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PubMed code 1507203

Compile data set for download or QSAR
Found 96 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50403547
PNG
(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?
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0.350n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Ability of the compound to displace [3H]-methylscopolamine ([3H]-NMS) from mouse cerebral cortex


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50403547
PNG
(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?
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0.700n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Ability of the compound to displace [3H]-methylscopolamine ([3H]-NMS) from mouse cerebral cortex


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50004665
PNG
((oxotremorine)1-(4-Pyrrolidin-1-yl-but-2-ynyl)-pyr...)
Show SMILES O=C1CCCN1CC#CCN1CCCC1
Show InChI InChI=1S/C12H18N2O/c15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13/h1-2,5-11H2
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1.70n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Ability of the compound to displace [3H]-oxotremorine ([3H]-OXO-M) from mouse cerebral cortex


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50004656
PNG
((2-Carbamoyloxy-ethyl)-trimethyl-ammonium | (2-Car...)
Show SMILES C[N+](C)(C)CCOC(N)=O
Show InChI InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1
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8n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Ability of the compound to displace [3H]-oxotremorine ([3H]-OXO-M) from mouse cerebral cortex


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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220n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Ability of the compound to displace [3H]-oxotremorine ([3H]-OXO-M) from mouse cerebral cortex


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50004664
PNG
(CHEMBL107892 | N-[2-(5-Dimethylaminomethyl-furan-2...)
Show SMILES CN(C)Cc1ccc(CSCCNc2cc(N)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C16H21N5O5S/c1-19(2)9-11-3-4-12(26-11)10-27-6-5-18-14-7-13(17)15(20(22)23)8-16(14)21(24)25/h3-4,7-8,18H,5-6,9-10,17H2,1-2H3
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460n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Ability of the compound to displace [3H]-methylscopolamine ([3H]-NMS) from mouse cerebral cortex


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50004661
PNG
(CHEMBL316973 | [2-(5-Dimethylaminomethyl-furan-2-y...)
Show SMILES CN(C)Cc1ccc(CSCCNc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C16H20N4O5S/c1-18(2)10-13-4-5-14(25-13)11-26-8-7-17-15-6-3-12(19(21)22)9-16(15)20(23)24/h3-6,9,17H,7-8,10-11H2,1-2H3
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870n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Ability of the compound to displace [3H]-oxotremorine ([3H]-OXO-M) from mouse cerebral cortex


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50004652
PNG
(CHEMBL321605 | [2-(5-Dimethylaminomethyl-furan-2-y...)
Show SMILES CN(C)Cc1ccc(CSCCNc2cc(NN)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C16H22N6O5S/c1-20(2)9-11-3-4-12(27-11)10-28-6-5-18-13-7-14(19-17)16(22(25)26)8-15(13)21(23)24/h3-4,7-8,18-19H,5-6,9-10,17H2,1-2H3
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1.10E+3n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Ability of the compound to displace [3H]-oxotremorine ([3H]-OXO-M) from mouse cerebral cortex


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50004665
PNG
((oxotremorine)1-(4-Pyrrolidin-1-yl-but-2-ynyl)-pyr...)
Show SMILES O=C1CCCN1CC#CCN1CCCC1
Show InChI InChI=1S/C12H18N2O/c15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13/h1-2,5-11H2
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1.50E+3n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Ability of the compound to displace [3H]-methylscopolamine ([3H]-NMS) from mouse cerebral cortex


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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5.80E+3n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Binding affinity of the compound against mouse Muscarinic acetylcholine receptor M2 using heart tissue and [3H]-N-methylscopolamine


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50004664
PNG
(CHEMBL107892 | N-[2-(5-Dimethylaminomethyl-furan-2...)
Show SMILES CN(C)Cc1ccc(CSCCNc2cc(N)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C16H21N5O5S/c1-19(2)9-11-3-4-12(26-11)10-27-6-5-18-14-7-13(17)15(20(22)23)8-16(14)21(24)25/h3-4,7-8,18H,5-6,9-10,17H2,1-2H3
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9.50E+3n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Ability of the compound to displace [3H]-methylscopolamine ([3H]-NMS) from mouse cerebral cortex


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50004661
PNG
(CHEMBL316973 | [2-(5-Dimethylaminomethyl-furan-2-y...)
Show SMILES CN(C)Cc1ccc(CSCCNc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C16H20N4O5S/c1-18(2)10-13-4-5-14(25-13)11-26-8-7-17-15-6-3-12(19(21)22)9-16(15)20(23)24/h3-6,9,17H,7-8,10-11H2,1-2H3
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1.20E+4n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Ability of the compound to displace [3H]-oxotremorine ([3H]-OXO-M) from mouse cerebral cortex


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50004652
PNG
(CHEMBL321605 | [2-(5-Dimethylaminomethyl-furan-2-y...)
Show SMILES CN(C)Cc1ccc(CSCCNc2cc(NN)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C16H22N6O5S/c1-20(2)9-11-3-4-12(27-11)10-28-6-5-18-13-7-14(19-17)16(22(25)26)8-15(13)21(23)24/h3-4,7-8,18-19H,5-6,9-10,17H2,1-2H3
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1.20E+4n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Ability of the compound to displace [3H]-methylscopolamine ([3H]-NMS) from mouse cerebral cortex


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50004656
PNG
((2-Carbamoyloxy-ethyl)-trimethyl-ammonium | (2-Car...)
Show SMILES C[N+](C)(C)CCOC(N)=O
Show InChI InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1
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6.60E+4n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Ability of the compound to displace [3H]-oxotremorine ([3H]-OXO-M) from mouse cerebral cortex


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 23n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
In vitro Butyrylcholinesterase inhibitory activity of the compound to determine its ability to reverse the cholinergic deficit characteristic of AD


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cholinesterase


(Homo sapiens (human))
BDBM50004000
PNG
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1
Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1
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n/an/a 35n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
In vitro inhibition of human butryl cholinesterase.


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50004000
PNG
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1
Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1
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n/an/a 43n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
In vitro inhibition of human acetylcholinesterase.


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50004652
PNG
(CHEMBL321605 | [2-(5-Dimethylaminomethyl-furan-2-y...)
Show SMILES CN(C)Cc1ccc(CSCCNc2cc(NN)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C16H22N6O5S/c1-20(2)9-11-3-4-12(27-11)10-28-6-5-18-13-7-14(19-17)16(22(25)26)8-15(13)21(23)24/h3-4,7-8,18-19H,5-6,9-10,17H2,1-2H3
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n/an/a 76n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
In vitro inhibition of human acetylcholinesterase.


