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14 similar compounds to monomer 50304330

Wt: 242.3
BDBM10441
Purchase
Wt: 270.3
BDBM50093799
Wt: 242.3
BDBM50199522
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Wt: 376.4
BDBM50304320
Wt: 373.4
BDBM50304321
Wt: 360.4
BDBM50304322
Wt: 390.4
BDBM50304324
Wt: 390.4
BDBM50304325
Wt: 355.4
BDBM50304326
Wt: 356.4
BDBM50304327
Wt: 426.5
BDBM50304328
Wt: 370.4
BDBM50304329
Wt: 386.4
BDBM50304332
Wt: 242.3
BDBM50342601
Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 88 hits for monomerid = 10441,50093799,50199522,50304320,50304321,50304322,50304324,50304325,50304326,50304327,50304328,50304329,50304332,50342601   
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
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50342601
PNG
(CHEMBL1255901 | Huperzine A)
Show SMILES C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@]1(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+/t10-,15-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE


J Med Chem 51: 3154-70 (2008)

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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4.60n/an/an/an/an/an/an/an/a



Mayo Clinic College of Medicine



Assay Description
Assays were conducted at 25 C in 20 mM sodium phosphate buffer (pH 7.0) and 0.01% bovine serum albumin unless otherwise noted. AChE concentrations we...


Biochemistry 52: 7486-99 (2013)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50342601
PNG
(CHEMBL1255901 | Huperzine A)
Show SMILES C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@]1(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+/t10-,15-/m0/s1
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5.90n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity towards Acetylcholinesterase from fetal bovine serum


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


(Bos taurus (bovine))
BDBM50093799
PNG
((R)-1-Amino-13-eth-(E)-ylidene-8,8,11-trimethyl-6-...)
Show SMILES C\C=C1/C2C=C(C)C[C@]1(N)c1ccc(=O)[nH]c1C2(C)C
Show InChI InChI=1S/C17H22N2O/c1-5-11-13-8-10(2)9-17(11,18)12-6-7-14(20)19-15(12)16(13,3)4/h5-8,13H,9,18H2,1-4H3,(H,19,20)/b11-5+/t13?,17-/m1/s1
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7.70n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity towards Acetylcholinesterase from fetal bovine serum


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


(Bos taurus (bovine))
BDBM50093799
PNG
((R)-1-Amino-13-eth-(E)-ylidene-8,8,11-trimethyl-6-...)
Show SMILES C\C=C1/C2C=C(C)C[C@]1(N)c1ccc(=O)[nH]c1C2(C)C
Show InChI InChI=1S/C17H22N2O/c1-5-11-13-8-10(2)9-17(11,18)12-6-7-14(20)19-15(12)16(13,3)4/h5-8,13H,9,18H2,1-4H3,(H,19,20)/b11-5+/t13?,17-/m1/s1
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16.7n/an/an/an/an/an/an/an/a


TBA

Assay Description
Dissociation constant for the inhibition of fetal bovine serum acetylcholinesterase was determined..


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


(Bos taurus (bovine))
BDBM50342601
PNG
(CHEMBL1255901 | Huperzine A)
Show SMILES C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@]1(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+/t10-,15-/m0/s1
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24n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibitory constant against fetal bovine serum (FBS) acetylcholinesterase


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50342601
PNG
(CHEMBL1255901 | Huperzine A)
Show SMILES C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@]1(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+/t10-,15-/m0/s1
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24n/an/an/an/an/an/an/an/a



Universit£t Wien

Curated by ChEMBL


Assay Description
Compound was tested for its ability to inhibit acetylcholinesterase (AChE) in rat brain; 0.024-0.040 uM


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


(Bos taurus (bovine))
BDBM50342601
PNG
(CHEMBL1255901 | Huperzine A)
Show SMILES C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@]1(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+/t10-,15-/m0/s1
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24n/an/an/an/an/an/an/an/a


TBA

Assay Description
Dissociation constant for the inhibition of fetal bovine serum acetylcholinesterase was determined..


