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SMILES: C[C@@](N1CCCCC1)(C(=O)O[C@H]1C[N+]2(CC(=O)Nc3ccon3)CCC1CC2)c1ccccc1

InChI Key: InChIKey=FWGZCGKLVODFPY-ZKZAZUJQSA-O

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50419474   
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))		BDBM50419474
PNG
(CHEMBL1922051)
Show SMILES C[C@@](N1CCCCC1)(C(=O)O[C@H]1C[N+]2(CC(=O)Nc3ccon3)CCC1CC2)c1ccccc1 |r,wU:1.0,wD:11.11,1.31,(9,-23.29,;9.01,-21.75,;9,-20.2,;10.34,-19.43,;10.34,-17.89,;9,-17.12,;7.66,-17.89,;7.66,-19.44,;10.35,-22.52,;10.36,-24.07,;11.69,-21.74,;13.03,-22.51,;13.03,-24.06,;14.37,-24.82,;14.38,-26.36,;15.72,-27.12,;15.73,-28.66,;17.04,-26.34,;18.38,-27.1,;19.84,-26.62,;20.75,-27.86,;19.85,-29.11,;18.39,-28.64,;15.7,-24.06,;15.7,-22.51,;14.37,-21.73,;13.58,-23.06,;15.07,-23.45,;7.68,-22.52,;6.35,-21.75,;5.02,-22.51,;5.02,-24.05,;6.36,-24.82,;7.69,-24.05,)|
Show InChI InChI=1S/C26H34N4O4/c1-26(21-8-4-2-5-9-21,29-13-6-3-7-14-29)25(32)34-22-18-30(15-10-20(22)11-16-30)19-24(31)27-23-12-17-33-28-23/h2,4-5,8-9,12,17,20,22H,3,6-7,10-11,13-16,18-19H2,1H3/p+1/t20?,22-,26-,30?/m0/s1
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PC cid
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Article
PubMed
n/an/a 0.158n/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