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50004664
PNG
(CHEMBL107892 | N-[2-(5-Dimethylaminomethyl-furan-2...)
Show SMILES CN(C)Cc1ccc(CSCCNc2cc(N)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C16H21N5O5S/c1-19(2)9-11-3-4-12(26-11)10-27-6-5-18-14-7-13(17)15(20(22)23)8-16(14)21(24)25/h3-4,7-8,18H,5-6,9-10,17H2,1-2H3
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n/an/a 83n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
In vitro inhibition of human acetylcholinesterase.


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50004657
PNG
(CHEMBL104681 | [2-(5-Dimethylaminomethyl-furan-2-y...)
Show SMILES CN(C)Cc1ccc(CSCCNc2cc(F)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C16H19FN4O5S/c1-19(2)9-11-3-4-12(26-11)10-27-6-5-18-14-7-13(17)15(20(22)23)8-16(14)21(24)25/h3-4,7-8,18H,5-6,9-10H2,1-2H3
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n/an/a 120n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
In vitro inhibition of human acetylcholinesterase.


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50004667
PNG
(CHEMBL320291 | N-[2-(5-Dimethylaminomethyl-furan-2...)
Show SMILES CNc1cc(NCCSCc2ccc(CN(C)C)o2)c(cc1[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C17H23N5O5S/c1-18-14-8-15(17(22(25)26)9-16(14)21(23)24)19-6-7-28-11-13-5-4-12(27-13)10-20(2)3/h4-5,8-9,18-19H,6-7,10-11H2,1-3H3
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n/an/a 160n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
In vitro inhibition of human acetylcholinesterase.


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 180n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
In vitro acetyl cholinesterase(AChE-I) inhibitory activity, ability to reverse the cholinergic deficit characteristic of AD


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50004661
PNG
(CHEMBL316973 | [2-(5-Dimethylaminomethyl-furan-2-y...)
Show SMILES CN(C)Cc1ccc(CSCCNc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C16H20N4O5S/c1-18(2)10-13-4-5-14(25-13)11-26-8-7-17-15-6-3-12(19(21)22)9-16(15)20(23)24/h3-6,9,17H,7-8,10-11H2,1-2H3
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n/an/a 200n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
In vitro inhibition of human acetylcholinesterase.


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50004669
PNG
(CHEMBL106782 | N-[2-(5-Dimethylaminomethyl-furan-2...)
Show SMILES CCCNc1cc(NCCSCc2ccc(CN(C)C)o2)c(cc1[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C19H27N5O5S/c1-4-7-20-16-10-17(19(24(27)28)11-18(16)23(25)26)21-8-9-30-13-15-6-5-14(29-15)12-22(2)3/h5-6,10-11,20-21H,4,7-9,12-13H2,1-3H3
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n/an/a 260n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
In vitro inhibition of human acetylcholinesterase.


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50004668
PNG
(CHEMBL327135 | [2-(5-Dimethylaminomethyl-furan-2-y...)
Show SMILES CN(C)Cc1ccc(CSCCNc2cc(Oc3ccc(cc3)[N+]([O-])=O)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C22H23N5O8S/c1-24(2)13-17-7-8-18(34-17)14-36-10-9-23-19-11-22(21(27(32)33)12-20(19)26(30)31)35-16-5-3-15(4-6-16)25(28)29/h3-8,11-12,23H,9-10,13-14H2,1-2H3
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n/an/a 270n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
In vitro inhibition of human acetylcholinesterase.


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50004674
PNG
(CHEMBL318517 | N-[2-(5-Dimethylaminomethyl-furan-2...)
Show SMILES CN(C)Cc1ccc(CSCCNc2cc(NCCCN3CCOCC3)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C23H34N6O6S/c1-26(2)16-18-4-5-19(35-18)17-36-13-7-25-21-14-20(22(28(30)31)15-23(21)29(32)33)24-6-3-8-27-9-11-34-12-10-27/h4-5,14-15,24-25H,3,6-13,16-17H2,1-2H3
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n/an/a 300n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-N-methylscopolamine to rat muscarinic acetylcholine receptor M2 from heart tissue


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50004660
PNG
(CHEMBL107673 | N-[2-(5-Dimethylaminomethyl-furan-2...)
Show SMILES CN(C)Cc1ccc(CSCCNc2cc(NCc3cccnc3)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C22H26N6O5S/c1-26(2)14-17-5-6-18(33-17)15-34-9-8-24-19-10-20(25-13-16-4-3-7-23-12-16)22(28(31)32)11-21(19)27(29)30/h3-7,10-12,24-25H,8-9,13-15H2,1-2H3
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n/an/a 310n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
In vitro inhibition of human acetylcholinesterase.


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50004674
PNG
(CHEMBL318517 | N-[2-(5-Dimethylaminomethyl-furan-2...)
Show SMILES CN(C)Cc1ccc(CSCCNc2cc(NCCCN3CCOCC3)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C23H34N6O6S/c1-26(2)16-18-4-5-19(35-18)17-36-13-7-25-21-14-20(22(28(30)31)15-23(21)29(32)33)24-6-3-8-27-9-11-34-12-10-27/h4-5,14-15,24-25H,3,6-13,16-17H2,1-2H3
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n/an/a 370n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
In vitro inhibition of human acetylcholinesterase.


