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SMILES: Cc1cccc(CN2CCC(CC2)N2CC(NC2=O)(C2CCCCC2)c2ccccc2)c1

InChI Key: InChIKey=MRELIADAHWJAPD-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50207998   
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))
BDBM50207998
PNG
(3-(1-(3-methylbenzyl)-piperidin-4-yl)-5-phenyl-5-c...)
Show SMILES Cc1cccc(CN2CCC(CC2)N2CC(NC2=O)(C2CCCCC2)c2ccccc2)c1
Show InChI InChI=1S/C28H37N3O/c1-22-9-8-10-23(19-22)20-30-17-15-26(16-18-30)31-21-28(29-27(31)32,24-11-4-2-5-12-24)25-13-6-3-7-14-25/h2,4-5,8-12,19,25-26H,3,6-7,13-18,20-21H2,1H3,(H,29,32)
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
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Similars

Article
PubMed
4.54n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50207998
PNG
(3-(1-(3-methylbenzyl)-piperidin-4-yl)-5-phenyl-5-c...)
Show SMILES Cc1cccc(CN2CCC(CC2)N2CC(NC2=O)(C2CCCCC2)c2ccccc2)c1
Show InChI InChI=1S/C28H37N3O/c1-22-9-8-10-23(19-22)20-30-17-15-26(16-18-30)31-21-28(29-27(31)32,24-11-4-2-5-12-24)25-13-6-3-7-14-25/h2,4-5,8-12,19,25-26H,3,6-7,13-18,20-21H2,1H3,(H,29,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
166n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M2 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair