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149 similar compounds to monomer 10687

Compile data set for download or QSAR
Wt: 379.4
BDBM10628
Wt: 309.3
BDBM10679
Wt: 309.3
BDBM10680
Wt: 247.2
BDBM10681
Wt: 247.2
BDBM10682
Wt: 427.5
BDBM10684
Wt: 427.5
BDBM10685
Wt: 323.3
BDBM10686
Wt: 323.3
BDBM10688
Wt: 351.4
BDBM10690
Wt: 351.4
BDBM10691
Wt: 261.3
BDBM10689
Wt: 337.4
BDBM10676
Wt: 275.3
BDBM10608
Purchase
Wt: 275.3
BDBM10609
Purchase
Displayed 1 to 15 (of 149 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 46 hits for monomerid = 10628,10679,10680,10681,10682,10684,10685,10686,10688,10690,10691,10689,10676,10608,10609   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
n-AChR


(RAT)
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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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




Mol Pharmacol 57: 642-9 (2000)


Article DOI: 10.1124/mol.57.3.642
BindingDB Entry DOI: 10.7270/Q21C1VF8
More data for this
Ligand-Target Pair
n-AChR


(RAT)
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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>1.00E+4n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




Mol Pharmacol 39: 9-12 (1991)


BindingDB Entry DOI: 10.7270/Q23T9FPK
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



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
Cholinesterase


(Homo sapiens (Human))
BDBM10628
PNG
((+)-(3aR)-1,3a,8-Trimethyl-1,2,3,3a,8,8a-hexahydro...)
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-/m1/s1
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n/an/a 5.10E+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))
BDBM10676
PNG
((+)-phenserine | (+)1 | (3aR)-1,3a,8-trimethyl-1H,...)
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-/m1/s1
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n/an/a 3.50E+3n/an/an/an/a8.037



University of North Carolina at Chapel Hill



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 41: 2371-9 (1998)


Article DOI: 10.1021/jm9800494
BindingDB Entry DOI: 10.7270/Q2W0944J
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 27.9n/an/an/an/a8.037



University of North Carolina at Chapel Hill



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 41: 2371-9 (1998)


Article DOI: 10.1021/jm9800494
BindingDB Entry DOI: 10.7270/Q2W0944J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(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 9.89E+3n/an/an/an/a8.037



University of North Carolina at Chapel Hill



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 41: 2371-9 (1998)


Article DOI: 10.1021/jm9800494
BindingDB Entry DOI: 10.7270/Q2W0944J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10679
PNG
((-)-(3aS)-3a-Methyl-1,2,3,3a,8,8a-hexahydropyrrol[...)
Show SMILES C[C@@]12CCNC1Nc1ccc(OC(=O)Nc3ccccc3)cc21
Show InChI InChI=1S/C18H19N3O2/c1-18-9-10-19-16(18)21-15-8-7-13(11-14(15)18)23-17(22)20-12-5-3-2-4-6-12/h2-8,11,16,19,21H,9-10H2,1H3,(H,20,22)/t16?,18-/m0/s1
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n/an/a 22.1n/an/an/an/a8.037



University of North Carolina at Chapel Hill



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 41: 2371-9 (1998)


Article DOI: 10.1021/jm9800494
BindingDB Entry DOI: 10.7270/Q2W0944J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10680
PNG
((+)-N1,N8-bisnorphenserine | (+)9 | (3aR)-3a-methy...)
Show SMILES C[C@]12CCNC1Nc1ccc(OC(=O)Nc3ccccc3)cc21
Show InChI InChI=1S/C18H19N3O2/c1-18-9-10-19-16(18)21-15-8-7-13(11-14(15)18)23-17(22)20-12-5-3-2-4-6-12/h2-8,11,16,19,21H,9-10H2,1H3,(H,20,22)/t16?,18-/m1/s1
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n/an/a 231n/an/an/an/a8.037



University of North Carolina at Chapel Hill



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 41: 2371-9 (1998)


