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3 similar compounds to monomer 50004736

Compile data set for download or QSAR
Wt: 223.3
BDBM50004725
Wt: 209.2
BDBM50004728
Wt: 195.2
BDBM50004732

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50004725,50004728,50004732   
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)
BDBM50004728
PNG
(1-Methyl-1-(1-methyl-4-pyrrolidin-1-yl-but-2-ynyl)...)
Show SMILES CC(C#CCN1CCCC1)N(C)C(N)=O
Show InChI InChI=1/C11H19N3O/c1-10(13(2)11(12)15)6-5-9-14-7-3-4-8-14/h10H,3-4,7-9H2,1-2H3,(H2,12,15)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
420n/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


(RAT)
BDBM50004725
PNG
(1,3-Dimethyl-1-(1-methyl-4-pyrrolidin-1-yl-but-2-y...)
Show SMILES CNC(=O)N(C)C(C)C#CCN1CCCC1
Show InChI InChI=1/C12H21N3O/c1-11(14(3)12(16)13-2)7-6-10-15-8-4-5-9-15/h11H,4-5,8-10H2,1-3H3,(H,13,16)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.20E+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)


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


(RAT)
BDBM50004732
PNG
(1-Methyl-1-(4-pyrrolidin-1-yl-but-2-ynyl)-urea | C...)
Show SMILES CN(CC#CCN1CCCC1)C(N)=O
Show InChI InChI=1S/C10H17N3O/c1-12(10(11)14)6-2-3-7-13-8-4-5-9-13/h4-9H2,1H3,(H2,11,14)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.07E+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)
BDBM50004732
PNG
(1-Methyl-1-(4-pyrrolidin-1-yl-but-2-ynyl)-urea | C...)
Show SMILES CN(CC#CCN1CCCC1)C(N)=O
Show InChI InChI=1S/C10H17N3O/c1-12(10(11)14)6-2-3-7-13-8-4-5-9-13/h4-9H2,1H3,(H2,11,14)
MMDB

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KEGG

UniProtKB/TrEMBL

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UniChem

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Article
PubMed
n/an/an/an/a 4.49E+4n/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)
BDBM50004728
PNG
(1-Methyl-1-(1-methyl-4-pyrrolidin-1-yl-but-2-ynyl)...)
Show SMILES CC(C#CCN1CCCC1)N(C)C(N)=O
Show InChI InChI=1/C11H19N3O/c1-10(13(2)11(12)15)6-5-9-14-7-3-4-8-14/h10H,3-4,7-9H2,1-2H3,(H2,12,15)
MMDB

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KEGG

UniProtKB/TrEMBL

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UniChem

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Article
PubMed
n/an/an/an/a 0n/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)
BDBM50004725
PNG
(1,3-Dimethyl-1-(1-methyl-4-pyrrolidin-1-yl-but-2-y...)
Show SMILES CNC(=O)N(C)C(C)C#CCN1CCCC1
Show InChI InChI=1/C12H21N3O/c1-11(14(3)12(16)13-2)7-6-10-15-8-4-5-9-15/h11H,4-5,8-10H2,1-3H3,(H,13,16)
MMDB

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KEGG

UniProtKB/TrEMBL

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PC sid
UniChem

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Article
PubMed
n/an/an/a 7.50E+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)


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


(Cavia porcellus)
BDBM50004732
PNG
(1-Methyl-1-(4-pyrrolidin-1-yl-but-2-ynyl)-urea | C...)
Show SMILES CN(CC#CCN1CCCC1)C(N)=O
Show InChI InChI=1S/C10H17N3O/c1-12(10(11)14)6-2-3-7-13-8-4-5-9-13/h4-9H2,1H3,(H2,11,14)
MMDB

Reactome pathway
KEGG

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UniChem

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Article
PubMed
n/an/an/a 4.90E+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
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50004725
PNG
(1,3-Dimethyl-1-(1-methyl-4-pyrrolidin-1-yl-but-2-y...)
Show SMILES CNC(=O)N(C)C(C)C#CCN1CCCC1
Show InChI InChI=1/C12H21N3O/c1-11(14(3)12(16)13-2)7-6-10-15-8-4-5-9-15/h11H,4-5,8-10H2,1-3H3,(H,13,16)
MMDB

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Article
PubMed
n/an/an/an/a 2.11E+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)
BDBM50004728
PNG
(1-Methyl-1-(1-methyl-4-pyrrolidin-1-yl-but-2-ynyl)...)
Show SMILES CC(C#CCN1CCCC1)N(C)C(N)=O
Show InChI InChI=1/C11H19N3O/c1-10(13(2)11(12)15)6-5-9-14-7-3-4-8-14/h10H,3-4,7-9H2,1-2H3,(H2,12,15)
MMDB

Reactome pathway
KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 710n/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)


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