4.96,-40.84,;5.74,-42.17,;4.97,-43.51,;5.75,-44.84,;4.99,-46.18,;5.77,-47.51,;5.01,-48.85,;3.52,-48.44,;6.07,-49.68,;5.47,-51.02,;4.29,-51.73,;5.27,-50.38,;7.11,-50.38,;8.09,-51.19,;8.86,-52.52,;10.4,-52.52,;10.8,-51.02,;11.19,-49.52,;11.18,-53.85,;10.41,-55.18,;11.18,-56.51,;12.72,-56.51,;13.49,-55.16,;12.71,-53.84,;11.88,-52.11,;12.98,-53.19,;14.46,-52.79,;14.84,-51.3,;13.74,-50.22,;12.26,-50.63,;7.82,-49.65,)|
Show InChI InChI=1S/C35H51N2/c1-3-4-5-6-7-8-9-10-11-18-25-37(2)33-23-24-34(37)27-30(26-33)28-35(29-36,31-19-14-12-15-20-31)32-21-16-13-17-22-32/h12-17,19-22,30,33-34H,3-11,18,23-28H2,1-2H3/q+1/t30-,33?,34?,37?
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PC cid
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Article
PubMed
n/an/a 64n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


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