Compile Data Set for Download or QSAR

Found 17 hits with Last Name = 'ajavakom' and Initial = 'v'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50433757 (CHEMBL2381443) Show SMILES COc1ccc(cc1)C1NC(=O)N=C(CCc2ccc(O)cc2)C1C(=O)CCc1ccc(O)cc1 |t:13| Show InChI InChI=1S/C28H28N2O5/c1-35-23-14-8-20(9-15-23)27-26(25(33)17-7-19-4-12-22(32)13-5-19)24(29-28(34)30-27)16-6-18-2-10-21(31)11-3-18/h2-5,8-15,26-27,31-32H,6-7,16-17H2,1H3,(H,30,34)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ramkhamhaeng University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method				Bioorg Med Chem Lett 23: 2880-2 (2013) Article DOI: 10.1016/j.bmcl.2013.03.069 BindingDB Entry DOI: 10.7270/Q22Z16WD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM10404 ((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...) Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12| Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ramkhamhaeng University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method				Bioorg Med Chem Lett 23: 2880-2 (2013) Article DOI: 10.1016/j.bmcl.2013.03.069 BindingDB Entry DOI: 10.7270/Q22Z16WD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50433756 (CHEMBL2381442) Show SMILES Oc1ccc(CCC(=O)C2C(NC(=O)N=C2CCc2ccc(O)cc2)c2ccccc2)cc1 |c:14| Show InChI InChI=1S/C27H26N2O4/c30-21-12-6-18(7-13-21)10-16-23-25(24(32)17-11-19-8-14-22(31)15-9-19)26(29-27(33)28-23)20-4-2-1-3-5-20/h1-9,12-15,25-26,30-31H,10-11,16-17H2,(H,29,33)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ramkhamhaeng University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method				Bioorg Med Chem Lett 23: 2880-2 (2013) Article DOI: 10.1016/j.bmcl.2013.03.069 BindingDB Entry DOI: 10.7270/Q22Z16WD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50433755 (CHEMBL2381440) Show SMILES COc1ccc(cc1)C1NC(=O)N=C(CCc2ccc(O)cc2)C1C(=O)CCc1ccc(O)c(OC)c1 |t:13| Show InChI InChI=1S/C29H30N2O6/c1-36-22-12-8-20(9-13-22)28-27(25(34)16-7-19-6-15-24(33)26(17-19)37-2)23(30-29(35)31-28)14-5-18-3-10-21(32)11-4-18/h3-4,6,8-13,15,17,27-28,32-33H,5,7,14,16H2,1-2H3,(H,31,35)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ramkhamhaeng University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method				Bioorg Med Chem Lett 23: 2880-2 (2013) Article DOI: 10.1016/j.bmcl.2013.03.069 BindingDB Entry DOI: 10.7270/Q22Z16WD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50433754 (LETESTUIANIN C | Tetrahydrobisdemethoxycurcumin) Show SMILES Oc1ccc(CCC(=O)CC(=O)CCc2ccc(O)cc2)cc1 Show InChI InChI=1S/C19H20O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-4,7-10,20-21H,5-6,11-13H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ramkhamhaeng University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method				Bioorg Med Chem Lett 23: 2880-2 (2013) Article DOI: 10.1016/j.bmcl.2013.03.069 BindingDB Entry DOI: 10.7270/Q22Z16WD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50433753 (CHEMBL2381441) Show SMILES COc1ccc(cc1)C1NC(=O)N=C(CCc2ccc(O)c(OC)c2)C1C(=O)CCc1ccc(O)cc1 |t:13| Show InChI InChI=1S/C29H30N2O6/c1-36-22-12-8-20(9-13-22)28-27(25(34)16-6-18-3-10-21(32)11-4-18)23(30-29(35)31-28)14-5-19-7-15-24(33)26(17-19)37-2/h3-4,7-13,15,17,27-28,32-33H,5-6,14,16H2,1-2H3,(H,31,35)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ramkhamhaeng University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method				Bioorg Med Chem Lett 23: 2880-2 (2013) Article DOI: 10.1016/j.bmcl.2013.03.069 BindingDB Entry DOI: 10.7270/Q22Z16WD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50433752 (CHEMBL2381438) Show SMILES COc1cc(CCC(=O)C2C(NC(=O)N=C2CCc2ccc(O)cc2)c2ccccc2)ccc1O |c:14| Show InChI InChI=1S/C28H28N2O5/c1-35-25-17-19(10-15-23(25)32)11-16-24(33)26-22(14-9-18-7-12-21(31)13-8-18)29-28(34)30-27(26)20-5-3-2-4-6-20/h2-8,10,12-13,15,17,26-27,31-32H,9,11,14,16H2,1H3,(H,30,34)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ramkhamhaeng University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method				Bioorg Med Chem Lett 23: 2880-2 (2013) Article DOI: 10.1016/j.bmcl.2013.03.069 BindingDB Entry DOI: 10.7270/Q22Z16WD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50433751 (CHEMBL2381434) Show SMILES COc1ccc(cc1)C1NC(=O)N=C(CCc2ccc(O)c(OC)c2)C1C(=O)CCc1ccc(O)c(OC)c1 |t:13| Show InChI