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PubMed code 1552502

Compile data set for download or QSAR
Found 74 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
Acetylcholinesterase


(Mus musculus (mouse))
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
Compound was evaluated for the binding affinity by displacing [3H]oxotremorine from mouse cerebral cortex tissue.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
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
Compound was evaluated for the binding affinity by displacing [3H]methylscopolamine [3H]NMS from mouse cerebral cortex tissue.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
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
Compound was evaluated for the binding affinity by displacing [3H]oxotremorine from mouse cerebral cortex tissue.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
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
Compound was evaluated for the binding affinity by displacing [3H]oxotremorine from mouse cerebral cortex tissue.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
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
Compound was evaluated for the binding affinity by displacing [3H]oxotremorine from mouse cerebral cortex tissue.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
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
Compound was evaluated for the binding affinity by displacing [3H]oxotremorine from mouse cerebral cortex tissue.


Citation and Details
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
The compound was evaluated for the inhibition human of Butyrylcholinesterase I


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cholinesterase


(Homo sapiens (human))
BDBM50005500
PNG
(CHEMBL13122 | N,N'-Bis-[2-(5-dimethylaminomethyl-f...)
Show SMILES CN(C)Cc1ccc(CSCCNc2cc(NCCSCc3ccc(CN(C)C)o3)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C26H36N6O6S2/c1-29(2)15-19-5-7-21(37-19)17-39-11-9-27-23-13-24(26(32(35)36)14-25(23)31(33)34)28-10-12-40-18-22-8-6-20(38-22)16-30(3)4/h5-8,13-14,27-28H,9-12,15-18H2,1-4H3
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n/an/a 25n/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


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50005500
PNG
(CHEMBL13122 | N,N'-Bis-[2-(5-dimethylaminomethyl-f...)
Show SMILES CN(C)Cc1ccc(CSCCNc2cc(NCCSCc3ccc(CN(C)C)o3)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C26H36N6O6S2/c1-29(2)15-19-5-7-21(37-19)17-39-11-9-27-23-13-24(26(32(35)36)14-25(23)31(33)34)28-10-12-40-18-22-8-6-20(38-22)16-30(3)4/h5-8,13-14,27-28H,9-12,15-18H2,1-4H3
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n/an/a 28n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
The compound was evaluated for the inhibition of human Acetylcholinesterase


Citation and Details
More data for this
Ligand-Target Pair
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
The compound was evaluated for the inhibition human of Butyrylcholinesterase


Citation and Details
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
The compound was evaluated for the inhibition of human Acetylcholinesterase


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50005504
PNG
(CHEMBL13206 | N-((5-Ethylsulfanylmethyl-furan-2-yl...)
Show SMILES CN(C)Cc1ccc(CSCCNCC(=NCCSCc2ccc(CN(C)C)o2)[N+]([O-])=O)o1
Show InChI InChI=1S/C22H35N5O4S2/c1-25(2)14-18-5-7-20(30-18)16-32-11-9-23-13-22(27(28)29)24-10-12-33-17-21-8-6-19(31-21)15-26(3)4/h5-8,23H,9-17H2,1-4H3
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n/an/a 74n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
The compound was evaluated for the inhibition of human Acetylcholinesterase


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50005498
PNG
(CHEMBL12781 | {5-[4'-(5-Dimethylaminomethyl-furan-...)
Show SMILES CN(C)Cc1ccc(CSCc2ccc(cc2)-c2ccc(CSCc3ccc(CN(C)C)o3)cc2)o1
Show InChI InChI=1S/C30H36N2O2S2/c1-31(2)17-27-13-15-29(33-27)21-35-19-23-5-9-25(10-6-23)26-11-7-24(8-12-26)20-36-22-30-16-14-28(34-30)18-32(3)4/h5-16H,17-22H2,1-4H3
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n/an/a 180n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of human acetylcholinesterase-I


Citation and Details
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
Inhibition of human acetylcholinesterase-I


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50005497
PNG
(CHEMBL12937 | {5-[4-(5-Dimethylaminomethyl-furan-2...)
Show SMILES CN(C)Cc1ccc(CSCCCCSCc2ccc(CN(C)C)o2)o1
Show InChI InChI=1S/C20H32N2O2S2/c1-21(2)13-17-7-9-19(23-17)15-25-11-5-6-12-26-16-20-10-8-18(24-20)14-22(3)4/h7-10H,5-6,11-16H2,1-4H3
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n/an/a 210n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of human acetylcholinesterase-I


