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BDBM50004736 1,3-Dimethyl-1-(4-pyrrolidin-1-yl-but-2-ynyl)-urea::CHEMBL321674

SMILES: CNC(=O)N(C)CC#CCN1CCCC1

InChI Key: InChIKey=TXMQVJDFFQKGSF-UHFFFAOYSA-N

Data: 1 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 3 hits for monomerid = 50004736   
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)
BDBM50004736
PNG
(1,3-Dimethyl-1-(4-pyrrolidin-1-yl-but-2-ynyl)-urea...)
Show SMILES CNC(=O)N(C)CC#CCN1CCCC1
Show InChI InChI=1S/C11H19N3O/c1-12-11(15)13(2)7-3-4-8-14-9-5-6-10-14/h5-10H2,1-2H3,(H,12,15)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.58E+4n/an/an/an/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)


Article DOI: 10.1021/jm00095a025
BindingDB Entry DOI: 10.7270/Q2KP813K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50004736
PNG
(1,3-Dimethyl-1-(4-pyrrolidin-1-yl-but-2-ynyl)-urea...)
Show SMILES CNC(=O)N(C)CC#CCN1CCCC1
Show InChI InChI=1S/C11H19N3O/c1-12-11(15)13(2)7-3-4-8-14-9-5-6-10-14/h5-10H2,1-2H3,(H,12,15)
MMDB

Reactome pathway
KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 2.16E+3n/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)


Article DOI: 10.1021/jm00095a025
BindingDB Entry DOI: 10.7270/Q2KP813K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50004736
PNG
(1,3-Dimethyl-1-(4-pyrrolidin-1-yl-but-2-ynyl)-urea...)
Show SMILES CNC(=O)N(C)CC#CCN1CCCC1
Show InChI InChI=1S/C11H19N3O/c1-12-11(15)13(2)7-3-4-8-14-9-5-6-10-14/h5-10H2,1-2H3,(H,12,15)
MMDB

Reactome pathway
KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 2.64E+4n/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)


Article DOI: 10.1021/jm00095a025
BindingDB Entry DOI: 10.7270/Q2KP813K
More data for this
Ligand-Target Pair