Article DOI: 10.1021/jm9800494
BindingDB Entry DOI: 10.7270/Q2W0944J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10681
PNG
((-)-(3aS)-3a-Methyl-1,2,3,3a,8,8a-hexahydropyrrol[...)
Show SMILES CNC(=O)Oc1ccc2NC3NCC[C@@]3(C)c2c1
Show InChI InChI=1S/C13H17N3O2/c1-13-5-6-15-11(13)16-10-4-3-8(7-9(10)13)18-12(17)14-2/h3-4,7,11,15-16H,5-6H2,1-2H3,(H,14,17)/t11?,13-/m0/s1
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n/an/a 10.9n/an/an/an/a8.037



University of North Carolina at Chapel Hill



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 41: 2371-9 (1998)


Article DOI: 10.1021/jm9800494
BindingDB Entry DOI: 10.7270/Q2W0944J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10682
PNG
((+)-N1,N8-bisnorphysostigmine | (+)10 | (3aR)-3a-m...)
Show SMILES CNC(=O)Oc1ccc2NC3NCC[C@]3(C)c2c1
Show InChI InChI=1S/C13H17N3O2/c1-13-5-6-15-11(13)16-10-4-3-8(7-9(10)13)18-12(17)14-2/h3-4,7,11,15-16H,5-6H2,1-2H3,(H,14,17)/t11?,13-/m1/s1
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n/an/a 1.49E+3n/an/an/an/a8.037



University of North Carolina at Chapel Hill



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 41: 2371-9 (1998)


Article DOI: 10.1021/jm9800494
BindingDB Entry DOI: 10.7270/Q2W0944J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10684
PNG
((-)-(3aS)-1,8-Dibenzyl-3a-methyl-1,2,3,3a,8,8a-hex...)
Show SMILES CNC(=O)Oc1ccc2N(Cc3ccccc3)C3N(Cc4ccccc4)CC[C@@]3(C)c2c1
Show InChI InChI=1S/C27H29N3O2/c1-27-15-16-29(18-20-9-5-3-6-10-20)25(27)30(19-21-11-7-4-8-12-21)24-14-13-22(17-23(24)27)32-26(31)28-2/h3-14,17,25H,15-16,18-19H2,1-2H3,(H,28,31)/t25?,27-/m0/s1
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n/an/a 1.09E+3n/an/an/an/a8.037



University of North Carolina at Chapel Hill



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 41: 2371-9 (1998)


Article DOI: 10.1021/jm9800494
BindingDB Entry DOI: 10.7270/Q2W0944J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10685
PNG
((+)-N1,N8-bisbenzylnorphysostigmine | (+)19 | (3aR...)
Show SMILES CNC(=O)Oc1ccc2N(Cc3ccccc3)C3N(Cc4ccccc4)CC[C@]3(C)c2c1
Show InChI InChI=1S/C27H29N3O2/c1-27-15-16-29(18-20-9-5-3-6-10-20)25(27)30(19-21-11-7-4-8-12-21)24-14-13-22(17-23(24)27)32-26(31)28-2/h3-14,17,25H,15-16,18-19H2,1-2H3,(H,28,31)/t25?,27-/m1/s1
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n/an/a 3.56E+3n/an/an/an/a8.037



University of North Carolina at Chapel Hill



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 41: 2371-9 (1998)


Article DOI: 10.1021/jm9800494
BindingDB Entry DOI: 10.7270/Q2W0944J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10686
PNG
((-)-N1-norphenserine | (3aS)-3a,8-dimethyl-1H,2H,3...)
Show SMILES CN1C2NCC[C@@]2(C)c2cc(OC(=O)Nc3ccccc3)ccc12
Show InChI InChI=1S/C19H21N3O2/c1-19-10-11-20-17(19)22(2)16-9-8-14(12-15(16)19)24-18(23)21-13-6-4-3-5-7-13/h3-9,12,17,20H,10-11H2,1-2H3,(H,21,23)/t17?,19-/m0/s1
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n/an/a 13.8n/an/an/an/a8.037



University of North Carolina at Chapel Hill



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 41: 2371-9 (1998)