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


(Bos taurus (bovine))
BDBM50093799
PNG
((R)-1-Amino-13-eth-(E)-ylidene-8,8,11-trimethyl-6-...)
Show SMILES C\C=C1/C2C=C(C)C[C@]1(N)c1ccc(=O)[nH]c1C2(C)C
Show InChI InChI=1S/C17H22N2O/c1-5-11-13-8-10(2)9-17(11,18)12-6-7-14(20)19-15(12)16(13,3)4/h5-8,13H,9,18H2,1-4H3,(H,19,20)/b11-5+/t13?,17-/m1/s1
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31n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity towards Acetylcholinesterase from fetal bovine serum


Citation and Details
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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PubMed
47 -9.99n/an/an/an/an/a8.025



Universita di Siena



Assay Description
The cholinesterase assays were performed using colorimetric method reported by E llman. Inhibition of enzyme activity was measured over a substrate c...


J Med Chem 49: 3421-5 (2006)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
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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47.1 -9.89 114n/an/an/an/a7.022



Weizmann Institute of Science



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...


J Am Chem Soc 125: 363-73 (2003)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
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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175 -9.21n/an/an/an/an/a7.025



Weizmann Institute of Science



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...


Biochemistry 41: 10810-8 (2002)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
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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175 -9.12 414n/an/an/an/a7.022



Weizmann Institute of Science



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...


J Am Chem Soc 125: 363-73 (2003)

More data for this
Ligand-Target Pair
Butyrylcholine esterase


(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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>1.00E+3>-8.18n/an/an/an/an/a8.025



Universita di Siena



Assay Description
The cholinesterase assays were performed using colorimetric method reported by E llman. Inhibition of enzyme activity was measured over a substrate c...


J Med Chem 49: 3421-5 (2006)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
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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4.30E+3 -7.32n/an/an/an/an/a7.025



Weizmann Institute of Science



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...


Biochemistry 41: 10810-8 (2002)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
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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PubMed
n/an/a 72.4n/an/an/an/a7.437



Shanghai Institute of Materia Medica



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


J Med Chem 48: 655-7 (2005)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
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 7.02E+4n/an/an/an/a7.437



Shanghai Institute of Materia Medica



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


J Med Chem 48: 655-7 (2005)

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/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 45: 3684-91 (2002)

More data for this
Ligand-Target Pair
Butyrylcholine esterase


(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>1.00E+4n/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 45: 3684-91 (2002)

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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PubMed
n/an/a 260n/an/an/an/a8.025



Universitat de Barcelona



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


J Med Chem 48: 1701-4 (2005)

More data for this
Ligand-Target Pair
Butyrylcholine esterase


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



Universitat de Barcelona



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


J Med Chem 48: 1701-4 (2005)

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



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)

More data for this
Ligand-Target Pair
Butyrylcholine esterase


(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>1.00E+4n/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)

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 648n/an/an/an/an/an/a



Shenyang Pharmaceutical University



Assay Description
The reaction mixture was consisted of 100 ÁL of the total volume. To the solution of PBS (pH 8.0, 30 ÁL) consisted of KH2PO4 and K2HPO4 in 96-well pl...


Bioorg Chem 68: 112-123 (2016)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50342601
PNG
(CHEMBL1255901 | Huperzine A)
Show SMILES C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@]1(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+/t10-,15-/m0/s1
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n/an/a 114n/an/an/an/an/an/a



Hong Kong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory potency against acetylcholinesterase (AChE) of rat cortex homogenate with ethopropazine as BChE inhibitor


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50342601
PNG
(CHEMBL1255901 | Huperzine A)
Show SMILES C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@]1(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+/t10-,15-/m0/s1
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n/an/a 1.35E+5n/an/an/an/an/an/a



Hong Kong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory potency against rat serum Butyrylcholinesterase with BW284c51 as AChE inhibitor


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


(Homo sapiens (human))
BDBM50342601
PNG
(CHEMBL1255901 | Huperzine A)
Show SMILES C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@]1(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+/t10-,15-/m0/s1
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n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibitory activity against Acetylcholinesterase (AChE).


