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BDBM50405741 CHEMBL167587

SMILES: COc1ccccc1CNCCCCCCNCCCCCCCCCCCCCCNCCCCCCNCc1ccccc1C

InChI Key: InChIKey=FDUJRPHRXBQMMD-UHFFFAOYSA-N

Data: 2 Kd

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 = 50405741   
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))
BDBM50405741
PNG
(CHEMBL167587)
Show SMILES COc1ccccc1CNCCCCCCNCCCCCCCCCCCCCCNCCCCCCNCc1ccccc1C
Show InChI InChI=1S/C42H74N4O/c1-39-27-17-18-28-40(39)37-45-35-25-15-13-23-33-43-31-21-11-9-7-5-3-4-6-8-10-12-22-32-44-34-24-14-16-26-36-46-38-41-29-19-20-30-42(41)47-2/h17-20,27-30,43-46H,3-16,21-26,31-38H2,1-2H3
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 135n/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonist potency against carbachol induced inhibition of electrically stimulated guinea pig atria Muscarinic acetylcholine receptor


J Med Chem 32: 79-84 (1989)


Article DOI: 10.1021/jm00121a017
BindingDB Entry DOI: 10.7270/Q2N017RN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50405741
PNG
(CHEMBL167587)
Show SMILES COc1ccccc1CNCCCCCCNCCCCCCCCCCCCCCNCCCCCCNCc1ccccc1C
Show InChI InChI=1S/C42H74N4O/c1-39-27-17-18-28-40(39)37-45-35-25-15-13-23-33-43-31-21-11-9-7-5-3-4-6-8-10-12-22-32-44-34-24-14-16-26-36-46-38-41-29-19-20-30-42(41)47-2/h17-20,27-30,43-46H,3-16,21-26,31-38H2,1-2H3
MMDB

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KEGG

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DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/a 1.41E+3n/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonist potency against carbachol induced contractions of isolated guinea pig ileum Muscarinic acetylcholine receptor


J Med Chem 32: 79-84 (1989)


Article DOI: 10.1021/jm00121a017
BindingDB Entry DOI: 10.7270/Q2N017RN
More data for this
Ligand-Target Pair