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3 similar compounds to monomer 50006243

Compile data set for download or QSAR
Wt: 174.2
BDBM50006248
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Wt: 206.2
BDBM50260485
Wt: 174.2
BDBM50336544
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50006248,50260485,50336544   
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 M2


(RAT)
BDBM50006248
PNG
((4-Hydroxy-5-methyl-tetrahydro-furan-2-ylmethyl)-t...)
Show SMILES C[C@H]1O[C@@H](C[N+](C)(C)C)C[C@@H]1O
Show InChI InChI=1S/C9H20NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-9,11H,5-6H2,1-4H3/q+1/t7-,8-,9+/m1/s1
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Article
PubMed
1.04E+5n/an/an/an/an/an/an/an/a



Istituto Chimico-Farmaceutico dell'Università

Curated by ChEMBL


Assay Description
Binding affinity of the compound against muscarinic acetylcholine receptor M3 of rat sabmandibular glands


J Med Chem 35: 1915-20 (1992)


Article DOI: 10.1021/jm00088a029
BindingDB Entry DOI: 10.7270/Q2ZS2VF5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50006248
PNG
((4-Hydroxy-5-methyl-tetrahydro-furan-2-ylmethyl)-t...)
Show SMILES C[C@H]1O[C@@H](C[N+](C)(C)C)C[C@@H]1O
Show InChI InChI=1S/C9H20NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-9,11H,5-6H2,1-4H3/q+1/t7-,8-,9+/m1/s1
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2.20E+5n/an/an/an/an/an/an/an/a



Istituto Chimico-Farmaceutico dell'Università

Curated by ChEMBL


Assay Description
Binding affinity of the compound against muscarinic acetylcholine receptor M1 of rat cerebral cortex.


J Med Chem 35: 1915-20 (1992)


Article DOI: 10.1021/jm00088a029
BindingDB Entry DOI: 10.7270/Q2ZS2VF5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50006248
PNG
((4-Hydroxy-5-methyl-tetrahydro-furan-2-ylmethyl)-t...)
Show SMILES C[C@H]1O[C@@H](C[N+](C)(C)C)C[C@@H]1O
Show InChI InChI=1S/C9H20NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-9,11H,5-6H2,1-4H3/q+1/t7-,8-,9+/m1/s1
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2.52E+5n/an/an/an/an/an/an/an/a



Istituto Chimico-Farmaceutico dell'Università

Curated by ChEMBL


Assay Description
Binding affinity of the compound against muscarinic acetylcholine receptor M2 of rat heart.


J Med Chem 35: 1915-20 (1992)


Article DOI: 10.1021/jm00088a029
BindingDB Entry DOI: 10.7270/Q2ZS2VF5
More data for this
Ligand-Target Pair
IAG-nucleoside hydrolase


(Trypanosoma vivax)
BDBM50260485
PNG
(2,5-Anhydro-1-deoxy-1-(trimethylammonio)-D-allitol...)
Show SMILES C[N+](C)(C)C[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1/C9H20NO4/c1-10(2,3)4-6-8(12)9(13)7(5-11)14-6/h6-9,11-13H,4-5H2,1-3H3/q+1/t6-,7+,8-,9+/s2
PDB
MMDB

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1.28E+6n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma vivax IAG-nucleoside hydrolase expressed in Escherichia coli WK6


Eur J Med Chem 43: 315-26 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.027
BindingDB Entry DOI: 10.7270/Q28P61FH
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50336544
PNG
((+)-Muscarine chloride | CHEMBL1255785 | muscarine...)
Show SMILES C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O
Show InChI InChI=1/C9H20NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-9,11H,5-6H2,1-4H3/q+1/t7-,8-,9+/s2
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n/an/an/an/a 1.30E+3n/an/an/an/a



University of Wuerzburg

Curated by ChEMBL


Assay Description
Activation of M5-ACh receptor-FLASH/CFP expressed in HEK293 cells assessed as FRET signal


Bioorg Med Chem 19: 1048-54 (2011)


Article DOI: 10.1016/j.bmc.2010.07.060
BindingDB Entry DOI: 10.7270/Q2SF2WFK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50336544
PNG
((+)-Muscarine chloride | CHEMBL1255785 | muscarine...)
Show SMILES C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O
Show InChI InChI=1/C9H20NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-9,11H,5-6H2,1-4H3/q+1/t7-,8-,9+/s2
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n/an/an/an/a 1.00E+3n/an/an/an/a



University of Wuerzburg

Curated by ChEMBL


Assay Description
Activation of M3-ACh receptor-FLASH/CFP expressed in HEK293 cells assessed as FRET signal


Bioorg Med Chem 19: 1048-54 (2011)


Article DOI: 10.1016/j.bmc.2010.07.060
BindingDB Entry DOI: 10.7270/Q2SF2WFK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50336544
PNG
((+)-Muscarine chloride | CHEMBL1255785 | muscarine...)
Show SMILES C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O
Show InChI InChI=1/C9H20NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-9,11H,5-6H2,1-4H3/q+1/t7-,8-,9+/s2
UniProtKB/SwissProt

GoogleScholar
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CHEMBL
KEGG
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 5.30E+3n/an/an/an/a



University of Wuerzburg

Curated by ChEMBL


Assay Description
Activation of M1-ACh receptor-FLASH/CFP expressed in HEK293 cells assessed as FRET signal


Bioorg Med Chem 19: 1048-54 (2011)


Article DOI: 10.1016/j.bmc.2010.07.060
BindingDB Entry DOI: 10.7270/Q2SF2WFK
More data for this
Ligand-Target Pair