Article DOI: 10.1021/jm9800494
BindingDB Entry DOI: 10.7270/Q2W0944J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10688
PNG
((-)-N8-norphenserine | (3aS)-1,3a-dimethyl-1H,2H,3...)
Show SMILES CN1CC[C@]2(C)C1Nc1ccc(OC(=O)Nc3ccccc3)cc21
Show InChI InChI=1S/C19H21N3O2/c1-19-10-11-22(2)17(19)21-16-9-8-14(12-15(16)19)24-18(23)20-13-6-4-3-5-7-13/h3-9,12,17,21H,10-11H2,1-2H3,(H,20,23)/t17?,19-/m0/s1
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n/an/a 40.8n/an/an/an/a8.037



University of North Carolina at Chapel Hill



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 41: 2371-9 (1998)


Article DOI: 10.1021/jm9800494
BindingDB Entry DOI: 10.7270/Q2W0944J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10689
PNG
((-)-N8-norphysostigmine | (3aS)-1,3a-dimethyl-1H,2...)
Show SMILES CNC(=O)Oc1ccc2NC3N(C)CC[C@@]3(C)c2c1
Show InChI InChI=1S/C14H19N3O2/c1-14-6-7-17(3)12(14)16-11-5-4-9(8-10(11)14)19-13(18)15-2/h4-5,8,12,16H,6-7H2,1-3H3,(H,15,18)/t12?,14-/m0/s1
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n/an/a 56.7n/an/an/an/a8.037



University of North Carolina at Chapel Hill



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 41: 2371-9 (1998)


Article DOI: 10.1021/jm9800494
BindingDB Entry DOI: 10.7270/Q2W0944J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10690
PNG
((-)-N8-benzylnorphysostigmine | (3aS)-1-benzyl-3a,...)
Show SMILES CNC(=O)Oc1ccc2N(C)C3N(Cc4ccccc4)CC[C@@]3(C)c2c1
Show InChI InChI=1S/C21H25N3O2/c1-21-11-12-24(14-15-7-5-4-6-8-15)19(21)23(3)18-10-9-16(13-17(18)21)26-20(25)22-2/h4-10,13,19H,11-12,14H2,1-3H3,(H,22,25)/t19?,21-/m0/s1
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n/an/a 330n/an/an/an/a8.037



University of North Carolina at Chapel Hill



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 41: 2371-9 (1998)


Article DOI: 10.1021/jm9800494
BindingDB Entry DOI: 10.7270/Q2W0944J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10691
PNG
((-)-N1-benzylnorphysostigmine | (3aS)-8-benzyl-1,3...)
Show SMILES CNC(=O)Oc1ccc2N(Cc3ccccc3)C3N(C)CC[C@@]3(C)c2c1
Show InChI InChI=1S/C21H25N3O2/c1-21-11-12-23(3)19(21)24(14-15-7-5-4-6-8-15)18-10-9-16(13-17(18)21)26-20(25)22-2/h4-10,13,19H,11-12,14H2,1-3H3,(H,22,25)/t19?,21-/m0/s1
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n/an/a 161n/an/an/an/a8.037



University of North Carolina at Chapel Hill



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 41: 2371-9 (1998)


Article DOI: 10.1021/jm9800494
BindingDB Entry DOI: 10.7270/Q2W0944J
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10676
PNG
((+)-phenserine | (+)1 | (3aR)-1,3a,8-trimethyl-1H,...)
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-/m1/s1
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n/an/a 2.35E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill



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 41: 2371-9 (1998)


Article DOI: 10.1021/jm9800494
BindingDB Entry DOI: 10.7270/Q2W0944J
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



University of North Carolina at Chapel Hill



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 41: 2371-9 (1998)


Article DOI: 10.1021/jm9800494
BindingDB Entry DOI: 10.7270/Q2W0944J
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



University of North Carolina at Chapel Hill



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 41: 2371-9 (1998)


