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BDBM50121134 (3-Amino-2-methyl-phenyl)-(4-{2-[4-(4-methoxy-benzenesulfonyl)-phenyl]-[1,3]dioxolan-2-yl}-[1,4']bipiperidinyl-1'-yl)-methanone::CHEMBL324484

SMILES: COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc(N)c1C

InChI Key: InChIKey=GNGHNCGVBQKMJQ-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50121134   
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


(RAT)
BDBM50121134
PNG
((3-Amino-2-methyl-phenyl)-(4-{2-[4-(4-methoxy-benz...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc(N)c1C
Show InChI InChI=1S/C34H41N3O6S/c1-24-31(4-3-5-32(24)35)33(38)37-20-16-27(17-21-37)36-18-14-26(15-19-36)34(42-22-23-43-34)25-6-10-29(11-7-25)44(39,40)30-12-8-28(41-2)9-13-30/h3-13,26-27H,14-23,35H2,1-2H3
PDB

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PC cid
PC sid
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Similars

PubMed
0.400n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 12: 3479-82 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1RGD
More data for this
Ligand-Target Pair