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


(Bos taurus (bovine))
BDBM50093799
PNG
((R)-1-Amino-13-eth-(E)-ylidene-8,8,11-trimethyl-6-...)
Show SMILES C\C=C1/C2C=C(C)C[C@]1(N)c1ccc(=O)[nH]c1C2(C)C
Show InChI InChI=1S/C17H22N2O/c1-5-11-13-8-10(2)9-17(11,18)12-6-7-14(20)19-15(12)16(13,3)4/h5-8,13H,9,18H2,1-4H3,(H,19,20)/b11-5+/t13?,17-/m1/s1
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n/an/an/an/an/a 0.000217 0.0130n/an/a


TBA

Assay Description
Dissociation constant for the inhibition of fetal bovine serum acetylcholinesterase was determined..


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


(Bos taurus (bovine))
BDBM50342601
PNG
(CHEMBL1255901 | Huperzine A)
Show SMILES C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@]1(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+/t10-,15-/m0/s1
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n/an/an/an/an/a 0.000367 0.0155n/an/a


TBA

Assay Description
Dissociation constant for the inhibition of fetal bovine serum acetylcholinesterase was determined..


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


(Homo sapiens (human))
BDBM50342601
PNG
(CHEMBL1255901 | Huperzine A)
Show SMILES C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@]1(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+/t10-,15-/m0/s1
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n/an/a 150n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against acetylcholinesterase in human RBC


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50342601
PNG
(CHEMBL1255901 | Huperzine A)
Show SMILES C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@]1(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+/t10-,15-/m0/s1
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n/an/a 94n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against acetylcholinesterase in rat brain


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50342601
PNG
(CHEMBL1255901 | Huperzine A)
Show SMILES C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@]1(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+/t10-,15-/m0/s1
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n/an/a 45n/an/an/an/an/an/a



Mayo Clinic Jacksonville

Curated by ChEMBL


Assay Description
Compound was tested for its ability to inhibit the action of acetylcholinesterase isolated from rat brain cortex


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50342601
PNG
(CHEMBL1255901 | Huperzine A)
Show SMILES C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@]1(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+/t10-,15-/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
The compound was tested for Butyrylcholinesterase inhibitory activity in rat striatal homogenates


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50342601
PNG
(CHEMBL1255901 | Huperzine A)
Show SMILES C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@]1(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+/t10-,15-/m0/s1
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n/an/a 80n/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Acetylcholinesterase inhibitory activity in rat striatal homogenates


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50342601
PNG
(CHEMBL1255901 | Huperzine A)
Show SMILES C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@]1(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+/t10-,15-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of rat AChE


J Med Chem 51: 3154-70 (2008)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50342601
PNG
(CHEMBL1255901 | Huperzine A)
Show SMILES C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@]1(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+/t10-,15-/m0/s1
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n/an/a 0.540n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (unknown origin) assessed as inhibition of acetylcholine hydrolysis after 30 mins by Ellmann's method


J Nat Prod 77: 2054-9 (2014)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50199522
PNG
((+)-huperzine A | (+-)-HA | (-)-1-Amino-13-ethylid...)
Show SMILES C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@@]1(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+/t10-,15+/m0/s1
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n/an/a 72.4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat cortex at pH 5


Bioorg Med Chem 15: 1394-408 (2007)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50199522
PNG
((+)-huperzine A | (+-)-HA | (-)-1-Amino-13-ethylid...)
Show SMILES C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@@]1(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+/t10-,15+/m0/s1
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n/an/a 7.02E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of BuChE in rat serum


Bioorg Med Chem 15: 1394-408 (2007)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50199522
PNG
((+)-huperzine A | (+-)-HA | (-)-1-Amino-13-ethylid...)
Show SMILES C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@@]1(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+/t10-,15+/m0/s1
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n/an/a 74n/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
Inhibition of bovine AChE by Ellman's method