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50005502
PNG
(CHEMBL12472 | {5-[4-(5-Dimethylaminomethyl-furan-2...)
Show SMILES CN(C)Cc1ccc(CSCc2ccc(CSCc3ccc(CN(C)C)o3)cc2)o1
Show InChI InChI=1S/C24H32N2O2S2/c1-25(2)13-21-9-11-23(27-21)17-29-15-19-5-7-20(8-6-19)16-30-18-24-12-10-22(28-24)14-26(3)4/h5-12H,13-18H2,1-4H3
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n/an/a 260n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of human acetylcholinesterase-I


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50005493
PNG
(CHEMBL12858 | N-((5-Ethylsulfanylmethyl-furan-2-yl...)
Show SMILES CN(C)Cc1ccc(CSCCNC(NCCSCc2ccc(CN(C)C)o2)=NC#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


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50005494
PNG
(CHEMBL418714 | {5-[8-(5-Dimethylaminomethyl-furan-...)
Show SMILES CN(C)Cc1ccc(CSCCCCCCCCSCc2ccc(CN(C)C)o2)o1
Show InChI InChI=1S/C24H40N2O2S2/c1-25(2)17-21-11-13-23(27-21)19-29-15-9-7-5-6-8-10-16-30-20-24-14-12-22(28-24)18-26(3)4/h11-14H,5-10,15-20H2,1-4H3
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n/an/a 310n/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


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50005501
PNG
(CHEMBL275537 | {5-[3-(5-Dimethylaminomethyl-furan-...)
Show SMILES CN(C)Cc1ccc(CSCCCSCc2ccc(CN(C)C)o2)o1
Show InChI InChI=1S/C19H30N2O2S2/c1-20(2)12-16-6-8-18(22-16)14-24-10-5-11-25-15-19-9-7-17(23-19)13-21(3)4/h6-9H,5,10-15H2,1-4H3
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n/an/a 330n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of human acetylcholinesterase-I


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50005492
PNG
(CHEMBL418712 | {5-[9-(5-Dimethylaminomethyl-furan-...)
Show SMILES CN(C)Cc1ccc(CSCCCCCCCCCSCc2ccc(CN(C)C)o2)o1
Show InChI InChI=1S/C25H42N2O2S2/c1-26(2)18-22-12-14-24(28-22)20-30-16-10-8-6-5-7-9-11-17-31-21-25-15-13-23(29-25)19-27(3)4/h12-15H,5-11,16-21H2,1-4H3
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n/an/a 400n/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...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50005496
PNG
(CHEMBL13426 | {5-[7-(5-Dimethylaminomethyl-furan-2...)
Show SMILES CN(C)Cc1ccc(CSCCCCCCCSCc2ccc(CN(C)C)o2)o1
Show InChI InChI=1S/C23H38N2O2S2/c1-24(2)16-20-10-12-22(26-20)18-28-14-8-6-5-7-9-15-29-19-23-13-11-21(27-23)17-25(3)4/h10-13H,5-9,14-19H2,1-4H3
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n/an/a 410n/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


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50005492
PNG
(CHEMBL418712 | {5-[9-(5-Dimethylaminomethyl-furan-...)
Show SMILES CN(C)Cc1ccc(CSCCCCCCCCCSCc2ccc(CN(C)C)o2)o1
Show InChI InChI=1S/C25H42N2O2S2/c1-26(2)18-22-12-14-24(28-22)20-30-16-10-8-6-5-7-9-11-17-31-21-25-15-13-23(29-25)19-27(3)4/h12-15H,5-11,16-21H2,1-4H3
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n/an/a 460n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
The compound was evaluated for the inhibition of human Acetylcholinesterase


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50005493
PNG
(CHEMBL12858 | N-((5-Ethylsulfanylmethyl-furan-2-yl...)
Show SMILES CN(C)Cc1ccc(CSCCNC(NCCSCc2ccc(CN(C)C)o2)=NC#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...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50005494
PNG
(CHEMBL418714 | {5-[8-(5-Dimethylaminomethyl-furan-...)
Show SMILES CN(C)Cc1ccc(CSCCCCCCCCSCc2ccc(CN(C)C)o2)o1
Show InChI InChI=1S/C24H40N2O2S2/c1-25(2)17-21-11-13-23(27-21)19-29-15-9-7-5-6-8-10-16-30-20-24-14-12-22(28-24)18-26(3)4/h11-14H,5-10,15-20H2,1-4H3
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n/an/a 470n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
The compound was evaluated for the inhibition of human Acetylcholinesterase


