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PubMed code 11551765

Compile data set for download or QSAR
Found 7 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetylcholinesterase


(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 |r,c:18,TLB:1:2:11.5.4:17.14.15|
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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PubMed
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


Bioorg Med Chem Lett 11: 2627-30 (2001)


BindingDB Entry DOI: 10.7270/Q2VH5PCN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50104605
PNG
(13-Eth-(E)-ylidene-11-methyl-6-aza-tricyclo[7.3.1....)
Show SMILES C\C=C1/C2Cc3[nH]c(=O)ccc3C1CC(C)=C2 |c:17,TLB:10:11:2:16.14.13|
Show InChI InChI=1S/C15H17NO/c1-3-11-10-6-9(2)7-13(11)12-4-5-15(17)16-14(12)8-10/h3-6,10,13H,7-8H2,1-2H3,(H,16,17)/b11-3+
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2.00E+3n/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


Bioorg Med Chem Lett 11: 2627-30 (2001)


BindingDB Entry DOI: 10.7270/Q2VH5PCN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50104603
PNG
(13-Eth-(Z)-ylidene-11-methyl-6-aza-tricyclo[7.3.1....)
Show SMILES C\C=C1\C2Cc3[nH]c(=O)ccc3C1CC(C)=C2 |c:17,TLB:10:11:2:16.14.13|
Show InChI InChI=1S/C15H17NO/c1-3-11-10-6-9(2)7-13(11)12-4-5-15(17)16-14(12)8-10/h3-6,10,13H,7-8H2,1-2H3,(H,16,17)/b11-3-
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1.23E+4n/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


Bioorg Med Chem Lett 11: 2627-30 (2001)


BindingDB Entry DOI: 10.7270/Q2VH5PCN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50104604
PNG
(11-Methyl-6-aza-tricyclo[7.3.1.0*2,7*]trideca-2(7)...)
Show SMILES CC1=CC2Cc3[nH]c(=O)ccc3C(C1)C2=O |t:1,THB:10:11:14:2.1.13|
Show InChI InChI=1S/C13H13NO2/c1-7-4-8-6-11-9(2-3-12(15)14-11)10(5-7)13(8)16/h2-4,8,10H,5-6H2,1H3,(H,14,15)
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>5.00E+5n/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


Bioorg Med Chem Lett 11: 2627-30 (2001)


BindingDB Entry DOI: 10.7270/Q2VH5PCN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50104605
PNG
(13-Eth-(E)-ylidene-11-methyl-6-aza-tricyclo[7.3.1....)
Show SMILES C\C=C1/C2Cc3[nH]c(=O)ccc3C1CC(C)=C2 |c:17,TLB:10:11:2:16.14.13|
Show InChI InChI=1S/C15H17NO/c1-3-11-10-6-9(2)7-13(11)12-4-5-15(17)16-14(12)8-10/h3-6,10,13H,7-8H2,1-2H3,(H,16,17)/b11-3+
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n/an/a 1.28E+4n/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


Bioorg Med Chem Lett 11: 2627-30 (2001)


BindingDB Entry DOI: 10.7270/Q2VH5PCN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50104603
PNG
(13-Eth-(Z)-ylidene-11-methyl-6-aza-tricyclo[7.3.1....)
Show SMILES C\C=C1\C2Cc3[nH]c(=O)ccc3C1CC(C)=C2 |c:17,TLB:10:11:2:16.14.13|
Show InChI InChI=1S/C15H17NO/c1-3-11-10-6-9(2)7-13(11)12-4-5-15(17)16-14(12)8-10/h3-6,10,13H,7-8H2,1-2H3,(H,16,17)/b11-3-
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n/an/a 5.55E+4n/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


Bioorg Med Chem Lett 11: 2627-30 (2001)


BindingDB Entry DOI: 10.7270/Q2VH5PCN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50104604
PNG
(11-Methyl-6-aza-tricyclo[7.3.1.0*2,7*]trideca-2(7)...)
Show SMILES CC1=CC2Cc3[nH]c(=O)ccc3C(C1)C2=O |t:1,THB:10:11:14:2.1.13|
Show InChI InChI=1S/C13H13NO2/c1-7-4-8-6-11-9(2-3-12(15)14-11)10(5-7)13(8)16/h2-4,8,10H,5-6H2,1H3,(H,14,15)
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n/an/a>5.00E+5n/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


Bioorg Med Chem Lett 11: 2627-30 (2001)


BindingDB Entry DOI: 10.7270/Q2VH5PCN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%