BindingDB logo
myBDB logout

BDBM50246628 CHEMBL4093215

SMILES: [O-]C=O.C[N+](C)(C)C1CCc2ccc3ccoc3c2C1

InChI Key: InChIKey=KVJCIKLBYVEBRI-UHFFFAOYSA-M

Data: 3 KI  1 EC50

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 4 hits for monomerid = 50246628   
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 M1


(Homo sapiens (Human))
BDBM50246628
PNG
(CHEMBL4093215)
Show SMILES [O-]C=O.C[N+](C)(C)C1CCc2ccc3ccoc3c2C1
Show InChI InChI=1S/C15H20NO.CH2O2/c1-16(2,3)13-7-6-11-4-5-12-8-9-17-15(12)14(11)10-13;2-1-3/h4-5,8-9,13H,6-7,10H2,1-3H3;1H,(H,2,3)/q+1;/p-1
UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
380n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopolamine bromide from human recombinant muscarinic M1 receptor expressed in HEK293T cell membranes after 1 hr by liqu...


J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
BindingDB Entry DOI: 10.7270/Q2445PW2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50246628
PNG
(CHEMBL4093215)
Show SMILES [O-]C=O.C[N+](C)(C)C1CCc2ccc3ccoc3c2C1
Show InChI InChI=1S/C15H20NO.CH2O2/c1-16(2,3)13-7-6-11-4-5-12-8-9-17-15(12)14(11)10-13;2-1-3/h4-5,8-9,13H,6-7,10H2,1-3H3;1H,(H,2,3)/q+1;/p-1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
690n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopolamine bromide from human recombinant muscarinic M3 receptor expressed in HEK293T cell membranes after 1 hr by liqu...


J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
BindingDB Entry DOI: 10.7270/Q2445PW2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(Homo sapiens (Human))
BDBM50246628
PNG
(CHEMBL4093215)
Show SMILES [O-]C=O.C[N+](C)(C)C1CCc2ccc3ccoc3c2C1
Show InChI InChI=1S/C15H20NO.CH2O2/c1-16(2,3)13-7-6-11-4-5-12-8-9-17-15(12)14(11)10-13;2-1-3/h4-5,8-9,13H,6-7,10H2,1-3H3;1H,(H,2,3)/q+1;/p-1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
790n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopolamine bromide from human recombinant muscarinic M2 receptor expressed in HEK293T cell membranes after 1 hr by liqu...


J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
BindingDB Entry DOI: 10.7270/Q2445PW2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(Homo sapiens (Human))
BDBM50246628
PNG
(CHEMBL4093215)
Show SMILES [O-]C=O.C[N+](C)(C)C1CCc2ccc3ccoc3c2C1
Show InChI InChI=1S/C15H20NO.CH2O2/c1-16(2,3)13-7-6-11-4-5-12-8-9-17-15(12)14(11)10-13;2-1-3/h4-5,8-9,13H,6-7,10H2,1-3H3;1H,(H,2,3)/q+1;/p-1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.30E+3n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant muscarinic M2 receptor co-expressed with Galphaqi5-HA in African green monkey COS7 cells assessed as IP accumul...


J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
BindingDB Entry DOI: 10.7270/Q2445PW2
More data for this
Ligand-Target Pair