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Compile Data Set for Download or QSAR

Found 65 hits with Last Name = 'tweedie' and Initial = 'd'   
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
Cholinesterase


(Homo sapiens (Human))
BDBM10616
PNG
((3aS)-3a,8-dimethyl-2H,3H,3aH,8H,8aH-furo[2,3-b]in...)
Show SMILES CCNC(=O)Oc1ccc2N(C)C3OCC[C@@]3(C)c2c1
Show InChI InChI=1S/C15H20N2O3/c1-4-16-14(18)20-10-5-6-12-11(9-10)15(2)7-8-19-13(15)17(12)3/h5-6,9,13H,4,7-8H2,1-3H3,(H,16,18)/t13?,15-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



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Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 2174-85 (2006)


Article DOI: 10.1021/jm050578p
BindingDB Entry DOI: 10.7270/Q2S75DJ6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10598
PNG
((2S)-2-methyl-5,7-dioxatricyclo[6.4.0.0^{2,6}]dode...)
Show SMILES CCNC(=O)Oc1ccc2OC3OCC[C@@]3(C)c2c1
Show InChI InChI=1S/C14H17NO4/c1-3-15-13(16)18-9-4-5-11-10(8-9)14(2)6-7-17-12(14)19-11/h4-5,8,12H,3,6-7H2,1-2H3,(H,15,16)/t12?,14-/m0/s1
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Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 2174-85 (2006)


Article DOI: 10.1021/jm050578p
BindingDB Entry DOI: 10.7270/Q2S75DJ6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10610
PNG
((3aS)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo...)
Show SMILES CCNC(=O)Oc1ccc2N(C)C3N(C)CC[C@@]3(C)c2c1
Show InChI InChI=1S/C16H23N3O2/c1-5-17-15(20)21-11-6-7-13-12(10-11)16(2)8-9-18(3)14(16)19(13)4/h6-7,10,14H,5,8-9H2,1-4H3,(H,17,20)/t14?,16-/m0/s1
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Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 2174-85 (2006)


Article DOI: 10.1021/jm050578p
BindingDB Entry DOI: 10.7270/Q2S75DJ6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10614
PNG
((3aS)-3a,8-dimethyl-2H,3H,3aH,8H,8aH-furo[2,3-b]in...)
Show SMILES CNC(=O)Oc1ccc2N(C)C3OCC[C@@]3(C)c2c1
Show InChI InChI=1S/C14H18N2O3/c1-14-6-7-18-12(14)16(3)11-5-4-9(8-10(11)14)19-13(17)15-2/h4-5,8,12H,6-7H2,1-3H3,(H,15,17)/t12?,14-/m0/s1
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Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 2174-85 (2006)


Article DOI: 10.1021/jm050578p
BindingDB Entry DOI: 10.7270/Q2S75DJ6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10623
PNG
((-)Heptylstigmine | (3aS)-1,3a,8-trimethyl-1H,2H,3...)
Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C3N(C)CC[C@@]3(C)c2c1
Show InChI InChI=1S/C21H33N3O2/c1-5-6-7-8-9-13-22-20(25)26-16-10-11-18-17(15-16)21(2)12-14-23(3)19(21)24(18)4/h10-11,15,19H,5-9,12-14H2,1-4H3,(H,22,25)/t19?,21-/m0/s1
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Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 2174-85 (2006)


Article DOI: 10.1021/jm050578p
BindingDB Entry DOI: 10.7270/Q2S75DJ6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10611
PNG
((3aS)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo...)
Show SMILES CN1CC[C@]2(C)C1N(C)c1ccc(OC(=O)Nc3ccccc3C)cc21
Show InChI InChI=1S/C21H25N3O2/c1-14-7-5-6-8-17(14)22-20(25)26-15-9-10-18-16(13-15)21(2)11-12-23(3)19(21)24(18)4/h5-10,13,19H,11-12H2,1-4H3,(H,22,25)/t19?,21-/m0/s1
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n/an/a 10n/an/an/an/a8.037



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Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 2174-85 (2006)