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50005500
PNG
(CHEMBL13122 | N,N'-Bis-[2-(5-dimethylaminomethyl-f...)
Show SMILES CN(C)Cc1ccc(CSCCNc2cc(NCCSCc3ccc(CN(C)C)o3)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C26H36N6O6S2/c1-29(2)15-19-5-7-21(37-19)17-39-11-9-27-23-13-24(26(32(35)36)14-25(23)31(33)34)28-10-12-40-18-22-8-6-20(38-22)16-30(3)4/h5-8,13-14,27-28H,9-12,15-18H2,1-4H3
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n/an/a 490n/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


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50005503
PNG
(CHEMBL13308 | {5-[2-(5-Dimethylaminomethyl-furan-2...)
Show SMILES CN(C)Cc1ccc(CSCCSCc2ccc(CN(C)C)o2)o1
Show InChI InChI=1S/C18H28N2O2S2/c1-19(2)11-15-5-7-17(21-15)13-23-9-10-24-14-18-8-6-16(22-18)12-20(3)4/h5-8H,9-14H2,1-4H3
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n/an/a 500n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of human acetylcholinesterase-I


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50005504
PNG
(CHEMBL13206 | N-((5-Ethylsulfanylmethyl-furan-2-yl...)
Show SMILES CN(C)Cc1ccc(CSCCNCC(=NCCSCc2ccc(CN(C)C)o2)[N+]([O-])=O)o1
Show InChI InChI=1S/C22H35N5O4S2/c1-25(2)14-18-5-7-20(30-18)16-32-11-9-23-13-22(27(28)29)24-10-12-33-17-21-8-6-19(31-21)15-26(3)4/h5-8,23H,9-17H2,1-4H3
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n/an/a 500n/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...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50005495
PNG
(CHEMBL13166 | {5-[5-(5-Dimethylaminomethyl-furan-2...)
Show SMILES CN(C)Cc1ccc(CSCCCCCSCc2ccc(CN(C)C)o2)o1
Show InChI InChI=1S/C21H34N2O2S2/c1-22(2)14-18-8-10-20(24-18)16-26-12-6-5-7-13-27-17-21-11-9-19(25-21)15-23(3)4/h8-11H,5-7,12-17H2,1-4H3
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n/an/a 520n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50005509
PNG
(CHEMBL268499 | {5-[6-(5-Dimethylaminomethyl-furan-...)
Show SMILES CN(C)Cc1ccc(CSCCCCCCSCc2ccc(CN(C)C)o2)o1
Show InChI InChI=1S/C22H36N2O2S2/c1-23(2)15-19-9-11-21(25-19)17-27-13-7-5-6-8-14-28-18-22-12-10-20(26-22)16-24(3)4/h9-12H,5-8,13-18H2,1-4H3
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n/an/a 540n/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


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50005502
PNG
(CHEMBL12472 | {5-[4-(5-Dimethylaminomethyl-furan-2...)
Show SMILES CN(C)Cc1ccc(CSCc2ccc(CSCc3ccc(CN(C)C)o3)cc2)o1
Show InChI InChI=1S/C24H32N2O2S2/c1-25(2)13-21-9-11-23(27-21)17-29-15-19-5-7-20(8-6-19)16-30-18-24-12-10-22(28-24)14-26(3)4/h5-12H,13-18H2,1-4H3
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n/an/a 540n/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


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50005494
PNG
(CHEMBL418714 | {5-[8-(5-Dimethylaminomethyl-furan-...)
Show SMILES CN(C)Cc1ccc(CSCCCCCCCCSCc2ccc(CN(C)C)o2)o1
Show InChI InChI=1S/C24H40N2O2S2/c1-25(2)17-21-11-13-23(27-21)19-29-15-9-7-5-6-8-10-16-30-20-24-14-12-22(28-24)18-26(3)4/h11-14H,5-10,15-20H2,1-4H3
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n/an/a 540n/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...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50005502
PNG
(CHEMBL12472 | {5-[4-(5-Dimethylaminomethyl-furan-2...)
Show SMILES CN(C)Cc1ccc(CSCc2ccc(CSCc3ccc(CN(C)C)o3)cc2)o1
Show InChI InChI=1S/C24H32N2O2S2/c1-25(2)13-21-9-11-23(27-21)17-29-15-19-5-7-20(8-6-19)16-30-18-24-12-10-22(28-24)14-26(3)4/h5-12H,13-18H2,1-4H3
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n/an/a 550n/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...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50005492
PNG
(CHEMBL418712 | {5-[9-(5-Dimethylaminomethyl-furan-...)
Show SMILES CN(C)Cc1ccc(CSCCCCCCCCCSCc2ccc(CN(C)C)o2)o1
Show InChI InChI=1S/C25H42N2O2S2/c1-26(2)18-22-12-14-24(28-22)20-30-16-10-8-6-5-7-9-11-17-31-21-25-15-13-23(29-25)19-27(3)4/h12-15H,5-11,16-21H2,1-4H3
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n/an/a 560n/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