Article DOI: 10.1021/jm9800494
BindingDB Entry DOI: 10.7270/Q2W0944J
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10679
PNG
((-)-(3aS)-3a-Methyl-1,2,3,3a,8,8a-hexahydropyrrol[...)
Show SMILES C[C@@]12CCNC1Nc1ccc(OC(=O)Nc3ccccc3)cc21
Show InChI InChI=1S/C18H19N3O2/c1-18-9-10-19-16(18)21-15-8-7-13(11-14(15)18)23-17(22)20-12-5-3-2-4-6-12/h2-8,11,16,19,21H,9-10H2,1H3,(H,20,22)/t16?,18-/m0/s1
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n/an/a 897n/an/an/an/an/an/a



University of North Carolina at Chapel Hill



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 41: 2371-9 (1998)


Article DOI: 10.1021/jm9800494
BindingDB Entry DOI: 10.7270/Q2W0944J
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10680
PNG
((+)-N1,N8-bisnorphenserine | (+)9 | (3aR)-3a-methy...)
Show SMILES C[C@]12CCNC1Nc1ccc(OC(=O)Nc3ccccc3)cc21
Show InChI InChI=1S/C18H19N3O2/c1-18-9-10-19-16(18)21-15-8-7-13(11-14(15)18)23-17(22)20-12-5-3-2-4-6-12/h2-8,11,16,19,21H,9-10H2,1H3,(H,20,22)/t16?,18-/m1/s1
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n/an/a 952n/an/an/an/an/an/a



University of North Carolina at Chapel Hill



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 41: 2371-9 (1998)


Article DOI: 10.1021/jm9800494
BindingDB Entry DOI: 10.7270/Q2W0944J
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10681
PNG
((-)-(3aS)-3a-Methyl-1,2,3,3a,8,8a-hexahydropyrrol[...)
Show SMILES CNC(=O)Oc1ccc2NC3NCC[C@@]3(C)c2c1
Show InChI InChI=1S/C13H17N3O2/c1-13-5-6-15-11(13)16-10-4-3-8(7-9(10)13)18-12(17)14-2/h3-4,7,11,15-16H,5-6H2,1-2H3,(H,14,17)/t11?,13-/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



University of North Carolina at Chapel Hill



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 41: 2371-9 (1998)


Article DOI: 10.1021/jm9800494
BindingDB Entry DOI: 10.7270/Q2W0944J
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10682
PNG
((+)-N1,N8-bisnorphysostigmine | (+)10 | (3aR)-3a-m...)
Show SMILES CNC(=O)Oc1ccc2NC3NCC[C@]3(C)c2c1
Show InChI InChI=1S/C13H17N3O2/c1-13-5-6-15-11(13)16-10-4-3-8(7-9(10)13)18-12(17)14-2/h3-4,7,11,15-16H,5-6H2,1-2H3,(H,14,17)/t11?,13-/m1/s1
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n/an/a 237n/an/an/an/an/an/a



University of North Carolina at Chapel Hill



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 41: 2371-9 (1998)


Article DOI: 10.1021/jm9800494
BindingDB Entry DOI: 10.7270/Q2W0944J
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10684
PNG
((-)-(3aS)-1,8-Dibenzyl-3a-methyl-1,2,3,3a,8,8a-hex...)
Show SMILES CNC(=O)Oc1ccc2N(Cc3ccccc3)C3N(Cc4ccccc4)CC[C@@]3(C)c2c1
Show InChI InChI=1S/C27H29N3O2/c1-27-15-16-29(18-20-9-5-3-6-10-20)25(27)30(19-21-11-7-4-8-12-21)24-14-13-22(17-23(24)27)32-26(31)28-2/h3-14,17,25H,15-16,18-19H2,1-2H3,(H,28,31)/t25?,27-/m0/s1
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n/an/a 8.10n/an/an/an/an/an/a



University of North Carolina at Chapel Hill



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 41: 2371-9 (1998)


Article DOI: 10.1021/jm9800494
BindingDB Entry DOI: 10.7270/Q2W0944J
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10685
PNG
((+)-N1,N8-bisbenzylnorphysostigmine | (+)19 | (3aR...)
Show SMILES CNC(=O)Oc1ccc2N(Cc3ccccc3)C3N(Cc4ccccc4)CC[C@]3(C)c2c1
Show InChI InChI=1S/C27H29N3O2/c1-27-15-16-29(18-20-9-5-3-6-10-20)25(27)30(19-21-11-7-4-8-12-21)24-14-13-22(17-23(24)27)32-26(31)28-2/h3-14,17,25H,15-16,18-19H2,1-2H3,(H,28,31)/t25?,27-/m1/s1
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n/an/a 776n/an/an/an/an/an/a