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50004660
PNG
(CHEMBL107673 | N-[2-(5-Dimethylaminomethyl-furan-2...)
Show SMILES CN(C)Cc1ccc(CSCCNc2cc(NCc3cccnc3)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C22H26N6O5S/c1-26(2)14-17-5-6-18(33-17)15-34-9-8-24-19-10-20(25-13-16-4-3-7-23-12-16)22(28(31)32)11-21(19)27(29)30/h3-7,10-12,24-25H,8-9,13-15H2,1-2H3
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n/an/a 380n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pirenzepine binding to mouse muscarinic acetylcholine receptor M1 from cerebral cortex


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50004653
PNG
(CHEMBL106348 | N-(2-Dimethylamino-ethyl)-N'-[2-(5-...)
Show SMILES CN(C)CCNc1cc(NCCSCc2ccc(CN(C)C)o2)c(cc1[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C20H30N6O5S/c1-23(2)9-7-21-17-11-18(20(26(29)30)12-19(17)25(27)28)22-8-10-32-14-16-6-5-15(31-16)13-24(3)4/h5-6,11-12,21-22H,7-10,13-14H2,1-4H3
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n/an/a 380n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-N-methylscopolamine to rat muscarinic acetylcholine receptor M2 from heart tissue


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50004660
PNG
(CHEMBL107673 | N-[2-(5-Dimethylaminomethyl-furan-2...)
Show SMILES CN(C)Cc1ccc(CSCCNc2cc(NCc3cccnc3)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C22H26N6O5S/c1-26(2)14-17-5-6-18(33-17)15-34-9-8-24-19-10-20(25-13-16-4-3-7-23-12-16)22(28(31)32)11-21(19)27(29)30/h3-7,10-12,24-25H,8-9,13-15H2,1-2H3
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n/an/a 400n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-N-methylscopolamine to rat muscarinic acetylcholine receptor M2 from heart tissue


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50004667
PNG
(CHEMBL320291 | N-[2-(5-Dimethylaminomethyl-furan-2...)
Show SMILES CNc1cc(NCCSCc2ccc(CN(C)C)o2)c(cc1[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C17H23N5O5S/c1-18-14-8-15(17(22(25)26)9-16(14)21(23)24)19-6-7-28-11-13-5-4-12(27-13)10-20(2)3/h4-5,8-9,18-19H,6-7,10-11H2,1-3H3
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n/an/a 430n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pirenzepine binding to mouse muscarinic acetylcholine receptor M1 from cerebral cortex


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50004666
PNG
(CHEMBL106932 | [2-(5-Dimethylaminomethyl-furan-2-y...)
Show SMILES C[C-](C)\N=[NH+]\c1cc(NCCSCc2ccc(CN(C)C)o2)c(cc1[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C19H25N6O5S/c1-13(2)21-22-17-9-16(18(24(26)27)10-19(17)25(28)29)20-7-8-31-12-15-6-5-14(30-15)11-23(3)4/h5-6,9-10,20H,7-8,11-12H2,1-4H3/q-1/p+1/b22-21+
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n/an/a 440n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
In vitro inhibition of human acetylcholinesterase.


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50004659
PNG
(CHEMBL321808 | [2-(5-Dimethylaminomethyl-furan-2-y...)
Show SMILES CN(C)Cc1ccc(CSCCNc2nnccc2[N+]([O-])=O)o1
Show InChI InChI=1S/C14H19N5O3S/c1-18(2)9-11-3-4-12(22-11)10-23-8-7-15-14-13(19(20)21)5-6-16-17-14/h3-6H,7-10H2,1-2H3,(H,15,17)
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n/an/a 470n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
In vitro acetyl cholinesterase(AChE-I) inhibitory activity of the compound to determine its ability to reverse the cholinergic deficit characteristic...


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50004653
PNG
(CHEMBL106348 | N-(2-Dimethylamino-ethyl)-N'-[2-(5-...)
Show SMILES CN(C)CCNc1cc(NCCSCc2ccc(CN(C)C)o2)c(cc1[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C20H30N6O5S/c1-23(2)9-7-21-17-11-18(20(26(29)30)12-19(17)25(27)28)22-8-10-32-14-16-6-5-15(31-16)13-24(3)4/h5-6,11-12,21-22H,7-10,13-14H2,1-4H3
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n/an/a 520n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
In vitro inhibition of human acetylcholinesterase.


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50004674
PNG
(CHEMBL318517 | N-[2-(5-Dimethylaminomethyl-furan-2...)
Show SMILES CN(C)Cc1ccc(CSCCNc2cc(NCCCN3CCOCC3)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C23H34N6O6S/c1-26(2)16-18-4-5-19(35-18)17-36-13-7-25-21-14-20(22(28(30)31)15-23(21)29(32)33)24-6-3-8-27-9-11-34-12-10-27/h4-5,14-15,24-25H,3,6-13,16-17H2,1-2H3
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n/an/a 530n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pirenzepine binding to mouse muscarinic acetylcholine receptor M1 from cerebral cortex


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50004659
PNG
(CHEMBL321808 | [2-(5-Dimethylaminomethyl-furan-2-y...)
Show SMILES CN(C)Cc1ccc(CSCCNc2nnccc2[N+]([O-])=O)o1
Show InChI InChI=1S/C14H19N5O3S/c1-18(2)9-11-3-4-12(22-11)10-23-8-7-15-14-13(19(20)21)5-6-16-17-14/h3-6H,7-10H2,1-2H3,(H,15,17)
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n/an/a 600n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Binding affinity of the compound against mouse Muscarinic acetylcholine receptor M2 using heart tissue and [3H]-N-methylscopolamine


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50004658
PNG
(2-{5-[2-(5-Dimethylaminomethyl-furan-2-ylmethylsul...)
Show SMILES CN(C)Cc1ccc(CSCCNc2cc(Nc3ccccc3C#N)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C23H24N6O5S/c1-27(2)14-17-7-8-18(34-17)15-35-10-9-25-20-11-21(23(29(32)33)12-22(20)28(30)31)26-19-6-4-3-5-16(19)13-24/h3-8,11-12,25-26H,9-10,14-15H2,1-2H3
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n/an/a 630n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
In vitro inhibition of human acetylcholinesterase.


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50004662
PNG
(CHEMBL108163 | N-[2-(5-Dimethylaminomethyl-furan-2...)
Show SMILES CN(C)Cc1ccc(CSCCNc2cc(Nc3ccccc3)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C22H25N5O5S/c1-25(2)14-17-8-9-18(32-17)15-33-11-10-23-19-12-20(24-16-6-4-3-5-7-16)22(27(30)31)13-21(19)26(28)29/h3-9,12-13,23-24H,10-11,14-15H2,1-2H3
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n/an/a 640n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
In vitro inhibition of human acetylcholinesterase.


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50004672
PNG
(CHEMBL104334 | N-[2-(5-Dimethylaminomethyl-furan-2...)
Show SMILES CN(C)Cc1ccc(CSCCNc2cc(Nc3ncccc3[N+]([O-])=O)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C21H23N7O7S/c1-25(2)12-14-5-6-15(35-14)13-36-9-8-22-16-10-17(20(28(33)34)11-19(16)27(31)32)24-21-18(26(29)30)4-3-7-23-21/h3-7,10-11,22H,8-9,12-13H2,1-2H3,(H,23,24)
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n/an/a 650n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
In vitro inhibition of human acetylcholinesterase.


