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SMILES: CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2cccnc2c1

InChI Key: InChIKey=YIMIFQDTOTUYQB-UHFFFAOYSA-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 = 50023237   
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))
BDBM50023237
PNG
(CHEMBL3329728)
Show SMILES CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2cccnc2c1
Show InChI InChI=1S/C24H27N3O3S/c1-2-26(18-19-7-4-3-5-8-19)24(28)21-12-15-27(16-13-21)31(29,30)22-11-10-20-9-6-14-25-23(20)17-22/h3-11,14,17,21H,2,12-13,15-16,18H2,1H3
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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/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))
BDBM50023237
PNG
(CHEMBL3329728)
Show SMILES CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2cccnc2c1
Show InChI InChI=1S/C24H27N3O3S/c1-2-26(18-19-7-4-3-5-8-19)24(28)21-12-15-27(16-13-21)31(29,30)22-11-10-20-9-6-14-25-23(20)17-22/h3-11,14,17,21H,2,12-13,15-16,18H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a<1.00E+4n/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