University of North Carolina at Chapel Hill



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 41: 2371-9 (1998)


Article DOI: 10.1021/jm9800494
BindingDB Entry DOI: 10.7270/Q2W0944J
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10686
PNG
((-)-N1-norphenserine | (3aS)-3a,8-dimethyl-1H,2H,3...)
Show SMILES CN1C2NCC[C@@]2(C)c2cc(OC(=O)Nc3ccccc3)ccc12
Show InChI InChI=1S/C19H21N3O2/c1-19-10-11-20-17(19)22(2)16-9-8-14(12-15(16)19)24-18(23)21-13-6-4-3-5-7-13/h3-9,12,17,20H,10-11H2,1-2H3,(H,21,23)/t17?,19-/m0/s1
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n/an/a 612n/an/an/an/an/an/a



University of North Carolina at Chapel Hill



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 41: 2371-9 (1998)


Article DOI: 10.1021/jm9800494
BindingDB Entry DOI: 10.7270/Q2W0944J
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10688
PNG
((-)-N8-norphenserine | (3aS)-1,3a-dimethyl-1H,2H,3...)
Show SMILES CN1CC[C@]2(C)C1Nc1ccc(OC(=O)Nc3ccccc3)cc21
Show InChI InChI=1S/C19H21N3O2/c1-19-10-11-22(2)17(19)21-16-9-8-14(12-15(16)19)24-18(23)20-13-6-4-3-5-7-13/h3-9,12,17,21H,10-11H2,1-2H3,(H,20,23)/t17?,19-/m0/s1
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n/an/a 516n/an/an/an/an/an/a



University of North Carolina at Chapel Hill



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 41: 2371-9 (1998)


Article DOI: 10.1021/jm9800494
BindingDB Entry DOI: 10.7270/Q2W0944J
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10689
PNG
((-)-N8-norphysostigmine | (3aS)-1,3a-dimethyl-1H,2...)
Show SMILES CNC(=O)Oc1ccc2NC3N(C)CC[C@@]3(C)c2c1
Show InChI InChI=1S/C14H19N3O2/c1-14-6-7-17(3)12(14)16-11-5-4-9(8-10(11)14)19-13(18)15-2/h4-5,8,12,16H,6-7H2,1-3H3,(H,15,18)/t12?,14-/m0/s1
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n/an/a 6.80n/an/an/an/an/an/a



University of North Carolina at Chapel Hill



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 41: 2371-9 (1998)


Article DOI: 10.1021/jm9800494
BindingDB Entry DOI: 10.7270/Q2W0944J
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10690
PNG
((-)-N8-benzylnorphysostigmine | (3aS)-1-benzyl-3a,...)
Show SMILES CNC(=O)Oc1ccc2N(C)C3N(Cc4ccccc4)CC[C@@]3(C)c2c1
Show InChI InChI=1S/C21H25N3O2/c1-21-11-12-24(14-15-7-5-4-6-8-15)19(21)23(3)18-10-9-16(13-17(18)21)26-20(25)22-2/h4-10,13,19H,11-12,14H2,1-3H3,(H,22,25)/t19?,21-/m0/s1
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n/an/a 10.4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill



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 41: 2371-9 (1998)


Article DOI: 10.1021/jm9800494
BindingDB Entry DOI: 10.7270/Q2W0944J
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10691
PNG
((-)-N1-benzylnorphysostigmine | (3aS)-8-benzyl-1,3...)
Show SMILES CNC(=O)Oc1ccc2N(Cc3ccccc3)C3N(C)CC[C@@]3(C)c2c1
Show InChI InChI=1S/C21H25N3O2/c1-21-11-12-23(3)19(21)24(14-15-7-5-4-6-8-15)18-10-9-16(13-17(18)21)26-20(25)22-2/h4-10,13,19H,11-12,14H2,1-3H3,(H,22,25)/t19?,21-/m0/s1
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n/an/a 21.8n/an/an/an/an/an/a



