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PubMed code 1766006

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
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
PDB
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PubMed
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


(Rattus norvegicus (rat))
BDBM50008685
PNG
(1-Amino-13-ethylidene-11-methyl-6-aza-tricyclo[7.3...)
Show SMILES C\C=C1/C2CC(C)C[C@]1(N)c1ccc(=O)[nH]c1C2
Show InChI InChI=1S/C15H20N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-5,9-10H,6-8,16H2,1-2H3,(H,17,18)/b11-3+/t9?,10?,15-/m1/s1
PDB
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n/an/a 1.63E+3n/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


(Rattus norvegicus (rat))
BDBM50008685
PNG
(1-Amino-13-ethylidene-11-methyl-6-aza-tricyclo[7.3...)
Show SMILES C\C=C1/C2CC(C)C[C@]1(N)c1ccc(=O)[nH]c1C2
Show InChI InChI=1S/C15H20N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-5,9-10H,6-8,16H2,1-2H3,(H,17,18)/b11-3+/t9?,10?,15-/m1/s1
PDB
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PubMed
n/an/a 1.63E+3n/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


(Rattus norvegicus (rat))
BDBM50008689
PNG
(1-Amino-13-ethylidene-6-aza-tricyclo[7.3.1.0*2,7*]...)
Show SMILES C\C=C1/C2CCC[C@]1(N)c1ccc(=O)[nH]c1C2
Show InChI InChI=1S/C14H18N2O/c1-2-10-9-4-3-7-14(10,15)11-5-6-13(17)16-12(11)8-9/h2,5-6,9H,3-4,7-8,15H2,1H3,(H,16,17)/b10-2+/t9?,14-/m1/s1
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n/an/a 9.82E+3n/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


(Rattus norvegicus (rat))
BDBM50008684
PNG
(5-Amino-6-ethylidene-5-methyl-5,6,7,8-tetrahydro-1...)
Show SMILES C\C=C1/CCc2[nH]c(=O)ccc2[C@]1(C)N
Show InChI InChI=1S/C12H16N2O/c1-3-8-4-6-10-9(12(8,2)13)5-7-11(15)14-10/h3,5,7H,4,6,13H2,1-2H3,(H,14,15)/b8-3+/t12-/m1/s1
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PubMed
n/an/a 3.38E+5n/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


(Rattus norvegicus (rat))
BDBM50008688
PNG
(5-Aminomethyl-1H-pyridin-2-one | CHEMBL323807)
Show SMILES NCc1ccc(=O)[nH]c1
Show InChI InChI=1S/C6H8N2O/c7-3-5-1-2-6(9)8-4-5/h1-2,4H,3,7H2,(H,8,9)
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PubMed
n/an/a>9.00E+5n/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


(Rattus norvegicus (rat))
BDBM50008687
PNG
(5-Dimethylaminomethyl-1H-pyridin-2-one | CHEMBL323...)
Show SMILES CN(C)Cc1ccc(=O)[nH]c1
Show InChI InChI=1S/C8H12N2O/c1-10(2)6-7-3-4-8(11)9-5-7/h3-5H,6H2,1-2H3,(H,9,11)
PDB
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PubMed
n/an/a>9.00E+5n/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
* indicates data uncertainty>20%