Article DOI: 10.1021/jm050578p
BindingDB Entry DOI: 10.7270/Q2S75DJ6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10626
PNG
((-)-(3aS)-3a-Methyl-2,3,3a,8a-Tetrahydrofuro[2,3-b...)
Show SMILES CC(C)c1ccc(NC(=O)Oc2ccc3OC4OCC[C@@]4(C)c3c2)cc1
Show InChI InChI=1S/C21H23NO4/c1-13(2)14-4-6-15(7-5-14)22-20(23)25-16-8-9-18-17(12-16)21(3)10-11-24-19(21)26-18/h4-9,12-13,19H,10-11H2,1-3H3,(H,22,23)/t19?,21-/m0/s1
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Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 2174-85 (2006)


Article DOI: 10.1021/jm050578p
BindingDB Entry DOI: 10.7270/Q2S75DJ6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10617
PNG
((3aS)-3a,8-dimethyl-2H,3H,3aH,8H,8aH-furo[2,3-b]in...)
Show SMILES CN1C2OCC[C@@]2(C)c2cc(OC(=O)Nc3ccccc3C)ccc12
Show InChI InChI=1S/C20H22N2O3/c1-13-6-4-5-7-16(13)21-19(23)25-14-8-9-17-15(12-14)20(2)10-11-24-18(20)22(17)3/h4-9,12,18H,10-11H2,1-3H3,(H,21,23)/t18?,20-/m0/s1
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Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 2174-85 (2006)


Article DOI: 10.1021/jm050578p
BindingDB Entry DOI: 10.7270/Q2S75DJ6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10627
PNG
((+)-(5S)-5-Methyl-4,5-dihydro-2,5-methano-1,3-benz...)
Show SMILES CC(C)c1ccc(NC(=O)Oc2ccc3OC4C[C@](C)(CO4)c3c2)cc1
Show InChI InChI=1S/C21H23NO4/c1-13(2)14-4-6-15(7-5-14)22-20(23)25-16-8-9-18-17(10-16)21(3)11-19(26-18)24-12-21/h4-10,13,19H,11-12H2,1-3H3,(H,22,23)/t19?,21-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



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Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 2174-85 (2006)


Article DOI: 10.1021/jm050578p
BindingDB Entry DOI: 10.7270/Q2S75DJ6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10608
PNG
((-)-physostigmine | (3aS)-1,3a,8-trimethyl-1H,2H,3...)
Show SMILES CNC(=O)Oc1ccc2N(C)C3N(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-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



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Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 2174-85 (2006)


Article DOI: 10.1021/jm050578p
BindingDB Entry DOI: 10.7270/Q2S75DJ6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10619
PNG
((4-Isopropyl-phenyl)-carbamic acid (S)-3a,8-dimeth...)
Show SMILES CC(C)c1ccc(NC(=O)Oc2ccc3N(C)C4OCC[C@@]4(C)c3c2)cc1
Show InChI InChI=1S/C22H26N2O3/c1-14(2)15-5-7-16(8-6-15)23-21(25)27-17-9-10-19-18(13-17)22(3)11-12-26-20(22)24(19)4/h5-10,13-14,20H,11-12H2,1-4H3,(H,23,25)/t20?,22-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



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Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 2174-85 (2006)


Article DOI: 10.1021/jm050578p
BindingDB Entry DOI: 10.7270/Q2S75DJ6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10624
PNG
(1,5-bis(4-allyldimethylammoniumphenyl)-pentan-3-on...)
Show SMILES C[N+](C)(CC=C)c1ccc(CCC(=O)CCc2ccc(cc2)[N+](C)(C)CC=C)cc1
Show InChI InChI=1S/C27H38N2O/c1-7-21-28(3,4)25-15-9-23(10-16-25)13-19-27(30)20-14-24-11-17-26(18-12-24)29(5,6)22-8-2/h7-12,15-18H,1-2,13-14,19-22H2,3-6H3/q+2
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n/an/a 18n/an/an/an/an/an/a



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Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 2174-85 (2006)