University of North Carolina at Chapel Hill



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 41: 2371-9 (1998)


Article DOI: 10.1021/jm9800494
BindingDB Entry DOI: 10.7270/Q2W0944J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM10690
PNG
((-)-N8-benzylnorphysostigmine | (3aS)-1-benzyl-3a,...)
Show SMILES CNC(=O)Oc1ccc2N(C)C3N(Cc4ccccc4)CC[C@@]3(C)c2c1
Show InChI InChI=1S/C21H25N3O2/c1-21-11-12-24(14-15-7-5-4-6-8-15)19(21)23(3)18-10-9-16(13-17(18)21)26-20(25)22-2/h4-10,13,19H,11-12,14H2,1-3H3,(H,22,25)/t19?,21-/m0/s1
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n/an/a 990n/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acetylcholinesterase from electric eel


J Med Chem 31: 2297-300 (1989)


Article DOI: 10.1021/jm00120a008
BindingDB Entry DOI: 10.7270/Q2DZ08WZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10688
PNG
((-)-N8-norphenserine | (3aS)-1,3a-dimethyl-1H,2H,3...)
Show SMILES CN1CC[C@]2(C)C1Nc1ccc(OC(=O)Nc3ccccc3)cc21
Show InChI InChI=1S/C19H21N3O2/c1-19-10-11-22(2)17(19)21-16-9-8-14(12-15(16)19)24-18(23)20-13-6-4-3-5-7-13/h3-9,12,17,21H,10-11H2,1-2H3,(H,20,23)/t17?,19-/m0/s1
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n/an/a 40.8n/an/an/an/an/an/a



National Institute on Aging

Curated by ChEMBL


Assay Description
Inhibition of human acetylcholinesterase from erythrocytes (RBC)


J Med Chem 40: 2895-901 (1997)


Article DOI: 10.1021/jm970210v
BindingDB Entry DOI: 10.7270/Q20V8BW2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10676
PNG
((+)-phenserine | (+)1 | (3aR)-1,3a,8-trimethyl-1H,...)
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-/m1/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



National Institute on Aging

Curated by ChEMBL


Assay Description
Inhibition of human acetylcholinesterase from erythrocytes (RBC)


J Med Chem 40: 2895-901 (1997)


Article DOI: 10.1021/jm970210v
BindingDB Entry DOI: 10.7270/Q20V8BW2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10691
PNG
((-)-N1-benzylnorphysostigmine | (3aS)-8-benzyl-1,3...)
Show SMILES CNC(=O)Oc1ccc2N(Cc3ccccc3)C3N(C)CC[C@@]3(C)c2c1
Show InChI InChI=1S/C21H25N3O2/c1-21-11-12-23(3)19(21)24(14-15-7-5-4-6-8-15)18-10-9-16(13-17(18)21)26-20(25)22-2/h4-10,13,19H,11-12,14H2,1-3H3,(H,22,25)/t19?,21-/m0/s1
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n/an/a 161n/an/an/an/an/an/a



National Institute on Aging

Curated by ChEMBL


Assay Description
Inhibition of human acetylcholinesterase from erythrocytes (RBC)


J Med Chem 40: 2895-901 (1997)


Article DOI: 10.1021/jm970210v
BindingDB Entry DOI: 10.7270/Q20V8BW2
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 Institute on Aging

Curated by ChEMBL


Assay Description
Inhibition of human Butyrylcholinesterase


J Med Chem 40: 2895-901 (1997)


Article DOI: 10.1021/jm970210v
BindingDB Entry DOI: 10.7270/Q20V8BW2
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10689
PNG
((-)-N8-norphysostigmine | (3aS)-1,3a-dimethyl-1H,2...)
Show SMILES CNC(=O)Oc1ccc2NC3N(C)CC[C@@]3(C)c2c1
Show InChI InChI=1S/C14H19N3O2/c1-14-6-7-17(3)12(14)16-11-5-4-9(8-10(11)14)19-13(18)15-2/h4-5,8,12,16H,6-7H2,1-3H3,(H,15,18)/t12?,14-/m0/s1
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PubMed
n/an/a 6.80n/an/an/an/an/an/a



