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BDBM50419510 CHEMBL1924042

SMILES: CC(C)[N+]12CCC(CC1)[C@H](C2)OC(=O)[C@@](C)(N1CCCCC1)c1ccccc1

InChI Key: InChIKey=ZXAIBYRKWLCJDI-KKHVISAVSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50419510   
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))		BDBM50419510
PNG
(CHEMBL1924042)
Show SMILES CC(C)[N+]12CCC(CC1)[C@H](C2)OC(=O)[C@@](C)(N1CCCCC1)c1ccccc1 |r,wU:14.16,wD:9.12,14.15,(-2.78,-2.4,;-1.48,-1.59,;-.12,-2.32,;-1.52,-.05,;-.19,.71,;-.19,2.25,;-1.52,3.03,;-2.3,1.71,;-.82,1.31,;-2.86,2.25,;-2.86,.71,;-4.2,3.02,;-5.53,2.24,;-5.53,.7,;-6.87,3.01,;-6.88,1.47,;-6.88,4.56,;-5.54,5.34,;-5.54,6.87,;-6.87,7.65,;-8.21,6.88,;-8.21,5.33,;-8.21,2.26,;-9.53,3.04,;-10.87,2.29,;-10.88,.75,;-9.55,-.03,;-8.22,.73,)|
Show InChI InChI=1S/C24H37N2O2/c1-19(2)26-16-12-20(13-17-26)22(18-26)28-23(27)24(3,21-10-6-4-7-11-21)25-14-8-5-9-15-25/h4,6-7,10-11,19-20,22H,5,8-9,12-18H2,1-3H3/q+1/t20?,22-,24-,26?/m0/s1
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Similars
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from recombinant human M3 receptor expressed in CHO-K1 cells after 16 hrs

Bioorg Med Chem Lett 21: 7440-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.002
BindingDB Entry DOI: 10.7270/Q2H41SPH
More data for this
Ligand-Target Pair