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50004673
PNG
(CHEMBL104355 | [2-(5-Dimethylaminomethyl-furan-2-y...)
Show SMILES CN(C)Cc1ccc(CSCCNc2ccc(F)cc2[N+]([O-])=O)o1
Show InChI InChI=1S/C16H20FN3O3S/c1-19(2)10-13-4-5-14(23-13)11-24-8-7-18-15-6-3-12(17)9-16(15)20(21)22/h3-6,9,18H,7-8,10-11H2,1-2H3
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n/an/a 650n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
In vitro inhibition of human acetylcholinesterase.


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50004653
PNG
(CHEMBL106348 | N-(2-Dimethylamino-ethyl)-N'-[2-(5-...)
Show SMILES CN(C)CCNc1cc(NCCSCc2ccc(CN(C)C)o2)c(cc1[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C20H30N6O5S/c1-23(2)9-7-21-17-11-18(20(26(29)30)12-19(17)25(27)28)22-8-10-32-14-16-6-5-15(31-16)13-24(3)4/h5-6,11-12,21-22H,7-10,13-14H2,1-4H3
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n/an/a 670n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pirenzepine binding to mouse muscarinic acetylcholine receptor M1 from cerebral cortex


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50004663
PNG
(CHEMBL107254 | N-[2-(5-Dimethylaminomethyl-furan-2...)
Show SMILES CN(C)Cc1ccc(CSCCNc2cc(Nc3ccc(F)cc3)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C22H24FN5O5S/c1-26(2)13-17-7-8-18(33-17)14-34-10-9-24-19-11-20(25-16-5-3-15(23)4-6-16)22(28(31)32)12-21(19)27(29)30/h3-8,11-12,24-25H,9-10,13-14H2,1-2H3
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n/an/a 680n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
In vitro inhibition of human acetylcholinesterase.


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50004670
PNG
(CHEMBL106936 | N-Benzyl-N'-[2-(5-dimethylaminometh...)
Show SMILES CN(C)Cc1ccc(CSCCNc2cc(NCc3ccccc3)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C23H27N5O5S/c1-26(2)15-18-8-9-19(33-18)16-34-11-10-24-20-12-21(25-14-17-6-4-3-5-7-17)23(28(31)32)13-22(20)27(29)30/h3-9,12-13,24-25H,10-11,14-16H2,1-2H3
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n/an/a 690n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
In vitro inhibition of human acetylcholinesterase.


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50004659
PNG
(CHEMBL321808 | [2-(5-Dimethylaminomethyl-furan-2-y...)
Show SMILES CN(C)Cc1ccc(CSCCNc2nnccc2[N+]([O-])=O)o1
Show InChI InChI=1S/C14H19N5O3S/c1-18(2)9-11-3-4-12(22-11)10-23-8-7-15-14-13(19(20)21)5-6-16-17-14/h3-6H,7-10H2,1-2H3,(H,15,17)
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n/an/a 970n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Binding affinity of the compound against mouse Muscarinic acetylcholine receptor M1 using cerebral cortex and [3H]-pirenzepine


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50004663
PNG
(CHEMBL107254 | N-[2-(5-Dimethylaminomethyl-furan-2...)
Show SMILES CN(C)Cc1ccc(CSCCNc2cc(Nc3ccc(F)cc3)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C22H24FN5O5S/c1-26(2)13-17-7-8-18(33-17)14-34-10-9-24-19-11-20(25-16-5-3-15(23)4-6-16)22(28(31)32)12-21(19)27(29)30/h3-8,11-12,24-25H,9-10,13-14H2,1-2H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
In vitro inhibition of human butryl cholinesterase.


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50004668
PNG
(CHEMBL327135 | [2-(5-Dimethylaminomethyl-furan-2-y...)
Show SMILES CN(C)Cc1ccc(CSCCNc2cc(Oc3ccc(cc3)[N+]([O-])=O)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C22H23N5O8S/c1-24(2)13-17-7-8-18(34-17)14-36-10-9-23-19-11-22(21(27(32)33)12-20(19)26(30)31)35-16-5-3-15(4-6-16)25(28)29/h3-8,11-12,23H,9-10,13-14H2,1-2H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
In vitro inhibition of human butryl cholinesterase.


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50004671
PNG
(CHEMBL106418 | N-[2-(5-Dimethylaminomethyl-furan-2...)
Show SMILES CCCCCNc1cc(NCCSCc2ccc(CN(C)C)o2)c(cc1[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C21H31N5O5S/c1-4-5-6-9-22-18-12-19(21(26(29)30)13-20(18)25(27)28)23-10-11-32-15-17-8-7-16(31-17)14-24(2)3/h7-8,12-13,22-23H,4-6,9-11,14-15H2,1-3H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
In vitro inhibition of human acetylcholinesterase.


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50004654
PNG
(CHEMBL106344 | N-[2-(5-Dimethylaminomethyl-furan-2...)
Show SMILES CN(C)Cc1ccc(CSCCNc2cc(NCc3ccccn3)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C22H26N6O5S/c1-26(2)14-17-6-7-18(33-17)15-34-10-9-24-19-11-20(25-13-16-5-3-4-8-23-16)22(28(31)32)12-21(19)27(29)30/h3-8,11-12,24-25H,9-10,13-15H2,1-2H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
In vitro inhibition of human acetylcholinesterase.


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50004670
PNG
(CHEMBL106936 | N-Benzyl-N'-[2-(5-dimethylaminometh...)
Show SMILES CN(C)Cc1ccc(CSCCNc2cc(NCc3ccccc3)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C23H27N5O5S/c1-26(2)15-18-8-9-19(33-18)16-34-11-10-24-20-12-21(25-14-17-6-4-3-5-7-17)23(28(31)32)13-22(20)27(29)30/h3-9,12-13,24-25H,10-11,14-16H2,1-2H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
In vitro inhibition of human butryl cholinesterase.