Article DOI: 10.1021/jm050578p
BindingDB Entry DOI: 10.7270/Q2S75DJ6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10600
PNG
((2S)-2-methyl-5,7-dioxatricyclo[6.4.0.0^{2,6}]dode...)
Show SMILES Cc1ccccc1NC(=O)Oc1ccc2OC3OCC[C@@]3(C)c2c1
Show InChI InChI=1S/C19H19NO4/c1-12-5-3-4-6-15(12)20-18(21)23-13-7-8-16-14(11-13)19(2)9-10-22-17(19)24-16/h3-8,11,17H,9-10H2,1-2H3,(H,20,21)/t17?,19-/m0/s1
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n/an/a 20n/an/an/an/a8.037



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Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 2174-85 (2006)


Article DOI: 10.1021/jm050578p
BindingDB Entry DOI: 10.7270/Q2S75DJ6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10623
PNG
((-)Heptylstigmine | (3aS)-1,3a,8-trimethyl-1H,2H,3...)
Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C3N(C)CC[C@@]3(C)c2c1
Show InChI InChI=1S/C21H33N3O2/c1-5-6-7-8-9-13-22-20(25)26-16-10-11-18-17(15-16)21(2)12-14-23(3)19(21)24(18)4/h10-11,15,19H,5-9,12-14H2,1-4H3,(H,22,25)/t19?,21-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



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Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 2174-85 (2006)


Article DOI: 10.1021/jm050578p
BindingDB Entry DOI: 10.7270/Q2S75DJ6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10622
PNG
((-)-Phenserine | (3aS)-1,3a,8-trimethyl-1H,2H,3H,3...)
Show SMILES CN1CC[C@]2(C)C1N(C)c1ccc(OC(=O)Nc3ccccc3)cc21
Show InChI InChI=1S/C20H23N3O2/c1-20-11-12-22(2)18(20)23(3)17-10-9-15(13-16(17)20)25-19(24)21-14-7-5-4-6-8-14/h4-10,13,18H,11-12H2,1-3H3,(H,21,24)/t18?,20-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



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Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 2174-85 (2006)


Article DOI: 10.1021/jm050578p
BindingDB Entry DOI: 10.7270/Q2S75DJ6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 2174-85 (2006)


Article DOI: 10.1021/jm050578p
BindingDB Entry DOI: 10.7270/Q2S75DJ6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10629
PNG
((+)-(3aR)-3a,8-Dimethyl-2,3,3a,8a-tetrahydrofuro[2...)
Show SMILES CC(C)c1ccc(NC(=O)Oc2ccc3N(C)C4OCC[C@]4(C)c3c2)cc1
Show InChI InChI=1S/C22H26N2O3/c1-14(2)15-5-7-16(8-6-15)23-21(25)27-17-9-10-19-18(13-17)22(3)11-12-26-20(22)24(19)4/h5-10,13-14,20H,11-12H2,1-4H3,(H,23,25)/t20?,22-/m1/s1
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Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 2174-85 (2006)


Article DOI: 10.1021/jm050578p
BindingDB Entry DOI: 10.7270/Q2S75DJ6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10603
PNG
((-)-(5S)-5-Methyl-4,5-dihydro-2,5-methano-1,3-benz...)
Show SMILES CCNC(=O)Oc1ccc2OC3C[C@](C)(CO3)c2c1
Show InChI InChI=1S/C14H17NO4/c1-3-15-13(16)18-9-4-5-11-10(6-9)14(2)7-12(19-11)17-8-14/h4-6,12H,3,7-8H2,1-2H3,(H,15,16)/t12?,14-/m1/s1
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Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 2174-85 (2006)


Article DOI: 10.1021/jm050578p
BindingDB Entry DOI: 10.7270/Q2S75DJ6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10614
PNG
((3aS)-3a,8-dimethyl-2H,3H,3aH,8H,8aH-furo[2,3-b]in...)
Show SMILES CNC(=O)Oc1ccc2N(C)C3OCC[C@@]3(C)c2c1
Show InChI InChI=1S/C14H18N2O3/c1-14-6-7-18-12(14)16(3)11-5-4-9(8-10(11)14)19-13(17)15-2/h4-5,8,12H,6-7H2,1-3H3,(H,15,17)/t12?,14-/m0/s1
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Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 2174-85 (2006)