Bioorg Med Chem 16: 7450-6 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Homo sapiens (human))
BDBM50342601
PNG
(CHEMBL1255901 | Huperzine A)
Show SMILES C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@]1(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+/t10-,15-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Alchemical Research, LLC

Curated by ChEMBL


Assay Description
Inhibition of AChE (unknown origin)


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


(Homo sapiens (human))
BDBM50199522
PNG
((+)-huperzine A | (+-)-HA | (-)-1-Amino-13-ethylid...)
Show SMILES C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@@]1(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+/t10-,15+/m0/s1
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n/an/a 600n/an/an/an/an/an/a



Fujian Normal University

Curated by ChEMBL


Assay Description
Inhibition of human acetylcholinesterase after 30 mins by microplate reader-based Ellman's method


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


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50304320
PNG
((1R,9R)-13-Eth-(E)-ylidene-1-{[1-(4-hydroxy-3-meth...)
Show SMILES COc1cc(\C=N\[C@@]23CC(C)=C[C@@H](Cc4[nH]c(=O)ccc24)\C3=C/C)ccc1O
Show InChI InChI=1S/C23H24N2O3/c1-4-17-16-9-14(2)12-23(17,18-6-8-22(27)25-19(18)11-16)24-13-15-5-7-20(26)21(10-15)28-3/h4-10,13,16,26H,11-12H2,1-3H3,(H,25,27)/b17-4+,24-13+/t16-,23+/m0/s1
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n/an/a 6.70n/an/an/an/an/an/a



The Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Torpedo california AChE by Ellman's method


Bioorg Med Chem 17: 6937-41 (2009)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50304321
PNG
((1R,9R)-1-{[1-(4-Dimethylamino-phenyl)-methylidene...)
Show SMILES C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@]1(CC(C)=C2)\N=C\c1ccc(cc1)N(C)C
Show InChI InChI=1S/C24H27N3O/c1-5-20-18-12-16(2)14-24(20,21-10-11-23(28)26-22(21)13-18)25-15-17-6-8-19(9-7-17)27(3)4/h5-12,15,18H,13-14H2,1-4H3,(H,26,28)/b20-5+,25-15+/t18-,24+/m0/s1
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n/an/a 23.3n/an/an/an/an/an/a



The Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Torpedo california AChE by Ellman's method


Bioorg Med Chem 17: 6937-41 (2009)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50304322
PNG
((1R,9R)-13-Eth-(E)-ylidene-1-{[1-(4-methoxy-phenyl...)
Show SMILES COc1ccc(\C=N\[C@@]23CC(C)=C[C@@H](Cc4[nH]c(=O)ccc24)\C3=C/C)cc1
Show InChI InChI=1S/C23H24N2O2/c1-4-19-17-11-15(2)13-23(19,20-9-10-22(26)25-21(20)12-17)24-14-16-5-7-18(27-3)8-6-16/h4-11,14,17H,12-13H2,1-3H3,(H,25,26)/b19-4+,24-14+/t17-,23+/m0/s1
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n/an/a 0.0246n/an/an/an/an/an/a



The Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Torpedo california AChE by Ellman's method


Bioorg Med Chem 17: 6937-41 (2009)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50304324
PNG
((1R,9R)-1-{[1-(3,5-Dimethoxy-phenyl)-methylidene]-...)
Show SMILES COc1cc(OC)cc(\C=N\[C@@]23CC(C)=C[C@@H](Cc4[nH]c(=O)ccc24)\C3=C/C)c1
Show InChI InChI=1S/C24H26N2O3/c1-5-20-17-8-15(2)13-24(20,21-6-7-23(27)26-22(21)11-17)25-14-16-9-18(28-3)12-19(10-16)29-4/h5-10,12,14,17H,11,13H2,1-4H3,(H,26,27)/b20-5+,25-14+/t17-,24+/m0/s1
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n/an/a 0.0200n/an/an/an/an/an/a



The Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Torpedo california AChE by Ellman's method