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50004661
PNG
(CHEMBL316973 | [2-(5-Dimethylaminomethyl-furan-2-y...)
Show SMILES CN(C)Cc1ccc(CSCCNc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C16H20N4O5S/c1-18(2)10-13-4-5-14(25-13)11-26-8-7-17-15-6-3-12(19(21)22)9-16(15)20(23)24/h3-6,9,17H,7-8,10-11H2,1-2H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Binding affinity of the compound against mouse muscarinic acetylcholine receptor M1 using cerebral cortex and [3H]-pirenzepine


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50004653
PNG
(CHEMBL106348 | N-(2-Dimethylamino-ethyl)-N'-[2-(5-...)
Show SMILES CN(C)CCNc1cc(NCCSCc2ccc(CN(C)C)o2)c(cc1[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C20H30N6O5S/c1-23(2)9-7-21-17-11-18(20(26(29)30)12-19(17)25(27)28)22-8-10-32-14-16-6-5-15(31-16)13-24(3)4/h5-6,11-12,21-22H,7-10,13-14H2,1-4H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
In vitro inhibition of human butryl cholinesterase.


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50004654
PNG
(CHEMBL106344 | N-[2-(5-Dimethylaminomethyl-furan-2...)
Show SMILES CN(C)Cc1ccc(CSCCNc2cc(NCc3ccccn3)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C22H26N6O5S/c1-26(2)14-17-6-7-18(33-17)15-34-10-9-24-19-11-20(25-13-16-5-3-4-8-23-16)22(28(31)32)12-21(19)27(29)30/h3-8,11-12,24-25H,9-10,13-15H2,1-2H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pirenzepine binding to mouse muscarinic acetylcholine receptor M1 from cerebral cortex


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50004662
PNG
(CHEMBL108163 | N-[2-(5-Dimethylaminomethyl-furan-2...)
Show SMILES CN(C)Cc1ccc(CSCCNc2cc(Nc3ccccc3)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C22H25N5O5S/c1-25(2)14-17-8-9-18(32-17)15-33-11-10-23-19-12-20(24-16-6-4-3-5-7-16)22(27(30)31)13-21(19)26(28)29/h3-9,12-13,23-24H,10-11,14-15H2,1-2H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
In vitro inhibition of human butryl cholinesterase.


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50004657
PNG
(CHEMBL104681 | [2-(5-Dimethylaminomethyl-furan-2-y...)
Show SMILES CN(C)Cc1ccc(CSCCNc2cc(F)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C16H19FN4O5S/c1-19(2)9-11-3-4-12(26-11)10-27-6-5-18-14-7-13(17)15(20(22)23)8-16(14)21(24)25/h3-4,7-8,18H,5-6,9-10H2,1-2H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pirenzepine binding to mouse muscarinic acetylcholine receptor M1 from cerebral cortex


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50004658
PNG
(2-{5-[2-(5-Dimethylaminomethyl-furan-2-ylmethylsul...)
Show SMILES CN(C)Cc1ccc(CSCCNc2cc(Nc3ccccc3C#N)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C23H24N6O5S/c1-27(2)14-17-7-8-18(34-17)15-35-10-9-25-20-11-21(23(29(32)33)12-22(20)28(30)31)26-19-6-4-3-5-16(19)13-24/h3-8,11-12,25-26H,9-10,14-15H2,1-2H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
In vitro inhibition of human butryl cholinesterase.


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50004661
PNG
(CHEMBL316973 | [2-(5-Dimethylaminomethyl-furan-2-y...)
Show SMILES CN(C)Cc1ccc(CSCCNc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C16H20N4O5S/c1-18(2)10-13-4-5-14(25-13)11-26-8-7-17-15-6-3-12(19(21)22)9-16(15)20(23)24/h3-6,9,17H,7-8,10-11H2,1-2H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
In vitro inhibition of human butryl cholinesterase.


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50004670
PNG
(CHEMBL106936 | N-Benzyl-N'-[2-(5-dimethylaminometh...)
Show SMILES CN(C)Cc1ccc(CSCCNc2cc(NCc3ccccc3)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C23H27N5O5S/c1-26(2)15-18-8-9-19(33-18)16-34-11-10-24-20-12-21(25-14-17-6-4-3-5-7-17)23(28(31)32)13-22(20)27(29)30/h3-9,12-13,24-25H,10-11,14-16H2,1-2H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pirenzepine binding to mouse muscarinic acetylcholine receptor M1 from cerebral cortex


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Binding affinity of the compound against mouse Muscarinic acetylcholine receptor M1 using cerebral cortex and [3H]-pirenzepine


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50004663
PNG
(CHEMBL107254 | N-[2-(5-Dimethylaminomethyl-furan-2...)
Show SMILES CN(C)Cc1ccc(CSCCNc2cc(Nc3ccc(F)cc3)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C22H24FN5O5S/c1-26(2)13-17-7-8-18(33-17)14-34-10-9-24-19-11-20(25-16-5-3-15(23)4-6-16)22(28(31)32)12-21(19)27(29)30/h3-8,11-12,24-25H,9-10,13-14H2,1-2H3
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n/an/a 2.10E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pirenzepine binding to mouse muscarinic acetylcholine receptor M1 from cerebral cortex


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 2.10E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Binding affinity of the compound against mouse M2 muscarinic receptor using heart tissue and [3H]-N-methylscopolamine


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50004675
PNG
(2-[2-(5-Dimethylaminomethyl-furan-2-ylmethylsulfan...)
Show SMILES CN(C)Cc1ccc(CSCCNc2cccc(F)c2C#N)o1
Show InChI InChI=1S/C17H20FN3OS/c1-21(2)11-13-6-7-14(22-13)12-23-9-8-20-17-5-3-4-16(18)15(17)10-19/h3-7,20H,8-9,11-12H2,1-2H3
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n/an/a 2.10E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
In vitro acetyl cholinesterase(AChE-I) inhibitory activity of the compound to determine its ability to reverse the cholinergic deficit characteristic...


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50004673
PNG
(CHEMBL104355 | [2-(5-Dimethylaminomethyl-furan-2-y...)
Show SMILES CN(C)Cc1ccc(CSCCNc2ccc(F)cc2[N+]([O-])=O)o1
Show InChI InChI=1S/C16H20FN3O3S/c1-19(2)10-13-4-5-14(23-13)11-24-8-7-18-15-6-3-12(17)9-16(15)20(21)22/h3-6,9,18H,7-8,10-11H2,1-2H3
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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
Inhibition of [3H]-N-methylscopolamine to rat muscarinic acetylcholine receptor M2 from heart tissue


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50004664
PNG
(CHEMBL107892 | N-[2-(5-Dimethylaminomethyl-furan-2...)
Show SMILES CN(C)Cc1ccc(CSCCNc2cc(N)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C16H21N5O5S/c1-19(2)9-11-3-4-12(26-11)10-27-6-5-18-14-7-13(17)15(20(22)23)8-16(14)21(24)25/h3-4,7-8,18H,5-6,9-10,17H2,1-2H3
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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
In vitro inhibition of human butryl cholinesterase.