Article DOI: 10.1021/jm050578p
BindingDB Entry DOI: 10.7270/Q2S75DJ6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10608
PNG
((-)-physostigmine | (3aS)-1,3a,8-trimethyl-1H,2H,3...)
Show SMILES CNC(=O)Oc1ccc2N(C)C3N(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-/m0/s1
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n/an/a 28n/an/an/an/a8.037



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Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 2174-85 (2006)


Article DOI: 10.1021/jm050578p
BindingDB Entry DOI: 10.7270/Q2S75DJ6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10599
PNG
((+)-(3aR)-3a-Methyl-2,3,3a,8a-Tetrahydrofuro[2,3-b...)
Show SMILES CCNC(=O)Oc1ccc2OC3OCC[C@]3(C)c2c1
Show InChI InChI=1S/C14H17NO4/c1-3-15-13(16)18-9-4-5-11-10(8-9)14(2)6-7-17-12(14)19-11/h4-5,8,12H,3,6-7H2,1-2H3,(H,15,16)/t12?,14-/m1/s1
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Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 2174-85 (2006)


Article DOI: 10.1021/jm050578p
BindingDB Entry DOI: 10.7270/Q2S75DJ6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10601
PNG
((+)-(3aR)-3a-Methyl-2,3,3a,8a-Tetrahydrofuro[2,3-b...)
Show SMILES Cc1ccccc1NC(=O)Oc1ccc2OC3OCC[C@]3(C)c2c1
Show InChI InChI=1S/C19H19NO4/c1-12-5-3-4-6-15(12)20-18(21)23-13-7-8-16-14(11-13)19(2)9-10-22-17(19)24-16/h3-8,11,17H,9-10H2,1-2H3,(H,20,21)/t17?,19-/m1/s1
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n/an/a 36n/an/an/an/a8.037



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Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 2174-85 (2006)


Article DOI: 10.1021/jm050578p
BindingDB Entry DOI: 10.7270/Q2S75DJ6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 37n/an/an/an/an/an/a



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Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 2174-85 (2006)


Article DOI: 10.1021/jm050578p
BindingDB Entry DOI: 10.7270/Q2S75DJ6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10605
PNG
((+)-(5S)-5-Methyl-4,5-dihydro-2,5-methano-1,3-benz...)
Show SMILES Cc1ccccc1NC(=O)Oc1ccc2OC3C[C@](C)(CO3)c2c1
Show InChI InChI=1S/C19H19NO4/c1-12-5-3-4-6-15(12)20-18(21)23-13-7-8-16-14(9-13)19(2)10-17(24-16)22-11-19/h3-9,17H,10-11H2,1-2H3,(H,20,21)/t17?,19-/m1/s1
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n/an/a 38n/an/an/an/a8.037



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Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 2174-85 (2006)


Article DOI: 10.1021/jm050578p
BindingDB Entry DOI: 10.7270/Q2S75DJ6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10602
PNG
((+)-(3aR)-3a-Methyl-2,3,3a,8a-Tetrahydrofuro[2,3-b...)
Show SMILES CC(C)c1ccc(NC(=O)Oc2ccc3OC4OCC[C@]4(C)c3c2)cc1
Show InChI InChI=1S/C21H23NO4/c1-13(2)14-4-6-15(7-5-14)22-20(23)25-16-8-9-18-17(12-16)21(3)10-11-24-19(21)26-18/h4-9,12-13,19H,10-11H2,1-3H3,(H,22,23)/t19?,21-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



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Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 2174-85 (2006)


Article DOI: 10.1021/jm050578p
BindingDB Entry DOI: 10.7270/Q2S75DJ6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10441
PNG
((+)-Huperzine A | (+/-)Huperzine A | (-)-Huperzine...)
Show SMILES C\C=C1/C2Cc3[nH]c(=O)ccc3C1(N)CC(C)=C2
Show InChI InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+
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n/an/a 47n/an/an/an/an/an/a