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50005509
PNG
(CHEMBL268499 | {5-[6-(5-Dimethylaminomethyl-furan-...)
Show SMILES CN(C)Cc1ccc(CSCCCCCCSCc2ccc(CN(C)C)o2)o1
Show InChI InChI=1S/C22H36N2O2S2/c1-23(2)15-19-9-11-21(25-19)17-27-13-7-5-6-8-14-28-18-22-12-10-20(26-22)16-24(3)4/h9-12H,5-8,13-18H2,1-4H3
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n/an/a 580n/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...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50005500
PNG
(CHEMBL13122 | N,N'-Bis-[2-(5-dimethylaminomethyl-f...)
Show SMILES CN(C)Cc1ccc(CSCCNc2cc(NCCSCc3ccc(CN(C)C)o3)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
Show InChI InChI=1S/C26H36N6O6S2/c1-29(2)15-19-5-7-21(37-19)17-39-11-9-27-23-13-24(26(32(35)36)14-25(23)31(33)34)28-10-12-40-18-22-8-6-20(38-22)16-30(3)4/h5-8,13-14,27-28H,9-12,15-18H2,1-4H3
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n/an/a 590n/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...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50005496
PNG
(CHEMBL13426 | {5-[7-(5-Dimethylaminomethyl-furan-2...)
Show SMILES CN(C)Cc1ccc(CSCCCCCCCSCc2ccc(CN(C)C)o2)o1
Show InChI InChI=1S/C23H38N2O2S2/c1-24(2)16-20-10-12-22(26-20)18-28-14-8-6-5-7-9-15-29-19-23-13-11-21(27-23)17-25(3)4/h10-13H,5-9,14-19H2,1-4H3
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n/an/a 610n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
The compound was evaluated for the inhibition of human Acetylcholinesterase


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50005497
PNG
(CHEMBL12937 | {5-[4-(5-Dimethylaminomethyl-furan-2...)
Show SMILES CN(C)Cc1ccc(CSCCCCSCc2ccc(CN(C)C)o2)o1
Show InChI InChI=1S/C20H32N2O2S2/c1-21(2)13-17-7-9-19(23-17)15-25-11-5-6-12-26-16-20-10-8-18(24-20)14-22(3)4/h7-10H,5-6,11-16H2,1-4H3
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n/an/a 630n/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


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50005493
PNG
(CHEMBL12858 | N-((5-Ethylsulfanylmethyl-furan-2-yl...)
Show SMILES CN(C)Cc1ccc(CSCCNC(NCCSCc2ccc(CN(C)C)o2)=NC#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


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50005498
PNG
(CHEMBL12781 | {5-[4'-(5-Dimethylaminomethyl-furan-...)
Show SMILES CN(C)Cc1ccc(CSCc2ccc(cc2)-c2ccc(CSCc3ccc(CN(C)C)o3)cc2)o1
Show InChI InChI=1S/C30H36N2O2S2/c1-31(2)17-27-13-15-29(33-27)21-35-19-23-5-9-25(10-6-23)26-11-7-24(8-12-26)20-36-22-30-16-14-28(34-30)18-32(3)4/h5-16H,17-22H2,1-4H3
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n/an/a 680n/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