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50004654
PNG
(CHEMBL106344 | N-[2-(5-Dimethylaminomethyl-furan-2...)
Show SMILES CN(C)Cc1ccc(CSCCNc2cc(NCc3ccccn3)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C22H26N6O5S/c1-26(2)14-17-6-7-18(33-17)15-34-10-9-24-19-11-20(25-13-16-5-3-4-8-23-16)22(28(31)32)12-21(19)27(29)30/h3-8,11-12,24-25H,9-10,13-15H2,1-2H3
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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
Inhibition of [3H]-N-methylscopolamine to rat muscarinic acetylcholine receptor M2 from heart tissue


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50004667
PNG
(CHEMBL320291 | N-[2-(5-Dimethylaminomethyl-furan-2...)
Show SMILES CNc1cc(NCCSCc2ccc(CN(C)C)o2)c(cc1[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C17H23N5O5S/c1-18-14-8-15(17(22(25)26)9-16(14)21(23)24)19-6-7-28-11-13-5-4-12(27-13)10-20(2)3/h4-5,8-9,18-19H,6-7,10-11H2,1-3H3
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n/an/a 3.10E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Binding affinity of the compound against rat muscarinic acetylcholine receptor M2 using heart tissue and [3H]-N-methylscopolamine


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50004666
PNG
(CHEMBL106932 | [2-(5-Dimethylaminomethyl-furan-2-y...)
Show SMILES C[C-](C)\N=[NH+]\c1cc(NCCSCc2ccc(CN(C)C)o2)c(cc1[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C19H25N6O5S/c1-13(2)21-22-17-9-16(18(24(26)27)10-19(17)25(28)29)20-7-8-31-12-15-6-5-14(30-15)11-23(3)4/h5-6,9-10,20H,7-8,11-12H2,1-4H3/q-1/p+1/b22-21+
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n/an/a 3.10E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pirenzepine binding to mouse muscarinic acetylcholine receptor M1 from cerebral cortex


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50004669
PNG
(CHEMBL106782 | N-[2-(5-Dimethylaminomethyl-furan-2...)
Show SMILES CCCNc1cc(NCCSCc2ccc(CN(C)C)o2)c(cc1[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C19H27N5O5S/c1-4-7-20-16-10-17(19(24(27)28)11-18(16)23(25)26)21-8-9-30-13-15-6-5-14(29-15)12-22(2)3/h5-6,10-11,20-21H,4,7-9,12-13H2,1-3H3
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n/an/a 3.20E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pirenzepine binding to mouse muscarinic acetylcholine receptor M1 from cerebral cortex


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50004670
PNG
(CHEMBL106936 | N-Benzyl-N'-[2-(5-dimethylaminometh...)
Show SMILES CN(C)Cc1ccc(CSCCNc2cc(NCc3ccccc3)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C23H27N5O5S/c1-26(2)15-18-8-9-19(33-18)16-34-11-10-24-20-12-21(25-14-17-6-4-3-5-7-17)23(28(31)32)13-22(20)27(29)30/h3-9,12-13,24-25H,10-11,14-16H2,1-2H3
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n/an/a 3.30E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-N-methylscopolamine to rat muscarinic acetylcholine receptor M2 from heart tissue


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50004658
PNG
(2-{5-[2-(5-Dimethylaminomethyl-furan-2-ylmethylsul...)
Show SMILES CN(C)Cc1ccc(CSCCNc2cc(Nc3ccccc3C#N)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C23H24N6O5S/c1-27(2)14-17-7-8-18(34-17)15-35-10-9-25-20-11-21(23(29(32)33)12-22(20)28(30)31)26-19-6-4-3-5-16(19)13-24/h3-8,11-12,25-26H,9-10,14-15H2,1-2H3
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n/an/a 3.30E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pirenzepine binding to mouse muscarinic acetylcholine receptor M1 from cerebral cortex


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50004667
PNG
(CHEMBL320291 | N-[2-(5-Dimethylaminomethyl-furan-2...)
Show SMILES CNc1cc(NCCSCc2ccc(CN(C)C)o2)c(cc1[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C17H23N5O5S/c1-18-14-8-15(17(22(25)26)9-16(14)21(23)24)19-6-7-28-11-13-5-4-12(27-13)10-20(2)3/h4-5,8-9,18-19H,6-7,10-11H2,1-3H3
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n/an/a 3.30E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
In vitro inhibition of human butryl cholinesterase.


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50004673
PNG
(CHEMBL104355 | [2-(5-Dimethylaminomethyl-furan-2-y...)
Show SMILES CN(C)Cc1ccc(CSCCNc2ccc(F)cc2[N+]([O-])=O)o1
Show InChI InChI=1S/C16H20FN3O3S/c1-19(2)10-13-4-5-14(23-13)11-24-8-7-18-15-6-3-12(17)9-16(15)20(21)22/h3-6,9,18H,7-8,10-11H2,1-2H3
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n/an/a 3.30E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
In vitro inhibition of human butryl cholinesterase.


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50004666
PNG
(CHEMBL106932 | [2-(5-Dimethylaminomethyl-furan-2-y...)
Show SMILES C[C-](C)\N=[NH+]\c1cc(NCCSCc2ccc(CN(C)C)o2)c(cc1[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C19H25N6O5S/c1-13(2)21-22-17-9-16(18(24(26)27)10-19(17)25(28)29)20-7-8-31-12-15-6-5-14(30-15)11-23(3)4/h5-6,9-10,20H,7-8,11-12H2,1-4H3/q-1/p+1/b22-21+
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n/an/a 3.50E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-N-methylscopolamine to rat muscarinic acetylcholine receptor M2 from heart tissue