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Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 2174-85 (2006)


Article DOI: 10.1021/jm050578p
BindingDB Entry DOI: 10.7270/Q2S75DJ6
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 47n/an/an/an/an/an/a



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Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 2174-85 (2006)


Article DOI: 10.1021/jm050578p
BindingDB Entry DOI: 10.7270/Q2S75DJ6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10613
PNG
((3aS)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo...)
Show SMILES CC(C)c1ccc(NC(=O)Oc2ccc3N(C)C4N(C)CC[C@@]4(C)c3c2)cc1
Show InChI InChI=1S/C23H29N3O2/c1-15(2)16-6-8-17(9-7-16)24-22(27)28-18-10-11-20-19(14-18)23(3)12-13-25(4)21(23)26(20)5/h6-11,14-15,21H,12-13H2,1-5H3,(H,24,27)/t21?,23-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



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Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 2174-85 (2006)


Article DOI: 10.1021/jm050578p
BindingDB Entry DOI: 10.7270/Q2S75DJ6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10607
PNG
((-)-(5R)-5-Methyl-4,5-dihydro-2,5-methano-1,3-benz...)
Show SMILES CC(C)c1ccc(NC(=O)Oc2ccc3OC4C[C@@](C)(CO4)c3c2)cc1
Show InChI InChI=1S/C21H23NO4/c1-13(2)14-4-6-15(7-5-14)22-20(23)25-16-8-9-18-17(10-16)21(3)11-19(26-18)24-12-21/h4-10,13,19H,11-12H2,1-3H3,(H,22,23)/t19?,21-/m0/s1
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n/an/a 54n/an/an/an/an/an/a



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Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 2174-85 (2006)


Article DOI: 10.1021/jm050578p
BindingDB Entry DOI: 10.7270/Q2S75DJ6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10615
PNG
((3aR)-3a,8-dimethyl-2H,3H,3aH,8H,8aH-furo[2,3-b]in...)
Show SMILES CNC(=O)Oc1ccc2N(C)C3OCC[C@]3(C)c2c1
Show InChI InChI=1S/C14H18N2O3/c1-14-6-7-18-12(14)16(3)11-5-4-9(8-10(11)14)19-13(17)15-2/h4-5,8,12H,6-7H2,1-3H3,(H,15,17)/t12?,14-/m1/s1
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n/an/a 56n/an/an/an/an/an/a



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Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 2174-85 (2006)


Article DOI: 10.1021/jm050578p
BindingDB Entry DOI: 10.7270/Q2S75DJ6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10615
PNG
((3aR)-3a,8-dimethyl-2H,3H,3aH,8H,8aH-furo[2,3-b]in...)
Show SMILES CNC(=O)Oc1ccc2N(C)C3OCC[C@]3(C)c2c1
Show InChI InChI=1S/C14H18N2O3/c1-14-6-7-18-12(14)16(3)11-5-4-9(8-10(11)14)19-13(17)15-2/h4-5,8,12H,6-7H2,1-3H3,(H,15,17)/t12?,14-/m1/s1
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n/an/a 56n/an/an/an/an/an/a



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Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 2174-85 (2006)


Article DOI: 10.1021/jm050578p
BindingDB Entry DOI: 10.7270/Q2S75DJ6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10616
PNG
((3aS)-3a,8-dimethyl-2H,3H,3aH,8H,8aH-furo[2,3-b]in...)
Show SMILES CCNC(=O)Oc1ccc2N(C)C3OCC[C@@]3(C)c2c1
Show InChI InChI=1S/C15H20N2O3/c1-4-16-14(18)20-10-5-6-12-11(9-10)15(2)7-8-19-13(15)17(12)3/h5-6,9,13H,4,7-8H2,1-3H3,(H,16,18)/t13?,15-/m0/s1
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n/an/a 82n/an/an/an/an/an/a



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Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 2174-85 (2006)


