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BDBM50004735 1-(4-Pyrrolidin-1-yl-but-2-ynyl)-imidazolidin-2-one::CHEMBL76385

SMILES: O=C1NCCN1CC#CCN1CCCC1

InChI Key: InChIKey=NNQOKFWDPAVGRK-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 = 50004735   
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)
BDBM50004735
PNG
(1-(4-Pyrrolidin-1-yl-but-2-ynyl)-imidazolidin-2-on...)
Show SMILES O=C1NCCN1CC#CCN1CCCC1
Show InChI InChI=1S/C11H17N3O/c15-11-12-5-10-14(11)9-4-3-8-13-6-1-2-7-13/h1-2,5-10H2,(H,12,15)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
13n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL




J Med Chem 34: 2314-27 (1991)


BindingDB Entry DOI: 10.7270/Q2057J5V
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50004735
PNG
(1-(4-Pyrrolidin-1-yl-but-2-ynyl)-imidazolidin-2-on...)
Show SMILES O=C1NCCN1CC#CCN1CCCC1
Show InChI InChI=1S/C11H17N3O/c15-11-12-5-10-14(11)9-4-3-8-13-6-1-2-7-13/h1-2,5-10H2,(H,12,15)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
800n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL




J Med Chem 34: 2314-27 (1991)


BindingDB Entry DOI: 10.7270/Q2057J5V
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50004735
PNG
(1-(4-Pyrrolidin-1-yl-but-2-ynyl)-imidazolidin-2-on...)
Show SMILES O=C1NCCN1CC#CCN1CCCC1
Show InChI InChI=1S/C11H17N3O/c15-11-12-5-10-14(11)9-4-3-8-13-6-1-2-7-13/h1-2,5-10H2,(H,12,15)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
6.50E+3n/an/an/an/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Dissociation constant for complex with muscarinic acetylcholine receptor M3 of guinea pig ileum


J Med Chem 35: 3270-9 (1992)


BindingDB Entry DOI: 10.7270/Q2KP813K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50004735
PNG
(1-(4-Pyrrolidin-1-yl-but-2-ynyl)-imidazolidin-2-on...)
Show SMILES O=C1NCCN1CC#CCN1CCCC1
Show InChI InChI=1S/C11H17N3O/c15-11-12-5-10-14(11)9-4-3-8-13-6-1-2-7-13/h1-2,5-10H2,(H,12,15)
MMDB

Reactome pathway
KEGG

UniProtKB/TrEMBL

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

Patents

PubMed
n/an/an/an/a 2.67E+3n/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)


BindingDB Entry DOI: 10.7270/Q2KP813K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50004735
PNG
(1-(4-Pyrrolidin-1-yl-but-2-ynyl)-imidazolidin-2-on...)
Show SMILES O=C1NCCN1CC#CCN1CCCC1
Show InChI InChI=1S/C11H17N3O/c15-11-12-5-10-14(11)9-4-3-8-13-6-1-2-7-13/h1-2,5-10H2,(H,12,15)
MMDB

Reactome pathway
KEGG

UniProtKB/TrEMBL

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

Patents

PubMed
n/an/an/a 3.03E+4n/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Dissociation constant for complex with muscarinic acetylcholine receptor M3 of guinea pig ileum


J Med Chem 35: 3270-9 (1992)


BindingDB Entry DOI: 10.7270/Q2KP813K
More data for this
Ligand-Target Pair