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50005496
PNG
(CHEMBL13426 | {5-[7-(5-Dimethylaminomethyl-furan-2...)
Show SMILES CN(C)Cc1ccc(CSCCCCCCCSCc2ccc(CN(C)C)o2)o1
Show InChI InChI=1S/C23H38N2O2S2/c1-24(2)16-20-10-12-22(26-20)18-28-14-8-6-5-7-9-15-29-19-23-13-11-21(27-23)17-25(3)4/h10-13H,5-9,14-19H2,1-4H3
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n/an/a 710n/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...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50005509
PNG
(CHEMBL268499 | {5-[6-(5-Dimethylaminomethyl-furan-...)
Show SMILES CN(C)Cc1ccc(CSCCCCCCSCc2ccc(CN(C)C)o2)o1
Show InChI InChI=1S/C22H36N2O2S2/c1-23(2)15-19-9-11-21(25-19)17-27-13-7-5-6-8-14-28-18-22-12-10-20(26-22)16-24(3)4/h9-12H,5-8,13-18H2,1-4H3
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n/an/a 740n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of human acetylcholinesterase-I


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50005495
PNG
(CHEMBL13166 | {5-[5-(5-Dimethylaminomethyl-furan-2...)
Show SMILES CN(C)Cc1ccc(CSCCCCCSCc2ccc(CN(C)C)o2)o1
Show InChI InChI=1S/C21H34N2O2S2/c1-22(2)14-18-8-10-20(24-18)16-26-12-6-5-7-13-27-17-21-11-9-19(25-21)15-23(3)4/h8-11H,5-7,12-17H2,1-4H3
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n/an/a 810n/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


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50005495
PNG
(CHEMBL13166 | {5-[5-(5-Dimethylaminomethyl-furan-2...)
Show SMILES CN(C)Cc1ccc(CSCCCCCSCc2ccc(CN(C)C)o2)o1
Show InChI InChI=1S/C21H34N2O2S2/c1-22(2)14-18-8-10-20(24-18)16-26-12-6-5-7-13-27-17-21-11-9-19(25-21)15-23(3)4/h8-11H,5-7,12-17H2,1-4H3
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n/an/a 900n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of human acetylcholinesterase-I


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50005504
PNG
(CHEMBL13206 | N-((5-Ethylsulfanylmethyl-furan-2-yl...)
Show SMILES CN(C)Cc1ccc(CSCCNCC(=NCCSCc2ccc(CN(C)C)o2)[N+]([O-])=O)o1
Show InChI InChI=1S/C22H35N5O4S2/c1-25(2)14-18-5-7-20(30-18)16-32-11-9-23-13-22(27(28)29)24-10-12-33-17-21-8-6-19(31-21)15-26(3)4/h5-8,23H,9-17H2,1-4H3
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n/an/a 900n/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


Citation and Details
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50005492
PNG
(CHEMBL418712 | {5-[9-(5-Dimethylaminomethyl-furan-...)
Show SMILES CN(C)Cc1ccc(CSCCCCCCCCCSCc2ccc(CN(C)C)o2)o1
Show InChI InChI=1S/C25H42N2O2S2/c1-26(2)18-22-12-14-24(28-22)20-30-16-10-8-6-5-7-9-11-17-31-21-25-15-13-23(29-25)19-27(3)4/h12-15H,5-11,16-21H2,1-4H3
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n/an/a 1.00E+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


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50005503
PNG
(CHEMBL13308 | {5-[2-(5-Dimethylaminomethyl-furan-2...)
Show SMILES CN(C)Cc1ccc(CSCCSCc2ccc(CN(C)C)o2)o1
Show InChI InChI=1S/C18H28N2O2S2/c1-19(2)11-15-5-7-17(21-15)13-23-9-10-24-14-18-8-6-16(22-18)12-20(3)4/h5-8H,9-14H2,1-4H3
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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
Compound was evaluated for the competitive inhibition of [3H]pirenzepine binding to Muscarinic acetylcholine receptor M1 of mouse cerebral cortex


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50005501
PNG
(CHEMBL275537 | {5-[3-(5-Dimethylaminomethyl-furan-...)
Show SMILES CN(C)Cc1ccc(CSCCCSCc2ccc(CN(C)C)o2)o1
Show InChI InChI=1S/C19H30N2O2S2/c1-20(2)12-16-6-8-18(22-16)14-24-10-5-11-25-15-19-9-7-17(23-19)13-21(3)4/h6-9H,5,10-15H2,1-4H3
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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
Compound was evaluated for the competitive inhibition of [3H]pirenzepine binding to Muscarinic acetylcholine receptor M1 of mouse cerebral cortex