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50004669
PNG
(CHEMBL106782 | N-[2-(5-Dimethylaminomethyl-furan-2...)
Show SMILES CCCNc1cc(NCCSCc2ccc(CN(C)C)o2)c(cc1[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C19H27N5O5S/c1-4-7-20-16-10-17(19(24(27)28)11-18(16)23(25)26)21-8-9-30-13-15-6-5-14(29-15)12-22(2)3/h5-6,10-11,20-21H,4,7-9,12-13H2,1-3H3
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n/an/a 3.50E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Binding affinity of the compound against rat muscarinic acetylcholine receptor M2 using heart tissue and [3H]-N-methylscopolamine


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50004658
PNG
(2-{5-[2-(5-Dimethylaminomethyl-furan-2-ylmethylsul...)
Show SMILES CN(C)Cc1ccc(CSCCNc2cc(Nc3ccccc3C#N)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C23H24N6O5S/c1-27(2)14-17-7-8-18(34-17)15-35-10-9-25-20-11-21(23(29(32)33)12-22(20)28(30)31)26-19-6-4-3-5-16(19)13-24/h3-8,11-12,25-26H,9-10,14-15H2,1-2H3
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n/an/a 3.70E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-N-methylscopolamine to rat muscarinic acetylcholine receptor M2 from heart tissue


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50004669
PNG
(CHEMBL106782 | N-[2-(5-Dimethylaminomethyl-furan-2...)
Show SMILES CCCNc1cc(NCCSCc2ccc(CN(C)C)o2)c(cc1[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C19H27N5O5S/c1-4-7-20-16-10-17(19(24(27)28)11-18(16)23(25)26)21-8-9-30-13-15-6-5-14(29-15)12-22(2)3/h5-6,10-11,20-21H,4,7-9,12-13H2,1-3H3
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n/an/a 3.80E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
In vitro inhibition of human butryl cholinesterase.


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50004657
PNG
(CHEMBL104681 | [2-(5-Dimethylaminomethyl-furan-2-y...)
Show SMILES CN(C)Cc1ccc(CSCCNc2cc(F)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C16H19FN4O5S/c1-19(2)9-11-3-4-12(26-11)10-27-6-5-18-14-7-13(17)15(20(22)23)8-16(14)21(24)25/h3-4,7-8,18H,5-6,9-10H2,1-2H3
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n/an/a 3.80E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
In vitro inhibition of human butryl cholinesterase.


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50004652
PNG
(CHEMBL321605 | [2-(5-Dimethylaminomethyl-furan-2-y...)
Show SMILES CN(C)Cc1ccc(CSCCNc2cc(NN)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C16H22N6O5S/c1-20(2)9-11-3-4-12(27-11)10-28-6-5-18-13-7-14(19-17)16(22(25)26)8-15(13)21(23)24/h3-4,7-8,18-19H,5-6,9-10,17H2,1-2H3
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n/an/a 3.80E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pirenzepine binding to mouse muscarinic acetylcholine receptor M1 from cerebral cortex


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50004664
PNG
(CHEMBL107892 | N-[2-(5-Dimethylaminomethyl-furan-2...)
Show SMILES CN(C)Cc1ccc(CSCCNc2cc(N)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C16H21N5O5S/c1-19(2)9-11-3-4-12(26-11)10-27-6-5-18-14-7-13(17)15(20(22)23)8-16(14)21(24)25/h3-4,7-8,18H,5-6,9-10,17H2,1-2H3
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n/an/a 3.80E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pirenzepine binding to mouse muscarinic acetylcholine receptor M1 from cerebral cortex


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50004673
PNG
(CHEMBL104355 | [2-(5-Dimethylaminomethyl-furan-2-y...)
Show SMILES CN(C)Cc1ccc(CSCCNc2ccc(F)cc2[N+]([O-])=O)o1
Show InChI InChI=1S/C16H20FN3O3S/c1-19(2)10-13-4-5-14(23-13)11-24-8-7-18-15-6-3-12(17)9-16(15)20(21)22/h3-6,9,18H,7-8,10-11H2,1-2H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pirenzepine binding to mouse muscarinic acetylcholine receptor M1 from cerebral cortex


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50004663
PNG
(CHEMBL107254 | N-[2-(5-Dimethylaminomethyl-furan-2...)
Show SMILES CN(C)Cc1ccc(CSCCNc2cc(Nc3ccc(F)cc3)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C22H24FN5O5S/c1-26(2)13-17-7-8-18(33-17)14-34-10-9-24-19-11-20(25-16-5-3-15(23)4-6-16)22(28(31)32)12-21(19)27(29)30/h3-8,11-12,24-25H,9-10,13-14H2,1-2H3
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n/an/a 4.40E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-N-methylscopolamine to rat muscarinic acetylcholine receptor M2 from heart tissue


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50004652
PNG
(CHEMBL321605 | [2-(5-Dimethylaminomethyl-furan-2-y...)
Show SMILES CN(C)Cc1ccc(CSCCNc2cc(NN)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C16H22N6O5S/c1-20(2)9-11-3-4-12(27-11)10-28-6-5-18-13-7-14(19-17)16(22(25)26)8-15(13)21(23)24/h3-4,7-8,18-19H,5-6,9-10,17H2,1-2H3
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n/an/a 4.70E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-N-methylscopolamine to rat muscarinic acetylcholine receptor M2 from heart tissue


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50004674
PNG
(CHEMBL318517 | N-[2-(5-Dimethylaminomethyl-furan-2...)
Show SMILES CN(C)Cc1ccc(CSCCNc2cc(NCCCN3CCOCC3)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C23H34N6O6S/c1-26(2)16-18-4-5-19(35-18)17-36-13-7-25-21-14-20(22(28(30)31)15-23(21)29(32)33)24-6-3-8-27-9-11-34-12-10-27/h4-5,14-15,24-25H,3,6-13,16-17H2,1-2H3
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n/an/a 4.70E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
In vitro inhibition of human butryl cholinesterase.


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50004652
PNG
(CHEMBL321605 | [2-(5-Dimethylaminomethyl-furan-2-y...)
Show SMILES CN(C)Cc1ccc(CSCCNc2cc(NN)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C16H22N6O5S/c1-20(2)9-11-3-4-12(27-11)10-28-6-5-18-13-7-14(19-17)16(22(25)26)8-15(13)21(23)24/h3-4,7-8,18-19H,5-6,9-10,17H2,1-2H3
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n/an/a 5.10E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
In vitro inhibition of human butryl cholinesterase.