Bioorg Med Chem 17: 6937-41 (2009)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50304325
PNG
(1-{[1-(2,4-Dimethoxy-phenyl)-methylidene]-amino}-1...)
Show SMILES COc1ccc(\C=N\[C@@]23CC(C)=C[C@@H](Cc4[nH]c(=O)ccc24)\C3=C/C)c(OC)c1
Show InChI InChI=1S/C24H26N2O3/c1-5-19-17-10-15(2)13-24(19,20-8-9-23(27)26-21(20)11-17)25-14-16-6-7-18(28-3)12-22(16)29-4/h5-10,12,14,17H,11,13H2,1-4H3,(H,26,27)/b19-5+,25-14+/t17-,24+/m0/s1
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n/an/a 0.0446n/an/an/an/an/an/a



The Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Torpedo california AChE by Ellman's method


Bioorg Med Chem 17: 6937-41 (2009)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50304326
PNG
(4-{[13-Ethylidene-11-methyl-5-oxo-6-aza-tricyclo[7...)
Show SMILES C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@]1(CC(C)=C2)\N=C\c1ccc(cc1)C#N
Show InChI InChI=1S/C23H21N3O/c1-3-19-18-10-15(2)12-23(19,20-8-9-22(27)26-21(20)11-18)25-14-17-6-4-16(13-24)5-7-17/h3-10,14,18H,11-12H2,1-2H3,(H,26,27)/b19-3+,25-14+/t18-,23+/m0/s1
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n/an/a 0.0412n/an/an/an/an/an/a



The Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Torpedo california AChE by Ellman's method


Bioorg Med Chem 17: 6937-41 (2009)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50304327
PNG
(13-Ethylidene-11-methyl-1-[3-phenyl-prop-2-enylide...)
Show SMILES C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@]1(CC(C)=C2)\N=C\C=C\c1ccccc1
Show InChI InChI=1S/C24H24N2O/c1-3-20-19-14-17(2)16-24(20,21-11-12-23(27)26-22(21)15-19)25-13-7-10-18-8-5-4-6-9-18/h3-14,19H,15-16H2,1-2H3,(H,26,27)/b10-7+,20-3+,25-13+/t19-,24+/m0/s1
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n/an/a 1.81n/an/an/an/an/an/a



The Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Torpedo california AChE by Ellman's method


Bioorg Med Chem 17: 6937-41 (2009)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50304328
PNG
(13-Ethylidene-11-methyl-1-[2-[1-phenyl-methylidene...)
Show SMILES CCCCC\C(\C=N\[C@@]12CC(C)=C[C@@H](Cc3[nH]c(=O)ccc13)\C2=C/C)=C/c1ccccc1
Show InChI InChI=1S/C29H34N2O/c1-4-6-8-13-23(17-22-11-9-7-10-12-22)20-30-29-19-21(3)16-24(25(29)5-2)18-27-26(29)14-15-28(32)31-27/h5,7,9-12,14-17,20,24H,4,6,8,13,18-19H2,1-3H3,(H,31,32)/b23-17+,25-5+,30-20+/t24-,29+/m0/s1
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n/an/a 796n/an/an/an/an/an/a



The Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Torpedo california AChE by Ellman's method


Bioorg Med Chem 17: 6937-41 (2009)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50304329
PNG
(13-Ethylidene-11-methyl-1-[2-methyl-3-phenyl-prop-...)
Show SMILES C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@]1(CC(C)=C2)\N=C\C(\C)=C\c1ccccc1
Show InChI InChI=1S/C25H26N2O/c1-4-21-20-13-17(2)15-25(21,22-10-11-24(28)27-23(22)14-20)26-16-18(3)12-19-8-6-5-7-9-19/h4-13,16,20H,14-15H2,1-3H3,(H,27,28)/b18-12+,21-4+,26-16+/t20-,25+/m0/s1
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n/an/a 1.63n/an/an/an/an/an/a



The Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Torpedo california AChE by Ellman's method


Bioorg Med Chem 17: 6937-41 (2009)

More data for this
Ligand-Target Pair
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