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50005510
PNG
(CHEMBL12547 | {5-[10-(5-Dimethylaminomethyl-furan-...)
Show SMILES CN(C)Cc1ccc(CSCCCCCCCCCCSCc2ccc(CN(C)C)o2)o1
Show InChI InChI=1S/C26H44N2O2S2/c1-27(2)19-23-13-15-25(29-23)21-31-17-11-9-7-5-6-8-10-12-18-32-22-26-16-14-24(30-26)20-28(3)4/h13-16H,5-12,17-22H2,1-4H3
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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
The compound was evaluated for the inhibition of human Acetylcholinesterase


Citation and Details
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50005498
PNG
(CHEMBL12781 | {5-[4'-(5-Dimethylaminomethyl-furan-...)
Show SMILES CN(C)Cc1ccc(CSCc2ccc(cc2)-c2ccc(CSCc3ccc(CN(C)C)o3)cc2)o1
Show InChI InChI=1S/C30H36N2O2S2/c1-31(2)17-27-13-15-29(33-27)21-35-19-23-5-9-25(10-6-23)26-11-7-24(8-12-26)20-36-22-30-16-14-28(34-30)18-32(3)4/h5-16H,17-22H2,1-4H3
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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
The compound was evaluated for the inhibition human of Butyrylcholinesterase I


Citation and Details
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50005504
PNG
(CHEMBL13206 | N-((5-Ethylsulfanylmethyl-furan-2-yl...)
Show SMILES CN(C)Cc1ccc(CSCCNCC(=NCCSCc2ccc(CN(C)C)o2)[N+]([O-])=O)o1
Show InChI InChI=1S/C22H35N5O4S2/c1-25(2)14-18-5-7-20(30-18)16-32-11-9-23-13-22(27(28)29)24-10-12-33-17-21-8-6-19(31-21)15-26(3)4/h5-8,23H,9-17H2,1-4H3
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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
The compound was evaluated for the inhibition human of Butyrylcholinesterase


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50005503
PNG
(CHEMBL13308 | {5-[2-(5-Dimethylaminomethyl-furan-2...)
Show SMILES CN(C)Cc1ccc(CSCCSCc2ccc(CN(C)C)o2)o1
Show InChI InChI=1S/C18H28N2O2S2/c1-19(2)11-15-5-7-17(21-15)13-23-9-10-24-14-18-8-6-16(22-18)12-20(3)4/h5-8H,9-14H2,1-4H3
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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
Compound was evaluated for the competitive inhibition of [3H]methylscopolamine binding to Muscarinic acetylcholine receptor M2 of mouse cerebral cort...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50005512
PNG
(CHEMBL12473 | {5-[3-(5-Dimethylaminomethyl-furan-2...)
Show SMILES CN(C)Cc1ccc(CSCc2cccc(CSCc3ccc(CN(C)C)o3)c2)o1
Show InChI InChI=1S/C24H32N2O2S2/c1-25(2)13-21-8-10-23(27-21)17-29-15-19-6-5-7-20(12-19)16-30-18-24-11-9-22(28-24)14-26(3)4/h5-12H,13-18H2,1-4H3
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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 human acetylcholinesterase-I


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50005501
PNG
(CHEMBL275537 | {5-[3-(5-Dimethylaminomethyl-furan-...)
Show SMILES CN(C)Cc1ccc(CSCCCSCc2ccc(CN(C)C)o2)o1
Show InChI InChI=1S/C19H30N2O2S2/c1-20(2)12-16-6-8-18(22-16)14-24-10-5-11-25-15-19-9-7-17(23-19)13-21(3)4/h6-9H,5,10-15H2,1-4H3
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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
Compound was evaluated for the competitive inhibition of [3H]methylscopolamine binding to Muscarinic acetylcholine receptor M2 of mouse cerebral cort...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50005498
PNG
(CHEMBL12781 | {5-[4'-(5-Dimethylaminomethyl-furan-...)
Show SMILES CN(C)Cc1ccc(CSCc2ccc(cc2)-c2ccc(CSCc3ccc(CN(C)C)o3)cc2)o1
Show InChI InChI=1S/C30H36N2O2S2/c1-31(2)17-27-13-15-29(33-27)21-35-19-23-5-9-25(10-6-23)26-11-7-24(8-12-26)20-36-22-30-16-14-28(34-30)18-32(3)4/h5-16H,17-22H2,1-4H3
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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
Compound was evaluated for the competitive inhibition of [3H]methylscopolamine binding to Muscarinic acetylcholine receptor M2 of mouse cerebral cort...


