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BDBM50095098 4-{2-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-[1,3]dioxan-2-yl}-[1,4']bipiperidinyl-1'-carboxylic acid ethyl ester::CHEMBL433011

SMILES: CCOC(=O)N1CCC(CC1)N1CCC(CC1)C1(OCCCO1)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1

InChI Key: InChIKey=PQRQGBWRFLYCFY-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50095098   
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 M2


(Homo sapiens (Human))		BDBM50095098
PNG
(4-{2-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-[1,3]d...)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC(CC1)C1(OCCCO1)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C30H40N2O7S/c1-3-37-29(33)32-19-15-25(16-20-32)31-17-13-24(14-18-31)30(38-21-4-22-39-30)23-5-9-27(10-6-23)40(34,35)28-11-7-26(36-2)8-12-28/h5-12,24-25H,3-4,13-22H2,1-2H3
PDB

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Similars
PubMed
 0.720n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human cloned acetylcholine receptor M2 in CHO cells.

Bioorg Med Chem Lett 10: 2727-30 (2000)


BindingDB Entry DOI: 10.7270/Q2V40TGZ
More data for this
Ligand-Target Pair