BindingDB logo
myBDB logout

null

SMILES: COc1ccc(CCN(C(=O)OC2CCN(C)CC2)c2ccccc2)cc1

InChI Key: InChIKey=IEUILNNAXQDVCX-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 3 hits for monomerid = 50518574   
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))
BDBM50518574
PNG
(CHEMBL4456775)
Show SMILES COc1ccc(CCN(C(=O)OC2CCN(C)CC2)c2ccccc2)cc1
Show InChI InChI=1S/C22H28N2O3/c1-23-15-13-21(14-16-23)27-22(25)24(19-6-4-3-5-7-19)17-12-18-8-10-20(26-2)11-9-18/h3-11,21H,12-17H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
190n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M5 AChR expressed in CHO cell membranes after 1 to 2 hrs by liquid scintillation spectrometry method


Bioorg Med Chem Lett 29: 471-476 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.022
BindingDB Entry DOI: 10.7270/Q2NP27SC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50518574
PNG
(CHEMBL4456775)
Show SMILES COc1ccc(CCN(C(=O)OC2CCN(C)CC2)c2ccccc2)cc1
Show InChI InChI=1S/C22H28N2O3/c1-23-15-13-21(14-16-23)27-22(25)24(19-6-4-3-5-7-19)17-12-18-8-10-20(26-2)11-9-18/h3-11,21H,12-17H2,1-2H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
280n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M1 AChR expressed in CHO cell membranes after 1 to 2 hrs by liquid scintillation spectrometry method


Bioorg Med Chem Lett 29: 471-476 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.022
BindingDB Entry DOI: 10.7270/Q2NP27SC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50518574
PNG
(CHEMBL4456775)
Show SMILES COc1ccc(CCN(C(=O)OC2CCN(C)CC2)c2ccccc2)cc1
Show InChI InChI=1S/C22H28N2O3/c1-23-15-13-21(14-16-23)27-22(25)24(19-6-4-3-5-7-19)17-12-18-8-10-20(26-2)11-9-18/h3-11,21H,12-17H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
570n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M3 AChR expressed in CHO cell membranes after 1 to 2 hrs by liquid scintillation spectrometry method


Bioorg Med Chem Lett 29: 471-476 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.022
BindingDB Entry DOI: 10.7270/Q2NP27SC
More data for this
Ligand-Target Pair