Citation and Details
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50005496
PNG
(CHEMBL13426 | {5-[7-(5-Dimethylaminomethyl-furan-2...)
Show SMILES CN(C)Cc1ccc(CSCCCCCCCSCc2ccc(CN(C)C)o2)o1
Show InChI InChI=1S/C23H38N2O2S2/c1-24(2)16-20-10-12-22(26-20)18-28-14-8-6-5-7-9-15-29-19-23-13-11-21(27-23)17-25(3)4/h10-13H,5-9,14-19H2,1-4H3
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n/an/a 1.90E+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


Citation and Details
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50005494
PNG
(CHEMBL418714 | {5-[8-(5-Dimethylaminomethyl-furan-...)
Show SMILES CN(C)Cc1ccc(CSCCCCCCCCSCc2ccc(CN(C)C)o2)o1
Show InChI InChI=1S/C24H40N2O2S2/c1-25(2)17-21-11-13-23(27-21)19-29-15-9-7-5-6-8-10-16-30-20-24-14-12-22(28-24)18-26(3)4/h11-14H,5-10,15-20H2,1-4H3
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n/an/a 1.90E+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


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


Citation and Details
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 2.10E+3n/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...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50005497
PNG
(CHEMBL12937 | {5-[4-(5-Dimethylaminomethyl-furan-2...)
Show SMILES CN(C)Cc1ccc(CSCCCCSCc2ccc(CN(C)C)o2)o1
Show InChI InChI=1S/C20H32N2O2S2/c1-21(2)13-17-7-9-19(23-17)15-25-11-5-6-12-26-16-20-10-8-18(24-20)14-22(3)4/h7-10H,5-6,11-16H2,1-4H3
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n/an/a 2.20E+3n/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...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM22893
PNG
(CHEMBL512 | Ranitidine | ZANTAC | dimethyl[(5-{[(2...)
Show SMILES CN\C([CH-][N+]([O-])=O)=[NH+]/CCSCc1ccc(CN(C)C)o1
Show InChI InChI=1S/C13H21N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9H,6-8,10H2,1-3H3,(H,14,15)/q-1/p+1
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n/an/a 2.30E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
The compound was evaluated for the inhibition of human Acetylcholinesterase


Citation and Details
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50005493
PNG
(CHEMBL12858 | N-((5-Ethylsulfanylmethyl-furan-2-yl...)
Show SMILES CN(C)Cc1ccc(CSCCNC(NCCSCc2ccc(CN(C)C)o2)=NC#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


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50005505
PNG
(2-(5-Dimethylaminomethyl-furan-2-ylmethylsulfanyl)...)
Show SMILES CN(C)Cc1ccc(CSCCNC(=O)CSCc2ccc(CN(C)C)o2)o1
Show InChI InChI=1S/C20H31N3O3S2/c1-22(2)11-16-5-7-18(25-16)13-27-10-9-21-20(24)15-28-14-19-8-6-17(26-19)12-23(3)4/h5-8H,9-15H2,1-4H3,(H,21,24)
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of human acetylcholinesterase-I


Citation and Details
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50005502
PNG
(CHEMBL12472 | {5-[4-(5-Dimethylaminomethyl-furan-2...)
Show SMILES CN(C)Cc1ccc(CSCc2ccc(CSCc3ccc(CN(C)C)o3)cc2)o1
Show InChI InChI=1S/C24H32N2O2S2/c1-25(2)13-21-9-11-23(27-21)17-29-15-19-5-7-20(8-6-19)16-30-18-24-12-10-22(28-24)14-26(3)4/h5-12H,13-18H2,1-4H3
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n/an/a 2.70E+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


Citation and Details
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50005509
PNG
(CHEMBL268499 | {5-[6-(5-Dimethylaminomethyl-furan-...)
Show SMILES CN(C)Cc1ccc(CSCCCCCCSCc2ccc(CN(C)C)o2)o1
Show InChI InChI=1S/C22H36N2O2S2/c1-23(2)15-19-9-11-21(25-19)17-27-13-7-5-6-8-14-28-18-22-12-10-20(26-22)16-24(3)4/h9-12H,5-8,13-18H2,1-4H3
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n/an/a 2.90E+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