Article DOI: 10.1021/jm050578p
BindingDB Entry DOI: 10.7270/Q2S75DJ6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10610
PNG
((3aS)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo...)
Show SMILES CCNC(=O)Oc1ccc2N(C)C3N(C)CC[C@@]3(C)c2c1
Show InChI InChI=1S/C16H23N3O2/c1-5-17-15(20)21-11-6-7-13-12(10-11)16(2)8-9-18(3)14(16)19(13)4/h6-7,10,14H,5,8-9H2,1-4H3,(H,17,20)/t14?,16-/m0/s1
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n/an/a 94n/an/an/an/a8.037



National Institutes of Health



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 2174-85 (2006)


Article DOI: 10.1021/jm050578p
BindingDB Entry DOI: 10.7270/Q2S75DJ6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10606
PNG
((-)-(5R)-5-Methyl-4,5-dihydro-2,5-methano-1,3-benz...)
Show SMILES Cc1ccccc1NC(=O)Oc1ccc2OC3C[C@@](C)(CO3)c2c1
Show InChI InChI=1S/C19H19NO4/c1-12-5-3-4-6-15(12)20-18(21)23-13-7-8-16-14(9-13)19(2)10-17(24-16)22-11-19/h3-9,17H,10-11H2,1-2H3,(H,20,21)/t17?,19-/m0/s1
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n/an/a 97n/an/an/an/a8.037



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Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 2174-85 (2006)


Article DOI: 10.1021/jm050578p
BindingDB Entry DOI: 10.7270/Q2S75DJ6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10598
PNG
((2S)-2-methyl-5,7-dioxatricyclo[6.4.0.0^{2,6}]dode...)
Show SMILES CCNC(=O)Oc1ccc2OC3OCC[C@@]3(C)c2c1
Show InChI InChI=1S/C14H17NO4/c1-3-15-13(16)18-9-4-5-11-10(8-9)14(2)6-7-17-12(14)19-11/h4-5,8,12H,3,6-7H2,1-2H3,(H,15,16)/t12?,14-/m0/s1
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n/an/a 100n/an/an/an/a8.037



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Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 2174-85 (2006)


Article DOI: 10.1021/jm050578p
BindingDB Entry DOI: 10.7270/Q2S75DJ6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10604
PNG
((+)-(5R)-5-Methyl-4,5-dihydro-2,5-methano-1,3-benz...)
Show SMILES CCNC(=O)Oc1ccc2OC3C[C@@](C)(CO3)c2c1
Show InChI InChI=1S/C14H17NO4/c1-3-15-13(16)18-9-4-5-11-10(6-9)14(2)7-12(19-11)17-8-14/h4-6,12H,3,7-8H2,1-2H3,(H,15,16)/t12?,14-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



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Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 2174-85 (2006)


Article DOI: 10.1021/jm050578p
BindingDB Entry DOI: 10.7270/Q2S75DJ6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10618
PNG
((+)-(3aR)-3a,8-Dimethyl-2,3,3a,8a-tetrahydrofuro[2...)
Show SMILES CN1C2OCC[C@]2(C)c2cc(OC(=O)Nc3ccccc3C)ccc12
Show InChI InChI=1S/C20H22N2O3/c1-13-6-4-5-7-16(13)21-19(23)25-14-8-9-17-15(12-14)20(2)10-11-24-18(20)22(17)3/h4-9,12,18H,10-11H2,1-3H3,(H,21,23)/t18?,20-/m1/s1
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n/an/a 142n/an/an/an/an/an/a



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Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 2174-85 (2006)


Article DOI: 10.1021/jm050578p
BindingDB Entry DOI: 10.7270/Q2S75DJ6
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 190n/an/an/an/an/an/a



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Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 2174-85 (2006)