National Institute on Aging

Curated by ChEMBL


Assay Description
Inhibition of human Butyrylcholinesterase


J Med Chem 40: 2895-901 (1997)


Article DOI: 10.1021/jm970210v
BindingDB Entry DOI: 10.7270/Q20V8BW2
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10691
PNG
((-)-N1-benzylnorphysostigmine | (3aS)-8-benzyl-1,3...)
Show SMILES CNC(=O)Oc1ccc2N(Cc3ccccc3)C3N(C)CC[C@@]3(C)c2c1
Show InChI InChI=1S/C21H25N3O2/c1-21-11-12-23(3)19(21)24(14-15-7-5-4-6-8-15)18-10-9-16(13-17(18)21)26-20(25)22-2/h4-10,13,19H,11-12,14H2,1-3H3,(H,22,25)/t19?,21-/m0/s1
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n/an/a 21.8n/an/an/an/an/an/a



National Institute on Aging

Curated by ChEMBL


Assay Description
Inhibition of human Butyrylcholinesterase


J Med Chem 40: 2895-901 (1997)


Article DOI: 10.1021/jm970210v
BindingDB Entry DOI: 10.7270/Q20V8BW2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10689
PNG
((-)-N8-norphysostigmine | (3aS)-1,3a-dimethyl-1H,2...)
Show SMILES CNC(=O)Oc1ccc2NC3N(C)CC[C@@]3(C)c2c1
Show InChI InChI=1S/C14H19N3O2/c1-14-6-7-17(3)12(14)16-11-5-4-9(8-10(11)14)19-13(18)15-2/h4-5,8,12,16H,6-7H2,1-3H3,(H,15,18)/t12?,14-/m0/s1
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n/an/a 56.7n/an/an/an/an/an/a



National Institute on Aging

Curated by ChEMBL


Assay Description
Inhibition of human acetylcholinesterase from erythrocytes (RBC)


J Med Chem 40: 2895-901 (1997)


Article DOI: 10.1021/jm970210v
BindingDB Entry DOI: 10.7270/Q20V8BW2
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10676
PNG
((+)-phenserine | (+)1 | (3aR)-1,3a,8-trimethyl-1H,...)
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-/m1/s1
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n/an/a 2.35E+4n/an/an/an/an/an/a



National Institute on Aging

Curated by ChEMBL


Assay Description
Inhibition of human Butyrylcholinesterase


J Med Chem 40: 2895-901 (1997)


Article DOI: 10.1021/jm970210v
BindingDB Entry DOI: 10.7270/Q20V8BW2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(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 9.89E+3n/an/an/an/an/an/a



National Institute on Aging

Curated by ChEMBL


Assay Description
Inhibition of human acetylcholinesterase from erythrocytes (RBC)


J Med Chem 40: 2895-901 (1997)


Article DOI: 10.1021/jm970210v
BindingDB Entry DOI: 10.7270/Q20V8BW2
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10688
PNG
((-)-N8-norphenserine | (3aS)-1,3a-dimethyl-1H,2H,3...)
Show SMILES CN1CC[C@]2(C)C1Nc1ccc(OC(=O)Nc3ccccc3)cc21
Show InChI InChI=1S/C19H21N3O2/c1-19-10-11-22(2)17(19)21-16-9-8-14(12-15(16)19)24-18(23)20-13-6-4-3-5-7-13/h3-9,12,17,21H,10-11H2,1-2H3,(H,20,23)/t17?,19-/m0/s1
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n/an/a 516n/an/an/an/an/an/a



National Institute on Aging

Curated by ChEMBL


Assay Description
Inhibition of human Butyrylcholinesterase


J Med Chem 40: 2895-901 (1997)


Article DOI: 10.1021/jm970210v
BindingDB Entry DOI: 10.7270/Q20V8BW2
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



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))
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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PubMed
n/an/a 9.89E+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