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SMILES: CCN([C@H](C)c1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2CCCc2c1

InChI Key: InChIKey=PADGKRUSHNXDLQ-LJQANCHMSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50023246   
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 M5


(Homo sapiens (Human))
BDBM50023246
PNG
(CHEMBL3329739)
Show SMILES CCN([C@H](C)c1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2CCCc2c1 |r|
Show InChI InChI=1S/C25H32N2O3S/c1-3-27(19(2)20-8-5-4-6-9-20)25(28)22-14-16-26(17-15-22)31(29,30)24-13-12-21-10-7-11-23(21)18-24/h4-6,8-9,12-13,18-19,22H,3,7,10-11,14-17H2,1-2H3/t19-/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 730n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)


Article DOI: 10.1021/jm500995y
BindingDB Entry DOI: 10.7270/Q2ST7RFM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50023246
PNG
(CHEMBL3329739)
Show SMILES CCN([C@H](C)c1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2CCCc2c1 |r|
Show InChI InChI=1S/C25H32N2O3S/c1-3-27(19(2)20-8-5-4-6-9-20)25(28)22-14-16-26(17-15-22)31(29,30)24-13-12-21-10-7-11-23(21)18-24/h4-6,8-9,12-13,18-19,22H,3,7,10-11,14-17H2,1-2H3/t19-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 724n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)


Article DOI: 10.1021/jm500995y
BindingDB Entry DOI: 10.7270/Q2ST7RFM
More data for this
Ligand-Target Pair