Article DOI: 10.1021/jm050578p
BindingDB Entry DOI: 10.7270/Q2S75DJ6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10599
PNG
((+)-(3aR)-3a-Methyl-2,3,3a,8a-Tetrahydrofuro[2,3-b...)
Show SMILES CCNC(=O)Oc1ccc2OC3OCC[C@]3(C)c2c1
Show InChI InChI=1S/C14H17NO4/c1-3-15-13(16)18-9-4-5-11-10(8-9)14(2)6-7-17-12(14)19-11/h4-5,8,12H,3,6-7H2,1-2H3,(H,15,16)/t12?,14-/m1/s1
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n/an/a 486n/an/an/an/a8.037



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Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 2174-85 (2006)


Article DOI: 10.1021/jm050578p
BindingDB Entry DOI: 10.7270/Q2S75DJ6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10603
PNG
((-)-(5S)-5-Methyl-4,5-dihydro-2,5-methano-1,3-benz...)
Show SMILES CCNC(=O)Oc1ccc2OC3C[C@](C)(CO3)c2c1
Show InChI InChI=1S/C14H17NO4/c1-3-15-13(16)18-9-4-5-11-10(6-9)14(2)7-12(19-11)17-8-14/h4-6,12H,3,7-8H2,1-2H3,(H,15,16)/t12?,14-/m1/s1
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n/an/a 610n/an/an/an/a8.037



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Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 2174-85 (2006)


Article DOI: 10.1021/jm050578p
BindingDB Entry DOI: 10.7270/Q2S75DJ6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10613
PNG
((3aS)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo...)
Show SMILES CC(C)c1ccc(NC(=O)Oc2ccc3N(C)C4N(C)CC[C@@]4(C)c3c2)cc1
Show InChI InChI=1S/C23H29N3O2/c1-15(2)16-6-8-17(9-7-16)24-22(27)28-18-10-11-20-19(14-18)23(3)12-13-25(4)21(23)26(20)5/h6-11,14-15,21H,12-13H2,1-5H3,(H,24,27)/t21?,23-/m0/s1
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n/an/a 760n/an/an/an/a8.037



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Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 2174-85 (2006)


Article DOI: 10.1021/jm050578p
BindingDB Entry DOI: 10.7270/Q2S75DJ6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10404
PNG
((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...)
Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24
Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
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n/an/a 800n/an/an/an/an/an/a



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Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 2174-85 (2006)


Article DOI: 10.1021/jm050578p
BindingDB Entry DOI: 10.7270/Q2S75DJ6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10625
PNG
(({[bis(propan-2-ylamino)phosphoryl]oxy}(propan-2-y...)
Show SMILES CC(C)NP(=O)(NC(C)C)OP(=O)(NC(C)C)NC(C)C
Show InChI InChI=1S/C12H32N4O3P2/c1-9(2)13-20(17,14-10(3)4)19-21(18,15-11(5)6)16-12(7)8/h9-12H,1-8H3,(H2,13,14,17)(H2,15,16,18)
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n/an/a 980n/an/an/an/an/an/a



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Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 2174-85 (2006)


Article DOI: 10.1021/jm050578p
BindingDB Entry DOI: 10.7270/Q2S75DJ6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10612
PNG
((+)-(3aR)-1,3a,8-Trimethyl-1,2,3,3a,8,8a-hexahydro...)
Show SMILES CN1CC[C@@]2(C)C1N(C)c1ccc(OC(=O)Nc3ccccc3C)cc21
Show InChI InChI=1S/C21H25N3O2/c1-14-7-5-6-8-17(14)22-20(25)26-15-9-10-18-16(13-15)21(2)11-12-23(3)19(21)24(18)4/h5-10,13,19H,11-12H2,1-4H3,(H,22,25)/t19?,21-/m1/s1
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n/an/a 1.18E+3n/an/an/an/an/an/a



National Institutes of Health



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 2174-85 (2006)


Article DOI: 10.1021/jm050578p
BindingDB Entry DOI: 10.7270/Q2S75DJ6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10617
PNG
((3aS)-3a,8-dimethyl-2H,3H,3aH,8H,8aH-furo[2,3-b]in...)
Show SMILES CN1C2OCC[C@@]2(C)c2cc(OC(=O)Nc3ccccc3C)ccc12
Show InChI InChI=1S/C20H22N2O3/c1-13-6-4-5-7-16(13)21-19(23)25-14-8-9-17-15(12-14)20(2)10-11-24-18(20)22(17)3/h4-9,12,18H,10-11H2,1-3H3,(H,21,23)/t18?,20-/m0/s1
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n/an/a 1.56E+3n/an/an/an/an/an/a



