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BDBM50005493 CHEMBL12858::N-((5-Ethylsulfanylmethyl-furan-2-ylmethyl)-dimethyl-amine)l-N-[1-(((5-Ethylsulfanylmethyl-furan-2-ylmethyl)-dimethyl-amine)amino)-2-cynovinyl]amine

SMILES: [#6]-[#7](-[#6])-[#6]-c1ccc(-[#6]-[#16]-[#6]-[#6]-[#7]\[#6](-[#7]-[#6]-[#6]-[#16]-[#6]-c2ccc(-[#6]-[#7](-[#6])-[#6])o2)=[#7]/C#N)o1

InChI Key: InChIKey=LPWXASFIPNYFQP-UHFFFAOYSA-N

Data: 4 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50005493   
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


(Mus musculus)
BDBM50005493
PNG
(CHEMBL12858 | N-((5-Ethylsulfanylmethyl-furan-2-yl...)
Show SMILES [#6]-[#7](-[#6])-[#6]-c1ccc(-[#6]-[#16]-[#6]-[#6]-[#7]\[#6](-[#7]-[#6]-[#6]-[#16]-[#6]-c2ccc(-[#6]-[#7](-[#6])-[#6])o2)=[#7]/C#N)o1
Show InChI InChI=1S/C22H34N6O2S2/c1-27(2)13-18-5-7-20(29-18)15-31-11-9-24-22(26-17-23)25-10-12-32-16-21-8-6-19(30-21)14-28(3)4/h5-8H,9-16H2,1-4H3,(H2,24,25,26)
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n/an/a 660n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Compound was evaluated for the competitive inhibition of [3H]pirenzepine binding to Muscarinic acetylcholine receptor M1 of mouse cerebral cortex


J Med Chem 35: 1102-8 (1992)


BindingDB Entry DOI: 10.7270/Q28K79QR
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50005493
PNG
(CHEMBL12858 | N-((5-Ethylsulfanylmethyl-furan-2-yl...)
Show SMILES [#6]-[#7](-[#6])-[#6]-c1ccc(-[#6]-[#16]-[#6]-[#6]-[#7]\[#6](-[#7]-[#6]-[#6]-[#16]-[#6]-c2ccc(-[#6]-[#7](-[#6])-[#6])o2)=[#7]/C#N)o1
Show InChI InChI=1S/C22H34N6O2S2/c1-27(2)13-18-5-7-20(29-18)15-31-11-9-24-22(26-17-23)25-10-12-32-16-21-8-6-19(30-21)14-28(3)4/h5-8H,9-16H2,1-4H3,(H2,24,25,26)
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n/an/a 2.40E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
The compound was evaluated for the inhibition human of Butyrylcholinesterase I


J Med Chem 35: 1102-8 (1992)


BindingDB Entry DOI: 10.7270/Q28K79QR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50005493
PNG
(CHEMBL12858 | N-((5-Ethylsulfanylmethyl-furan-2-yl...)
Show SMILES [#6]-[#7](-[#6])-[#6]-c1ccc(-[#6]-[#16]-[#6]-[#6]-[#7]\[#6](-[#7]-[#6]-[#6]-[#16]-[#6]-c2ccc(-[#6]-[#7](-[#6])-[#6])o2)=[#7]/C#N)o1
Show InChI InChI=1S/C22H34N6O2S2/c1-27(2)13-18-5-7-20(29-18)15-31-11-9-24-22(26-17-23)25-10-12-32-16-21-8-6-19(30-21)14-28(3)4/h5-8H,9-16H2,1-4H3,(H2,24,25,26)
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n/an/a 470n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Compound was evaluated for the competitive inhibition of [3H]methylscopolamine binding to Muscarinic acetylcholine receptor M2 of mouse cerebral cort...


J Med Chem 35: 1102-8 (1992)


BindingDB Entry DOI: 10.7270/Q28K79QR
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50005493
PNG
(CHEMBL12858 | N-((5-Ethylsulfanylmethyl-furan-2-yl...)
Show SMILES [#6]-[#7](-[#6])-[#6]-c1ccc(-[#6]-[#16]-[#6]-[#6]-[#7]\[#6](-[#7]-[#6]-[#6]-[#16]-[#6]-c2ccc(-[#6]-[#7](-[#6])-[#6])o2)=[#7]/C#N)o1
Show InChI InChI=1S/C22H34N6O2S2/c1-27(2)13-18-5-7-20(29-18)15-31-11-9-24-22(26-17-23)25-10-12-32-16-21-8-6-19(30-21)14-28(3)4/h5-8H,9-16H2,1-4H3,(H2,24,25,26)
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n/an/a 290n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of human acetylcholinesterase-I


J Med Chem 35: 1102-8 (1992)


BindingDB Entry DOI: 10.7270/Q28K79QR
More data for this
Ligand-Target Pair