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BDBM50405753 CHEMBL170113

SMILES: Clc1ccc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2ccc(Cl)cc2)cc1

InChI Key: InChIKey=RKXRKRPDZVBZTI-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 = 50405753   
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))
BDBM50405753
PNG
(CHEMBL170113)
Show SMILES Clc1ccc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C34H56Cl2N4/c35-33-19-15-31(16-20-33)29-39-27-13-7-5-11-25-37-23-9-3-1-2-4-10-24-38-26-12-6-8-14-28-40-30-32-17-21-34(36)22-18-32/h15-22,37-40H,1-14,23-30H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 178n/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)
BDBM50405753
PNG
(CHEMBL170113)
Show SMILES Clc1ccc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C34H56Cl2N4/c35-33-19-15-31(16-20-33)29-39-27-13-7-5-11-25-37-23-9-3-1-2-4-10-24-38-26-12-6-8-14-28-40-30-32-17-21-34(36)22-18-32/h15-22,37-40H,1-14,23-30H2
MMDB

Reactome pathway
KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 2.34E+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