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BDBM50004733 1-Methyl-3-(4-pyrrolidin-1-yl-but-2-ynyl)-imidazolidin-2-one::CHEMBL77079

SMILES: CN1CCN(CC#CCN2CCCC2)C1=O

InChI Key: InChIKey=WSUDGBJNOLZUBI-UHFFFAOYSA-N

Data: 3 KI  1 Kd  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 5 hits for monomerid = 50004733   
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


(RAT)
BDBM50004733
PNG
(1-Methyl-3-(4-pyrrolidin-1-yl-but-2-ynyl)-imidazol...)
Show SMILES CN1CCN(CC#CCN2CCCC2)C1=O
Show InChI InChI=1S/C12H19N3O/c1-13-10-11-15(12(13)16)9-5-4-8-14-6-2-3-7-14/h2-3,6-11H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
2.70n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL




J Med Chem 34: 2314-27 (1991)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50004733
PNG
(1-Methyl-3-(4-pyrrolidin-1-yl-but-2-ynyl)-imidazol...)
Show SMILES CN1CCN(CC#CCN2CCCC2)C1=O
Show InChI InChI=1S/C12H19N3O/c1-13-10-11-15(12(13)16)9-5-4-8-14-6-2-3-7-14/h2-3,6-11H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
180n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL




J Med Chem 34: 2314-27 (1991)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50004733
PNG
(1-Methyl-3-(4-pyrrolidin-1-yl-but-2-ynyl)-imidazol...)
Show SMILES CN1CCN(CC#CCN2CCCC2)C1=O
Show InChI InChI=1S/C12H19N3O/c1-13-10-11-15(12(13)16)9-5-4-8-14-6-2-3-7-14/h2-3,6-11H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
1.60E+3n/an/an/an/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Muscarinic acetylcholine receptor M3 agonistic/antagonistic activity in guinea pig ileum


J Med Chem 35: 3270-9 (1992)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50004733
PNG
(1-Methyl-3-(4-pyrrolidin-1-yl-but-2-ynyl)-imidazol...)
Show SMILES CN1CCN(CC#CCN2CCCC2)C1=O
Show InChI InChI=1S/C12H19N3O/c1-13-10-11-15(12(13)16)9-5-4-8-14-6-2-3-7-14/h2-3,6-11H2,1H3
MMDB

Reactome pathway
KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/an/a 2.90E+3n/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Inhibition of Shh signaling in mouse Shh-light2 cells by Gli-dependent firefly luciferase reporter gene assay


J Med Chem 35: 3270-9 (1992)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50004733
PNG
(1-Methyl-3-(4-pyrrolidin-1-yl-but-2-ynyl)-imidazol...)
Show SMILES CN1CCN(CC#CCN2CCCC2)C1=O
Show InChI InChI=1S/C12H19N3O/c1-13-10-11-15(12(13)16)9-5-4-8-14-6-2-3-7-14/h2-3,6-11H2,1H3
MMDB

Reactome pathway
KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/an/an/a 100n/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Muscarinic acetylcholine receptor M3 agonistic/antagonistic activity in guinea pig ileum


J Med Chem 35: 3270-9 (1992)

More data for this
Ligand-Target Pair