National Institutes of Health



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 2174-85 (2006)


Article DOI: 10.1021/jm050578p
BindingDB Entry DOI: 10.7270/Q2S75DJ6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10622
PNG
((-)-Phenserine | (3aS)-1,3a,8-trimethyl-1H,2H,3H,3...)
Show SMILES CN1CC[C@]2(C)C1N(C)c1ccc(OC(=O)Nc3ccccc3)cc21
Show InChI InChI=1S/C20H23N3O2/c1-20-11-12-22(2)18(20)23(3)17-10-9-15(13-16(17)20)25-19(24)21-14-7-5-4-6-8-14/h4-10,13,18H,11-12H2,1-3H3,(H,21,24)/t18?,20-/m0/s1
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n/an/a 1.56E+3n/an/an/an/an/an/a



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Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 2174-85 (2006)


Article DOI: 10.1021/jm050578p
BindingDB Entry DOI: 10.7270/Q2S75DJ6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10611
PNG
((3aS)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo...)
Show SMILES CN1CC[C@]2(C)C1N(C)c1ccc(OC(=O)Nc3ccccc3C)cc21
Show InChI InChI=1S/C21H25N3O2/c1-14-7-5-6-8-17(14)22-20(25)26-15-9-10-18-16(13-15)21(2)11-12-23(3)19(21)24(18)4/h5-10,13,19H,11-12H2,1-4H3,(H,22,25)/t19?,21-/m0/s1
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n/an/a 1.95E+3n/an/an/an/an/an/a



National Institutes of Health



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 2174-85 (2006)


Article DOI: 10.1021/jm050578p
BindingDB Entry DOI: 10.7270/Q2S75DJ6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10604
PNG
((+)-(5R)-5-Methyl-4,5-dihydro-2,5-methano-1,3-benz...)
Show SMILES CCNC(=O)Oc1ccc2OC3C[C@@](C)(CO3)c2c1
Show InChI InChI=1S/C14H17NO4/c1-3-15-13(16)18-9-4-5-11-10(6-9)14(2)7-12(19-11)17-8-14/h4-6,12H,3,7-8H2,1-2H3,(H,15,16)/t12?,14-/m0/s1
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n/an/a 2.42E+3n/an/an/an/a8.037



National Institutes of Health



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 2174-85 (2006)


Article DOI: 10.1021/jm050578p
BindingDB Entry DOI: 10.7270/Q2S75DJ6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10609
PNG
((+)-Physostigmine | (3aR)-1,3a,8-trimethyl-1H,2H,3...)
Show SMILES CNC(=O)Oc1ccc2N(C)C3N(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 2.49E+3n/an/an/an/an/an/a



National Institutes of Health



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 2174-85 (2006)


Article DOI: 10.1021/jm050578p
BindingDB Entry DOI: 10.7270/Q2S75DJ6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10607
PNG
((-)-(5R)-5-Methyl-4,5-dihydro-2,5-methano-1,3-benz...)
Show SMILES CC(C)c1ccc(NC(=O)Oc2ccc3OC4C[C@@](C)(CO4)c3c2)cc1
Show InChI InChI=1S/C21H23NO4/c1-13(2)14-4-6-15(7-5-14)22-20(23)25-16-8-9-18-17(10-16)21(3)11-19(26-18)24-12-21/h4-10,13,19H,11-12H2,1-3H3,(H,22,23)/t19?,21-/m0/s1
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n/an/a 3.43E+3n/an/an/an/a8.037



National Institutes of Health



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 2174-85 (2006)


Article DOI: 10.1021/jm050578p
BindingDB Entry DOI: 10.7270/Q2S75DJ6
More data for this
Ligand-Target Pair
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