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50368597
PNG
(CHEMBL1202417)
Show SMILES CN(C)Cc1ccc(CSCCN\C=N\CCSCc2ccc(CN(C)C)o2)o1
Show InChI InChI=1S/C21H34N4O2S2/c1-24(2)13-18-5-7-20(26-18)15-28-11-9-22-17-23-10-12-29-16-21-8-6-19(27-21)14-25(3)4/h5-8,17H,9-16H2,1-4H3,(H,22,23)
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of human acetylcholinesterase-I


Citation and Details
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50005497
PNG
(CHEMBL12937 | {5-[4-(5-Dimethylaminomethyl-furan-2...)
Show SMILES CN(C)Cc1ccc(CSCCCCSCc2ccc(CN(C)C)o2)o1
Show InChI InChI=1S/C20H32N2O2S2/c1-21(2)13-17-7-9-19(23-17)15-25-11-5-6-12-26-16-20-10-8-18(24-20)14-22(3)4/h7-10H,5-6,11-16H2,1-4H3
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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
The compound was evaluated for the inhibition human of Butyrylcholinesterase I


Citation and Details
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50005495
PNG
(CHEMBL13166 | {5-[5-(5-Dimethylaminomethyl-furan-2...)
Show SMILES CN(C)Cc1ccc(CSCCCCCSCc2ccc(CN(C)C)o2)o1
Show InChI InChI=1S/C21H34N2O2S2/c1-22(2)14-18-8-10-20(24-18)16-26-12-6-5-7-13-27-17-21-11-9-19(25-21)15-23(3)4/h8-11H,5-7,12-17H2,1-4H3
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n/an/a 3.60E+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


Citation and Details
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50005501
PNG
(CHEMBL275537 | {5-[3-(5-Dimethylaminomethyl-furan-...)
Show SMILES CN(C)Cc1ccc(CSCCCSCc2ccc(CN(C)C)o2)o1
Show InChI InChI=1S/C19H30N2O2S2/c1-20(2)12-16-6-8-18(22-16)14-24-10-5-11-25-15-19-9-7-17(23-19)13-21(3)4/h6-9H,5,10-15H2,1-4H3
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n/an/a 4.10E+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


Citation and Details
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50005503
PNG
(CHEMBL13308 | {5-[2-(5-Dimethylaminomethyl-furan-2...)
Show SMILES CN(C)Cc1ccc(CSCCSCc2ccc(CN(C)C)o2)o1
Show InChI InChI=1S/C18H28N2O2S2/c1-19(2)11-15-5-7-17(21-15)13-23-9-10-24-14-18-8-6-16(22-18)12-20(3)4/h5-8H,9-14H2,1-4H3
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n/an/a 4.30E+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


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50005507
PNG
(CHEMBL267649 | {5-[2-(5-Dimethylaminomethyl-furan-...)
Show SMILES CN(C)Cc1ccc(CSCc2ccccc2CSCc2ccc(CN(C)C)o2)o1
Show InChI InChI=1S/C24H32N2O2S2/c1-25(2)13-21-9-11-23(27-21)17-29-15-19-7-5-6-8-20(19)16-30-18-24-12-10-22(28-24)14-26(3)4/h5-12H,13-18H2,1-4H3
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n/an/a 9.00E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of human acetylcholinesterase-I


Citation and Details
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
Compound was evaluated for the competitive inhibition of [3H]pirenzepine binding to muscarinic acetylcholine receptor M1 of mouse cerebral cortex


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50005511
PNG
(CHEMBL13522 | [5-(5-Dimethylaminomethyl-furan-2-yl...)
Show SMILES CN(C)Cc1ccc(CSCc2ccc(CN(C)C)o2)o1
Show InChI InChI=1S/C16H24N2O2S/c1-17(2)9-13-5-7-15(19-13)11-21-12-16-8-6-14(20-16)10-18(3)4/h5-8H,9-12H2,1-4H3
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n/an/a 4.40E+4n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of human acetylcholinesterase-I


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50005508
PNG
(1,3-Bis-[2-(5-dimethylaminomethyl-furan-2-ylmethyl...)
Show SMILES CN(C)Cc1ccc(CSCCNC(=O)NCCSCc2ccc(CN(C)C)o2)o1
Show InChI InChI=1S/C21H34N4O3S2/c1-24(2)13-17-5-7-19(27-17)15-29-11-9-22-21(26)23-10-12-30-16-20-8-6-18(28-20)14-25(3)4/h5-8H,9-16H2,1-4H3,(H2,22,23,26)
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n/an/a 4.80E+4n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of human acetylcholinesterase-I


Citation and Details
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 1.60E+5n/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...


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%