BindingDB logo
myBDB logout

BDBM50208043 1-methyl-3-(R)-[4,4-Bis-(4-fluoro-phenyl)-2-oxo-imidazolidin-1-yl]-1-phenethyl-pyrrolidinium::CHEMBL223668

SMILES: C[N+]1(CCc2ccccc2)CC[C@H](C1)N1CC(NC1=O)(c1ccc(F)cc1)c1ccc(F)cc1

InChI Key: InChIKey=QTWQZQOULZVQSB-UOQVMRJOSA-O

Data: 2 KI  2 IC50

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 = 50208043   
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 M3


(Homo sapiens (Human))
BDBM50208043
PNG
(1-methyl-3-(R)-[4,4-Bis-(4-fluoro-phenyl)-2-oxo-im...)
Show SMILES C[N+]1(CCc2ccccc2)CC[C@H](C1)N1CC(NC1=O)(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C28H29F2N3O/c1-33(17-15-21-5-3-2-4-6-21)18-16-26(19-33)32-20-28(31-27(32)34,22-7-11-24(29)12-8-22)23-9-13-25(30)14-10-23/h2-14,26H,15-20H2,1H3/p+1/t26-,33?/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.75n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHOK1 cells


J Med Chem 50: 1693-7 (2007)


Article DOI: 10.1021/jm061160+
BindingDB Entry DOI: 10.7270/Q2M32VF5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50208043
PNG
(1-methyl-3-(R)-[4,4-Bis-(4-fluoro-phenyl)-2-oxo-im...)
Show SMILES C[N+]1(CCc2ccccc2)CC[C@H](C1)N1CC(NC1=O)(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C28H29F2N3O/c1-33(17-15-21-5-3-2-4-6-21)18-16-26(19-33)32-20-28(31-27(32)34,22-7-11-24(29)12-8-22)23-9-13-25(30)14-10-23/h2-14,26H,15-20H2,1H3/p+1/t26-,33?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
21.9n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M2 receptor expressed in CHOK1 cells


J Med Chem 50: 1693-7 (2007)


Article DOI: 10.1021/jm061160+
BindingDB Entry DOI: 10.7270/Q2M32VF5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50208043
PNG
(1-methyl-3-(R)-[4,4-Bis-(4-fluoro-phenyl)-2-oxo-im...)
Show SMILES C[N+]1(CCc2ccccc2)CC[C@H](C1)N1CC(NC1=O)(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C28H29F2N3O/c1-33(17-15-21-5-3-2-4-6-21)18-16-26(19-33)32-20-28(31-27(32)34,22-7-11-24(29)12-8-22)23-9-13-25(30)14-10-23/h2-14,26H,15-20H2,1H3/p+1/t26-,33?/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.5n/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Activity at muscarinic M3 receptor in Albino Dunkin-Hartley guinea pig trachea assessed as inhibition of carbachol-induced contraction


J Med Chem 50: 1693-7 (2007)


Article DOI: 10.1021/jm061160+
BindingDB Entry DOI: 10.7270/Q2M32VF5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50208043
PNG
(1-methyl-3-(R)-[4,4-Bis-(4-fluoro-phenyl)-2-oxo-im...)
Show SMILES C[N+]1(CCc2ccccc2)CC[C@H](C1)N1CC(NC1=O)(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C28H29F2N3O/c1-33(17-15-21-5-3-2-4-6-21)18-16-26(19-33)32-20-28(31-27(32)34,22-7-11-24(29)12-8-22)23-9-13-25(30)14-10-23/h2-14,26H,15-20H2,1H3/p+1/t26-,33?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 140n/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Activity at muscarinic M2 receptor in Albino Dunkin-Hartley guinea pig left atria assessed as inhibition of methacholine-induced bradycardia


J Med Chem 50: 1693-7 (2007)


Article DOI: 10.1021/jm061160+
BindingDB Entry DOI: 10.7270/Q2M32VF5
More data for this
Ligand-Target Pair