Compile Data Set for Download or QSAR
Found 5 Enz. Inhib. hit(s) for PDB: 1GPK
TargetAcetylcholinesterase(Tetronarce californica (Pacific electric ray) (Tor...)
Weizmann Institute of Science

LigandPNGBDBM10441((+)-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+
Affinity DataKi:  175nM ΔG°:  -38.2kJ/mole IC50: 414nMpH: 7.0 T: 2°CAssay Description:The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...More data for this Ligand-Target Pair
TargetAcetylcholinesterase(Tetronarce californica (Pacific electric ray) (Tor...)
Weizmann Institute of Science

LigandPNGBDBM10441((+)-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+
Affinity DataKi:  175nM ΔG°:  -38.6kJ/molepH: 7.0 T: 2°CAssay Description:The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...More data for this Ligand-Target Pair
TargetAcetylcholinesterase(Tetronarce californica (Pacific electric ray) (Tor...)
Weizmann Institute of Science

LigandPNGBDBM10441((+)-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+
Affinity DataKi:  4.30E+3nM ΔG°:  -30.6kJ/molepH: 7.0 T: 2°CAssay Description:The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...More data for this Ligand-Target Pair
TargetAcetylcholinesterase(Tetronarce californica (Pacific electric ray) (Tor...)
Weizmann Institute of Science

LigandPNGBDBM10441((+)-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+
Affinity DataKi:  4.30E+6nMAssay Description:Inhibition of Torpedo californica AChEMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Tetronarce californica (Pacific electric ray) (Tor...)
Weizmann Institute of Science

LigandPNGBDBM50199522((+)-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
Affinity DataIC50: 11.4nMAssay Description:Inhibition of Torpedo california AChE by Ellman's methodMore data for this Ligand-Target Pair