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50004654
PNG
(CHEMBL106344 | N-[2-(5-Dimethylaminomethyl-furan-2...)
Show SMILES CN(C)Cc1ccc(CSCCNc2cc(NCc3ccccn3)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C22H26N6O5S/c1-26(2)14-17-6-7-18(33-17)15-34-10-9-24-19-11-20(25-13-16-5-3-4-8-23-16)22(28(31)32)12-21(19)27(29)30/h3-8,11-12,24-25H,9-10,13-15H2,1-2H3
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n/an/a 5.20E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
In vitro inhibition of human butryl cholinesterase.


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50004661
PNG
(CHEMBL316973 | [2-(5-Dimethylaminomethyl-furan-2-y...)
Show SMILES CN(C)Cc1ccc(CSCCNc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C16H20N4O5S/c1-18(2)10-13-4-5-14(25-13)11-26-8-7-17-15-6-3-12(19(21)22)9-16(15)20(23)24/h3-6,9,17H,7-8,10-11H2,1-2H3
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n/an/a 5.70E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-N-methylscopolamine to rat muscarinic acetylcholine receptor M2 from heart tissue


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50004660
PNG
(CHEMBL107673 | N-[2-(5-Dimethylaminomethyl-furan-2...)
Show SMILES CN(C)Cc1ccc(CSCCNc2cc(NCc3cccnc3)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C22H26N6O5S/c1-26(2)14-17-5-6-18(33-17)15-34-9-8-24-19-10-20(25-13-16-4-3-7-23-12-16)22(28(31)32)11-21(19)27(29)30/h3-7,10-12,24-25H,8-9,13-15H2,1-2H3
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n/an/a 6.10E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
In vitro inhibition of human butryl cholinesterase.


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50004662
PNG
(CHEMBL108163 | N-[2-(5-Dimethylaminomethyl-furan-2...)
Show SMILES CN(C)Cc1ccc(CSCCNc2cc(Nc3ccccc3)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C22H25N5O5S/c1-25(2)14-17-8-9-18(32-17)15-33-11-10-23-19-12-20(24-16-6-4-3-5-7-16)22(27(30)31)13-21(19)26(28)29/h3-9,12-13,23-24H,10-11,14-15H2,1-2H3
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n/an/a 6.40E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pirenzepine binding to mouse muscarinic acetylcholine receptor M1 from cerebral cortex


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50004662
PNG
(CHEMBL108163 | N-[2-(5-Dimethylaminomethyl-furan-2...)
Show SMILES CN(C)Cc1ccc(CSCCNc2cc(Nc3ccccc3)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C22H25N5O5S/c1-25(2)14-17-8-9-18(32-17)15-33-11-10-23-19-12-20(24-16-6-4-3-5-7-16)22(27(30)31)13-21(19)26(28)29/h3-9,12-13,23-24H,10-11,14-15H2,1-2H3
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n/an/a 6.40E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-N-methylscopolamine to rat muscarinic acetylcholine receptor M2 from heart tissue


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50004664
PNG
(CHEMBL107892 | N-[2-(5-Dimethylaminomethyl-furan-2...)
Show SMILES CN(C)Cc1ccc(CSCCNc2cc(N)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C16H21N5O5S/c1-19(2)9-11-3-4-12(26-11)10-27-6-5-18-14-7-13(17)15(20(22)23)8-16(14)21(24)25/h3-4,7-8,18H,5-6,9-10,17H2,1-2H3
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n/an/a 6.80E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Binding affinity of the compound against rat muscarinic acetylcholine receptor M2 using heart tissue and [3H]-N-methylscopolamine


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50004657
PNG
(CHEMBL104681 | [2-(5-Dimethylaminomethyl-furan-2-y...)
Show SMILES CN(C)Cc1ccc(CSCCNc2cc(F)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C16H19FN4O5S/c1-19(2)9-11-3-4-12(26-11)10-27-6-5-18-14-7-13(17)15(20(22)23)8-16(14)21(24)25/h3-4,7-8,18H,5-6,9-10H2,1-2H3
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n/an/a 7.00E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-N-methylscopolamine to rat muscarinic acetylcholine receptor M2 from heart tissue


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50004666
PNG
(CHEMBL106932 | [2-(5-Dimethylaminomethyl-furan-2-y...)
Show SMILES C[C-](C)\N=[NH+]\c1cc(NCCSCc2ccc(CN(C)C)o2)c(cc1[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C19H25N6O5S/c1-13(2)21-22-17-9-16(18(24(26)27)10-19(17)25(28)29)20-7-8-31-12-15-6-5-14(30-15)11-23(3)4/h5-6,9-10,20H,7-8,11-12H2,1-4H3/q-1/p+1/b22-21+
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n/an/a 8.40E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
In vitro inhibition of human butryl cholinesterase.


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50004659
PNG
(CHEMBL321808 | [2-(5-Dimethylaminomethyl-furan-2-y...)
Show SMILES CN(C)Cc1ccc(CSCCNc2nnccc2[N+]([O-])=O)o1
Show InChI InChI=1S/C14H19N5O3S/c1-18(2)9-11-3-4-12(22-11)10-23-8-7-15-14-13(19(20)21)5-6-16-17-14/h3-6H,7-10H2,1-2H3,(H,15,17)
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
In vitro Butyrylcholinesterase inhibitory activity of the compound to determine its ability to reverse the cholinergic deficit characteristic of AD


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50004672
PNG
(CHEMBL104334 | N-[2-(5-Dimethylaminomethyl-furan-2...)
Show SMILES CN(C)Cc1ccc(CSCCNc2cc(Nc3ncccc3[N+]([O-])=O)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C21H23N7O7S/c1-25(2)12-14-5-6-15(35-14)13-36-9-8-22-16-10-17(20(28(33)34)11-19(16)27(31)32)24-21-18(26(29)30)4-3-7-23-21/h3-7,10-11,22H,8-9,12-13H2,1-2H3,(H,23,24)
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n/an/a 1.80E+4n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
In vitro inhibition of human butryl cholinesterase.


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50004000
PNG
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1
Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1
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n/an/a 3.70E+4n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Binding affinity of the compound against mouse muscarinic acetylcholine receptor M1 using cerebral cortex and [3H]-pirenzepine


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50004000
PNG
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1
Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1
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n/an/a 1.60E+5n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-N-methylscopolamine to rat muscarinic acetylcholine receptor M2 from heart tissue


J Med Chem 35: 3141-7 (1992)


Article DOI: 10.1021/jm00095a008
BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%