InChI=1S/C30H32N2O7/c1-37-21-10-8-20(9-11-21)29-28(25(35)15-7-19-6-14-24(34)27(17-19)39-3)22(31-30(36)32-29)12-4-18-5-13-23(33)26(16-18)38-2/h5-6,8-11,13-14,16-17,28-29,33-34H,4,7,12,15H2,1-3H3,(H,32,36)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.43E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ramkhamhaeng University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method				Bioorg Med Chem Lett 23: 2880-2 (2013) Article DOI: 10.1016/j.bmcl.2013.03.069 BindingDB Entry DOI: 10.7270/Q22Z16WD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50433750 (CHEMBL2381433) Show SMILES COc1cc(CCC(=O)C2C(NC(=O)N=C2CCc2ccc(O)c(OC)c2)c2ccc(O)cc2)ccc1O |c:14| Show InChI InChI=1S/C29H30N2O7/c1-37-25-15-17(4-12-22(25)33)3-11-21-27(24(35)14-6-18-5-13-23(34)26(16-18)38-2)28(31-29(36)30-21)19-7-9-20(32)10-8-19/h4-5,7-10,12-13,15-16,27-28,32-34H,3,6,11,14H2,1-2H3,(H,31,36)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.73E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ramkhamhaeng University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method				Bioorg Med Chem Lett 23: 2880-2 (2013) Article DOI: 10.1016/j.bmcl.2013.03.069 BindingDB Entry DOI: 10.7270/Q22Z16WD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50059989 ((1E,4Z,6E)-5-Hydroxy-1,7-bis-(4-hydroxy-phenyl)-he...) Show SMILES Oc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)cc1 |w:12.11,5.4| Show InChI InChI=1S/C19H16O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-12,20-21H,13H2	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.83E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ramkhamhaeng University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method				Bioorg Med Chem Lett 23: 2880-2 (2013) Article DOI: 10.1016/j.bmcl.2013.03.069 BindingDB Entry DOI: 10.7270/Q22Z16WD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50433749 (TETRAHYDRODEMETHOXYCURCUMIN) Show SMILES COc1cc(CCC(=O)CC(=O)CCc2ccc(O)cc2)ccc1O Show InChI InChI=1S/C20H22O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-3,6-8,11-12,21,24H,4-5,9-10,13H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ramkhamhaeng University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method				Bioorg Med Chem Lett 23: 2880-2 (2013) Article DOI: 10.1016/j.bmcl.2013.03.069 BindingDB Entry DOI: 10.7270/Q22Z16WD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50433748 (CHEMBL2381439) Show SMILES COc1cc(CCC2=NC(=O)NC(C2C(=O)CCc2ccc(O)cc2)c2ccccc2)ccc1O |t:7| Show InChI InChI=1S/C28H28N2O5/c1-35-25-17-19(11-15-23(25)32)9-14-22-26(24(33)16-10-18-7-12-21(31)13-8-18)27(30-28(34)29-22)20-5-3-2-4-6-20/h2-8,11-13,15,17,26-27,31-32H,9-10,14,16H2,1H3,(H,30,34)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ramkhamhaeng University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method				Bioorg Med Chem Lett 23: 2880-2 (2013) Article DOI: 10.1016/j.bmcl.2013.03.069 BindingDB Entry DOI: 10.7270/Q22Z16WD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50433747 (CHEMBL2381430) Show SMILES COc1cc(CCC(=O)C2C(NC(=O)N=C2CCc2ccc(O)c(OC)c2)c2ccccc2)ccc1O |c:14| Show InChI InChI=1S/C29H30N2O6/c1-36-25-16-18(9-13-22(25)32)8-12-21-27(28(31-29(35)30-21)20-6-4-3-5-7-20)24(34)15-11-19-10-14-23(33)26(17-19)37-2/h3-7,9-10,13-14,16-17,27-28,32-33H,8,11-12,15H2,1-2H3,(H,31,35)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ramkhamhaeng University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method				Bioorg Med Chem Lett 23: 2880-2 (2013) Article DOI: 10.1016/j.bmcl.2013.03.069 BindingDB Entry DOI: 10.7270/Q22Z16WD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50163744 ((1E,4Z,6E)-5-Hydroxy-1-(4-hydroxy-3-methoxy-phenyl...) Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)ccc1O |w:6.6,13.13| Show InChI InChI=1S/C20H18O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-12,21,24H,13H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.77E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ramkhamhaeng University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method				Bioorg Med Chem Lett 23: 2880-2 (2013) Article DOI: 10.1016/j.bmcl.2013.03.069 BindingDB Entry DOI: 10.7270/Q22Z16WD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50059985 (1,7-Bis-(4-hydroxy-3-methoxy-phenyl)-heptane-3,5-d...) Show SMILES COc1cc(CCC(=O)CC(=O)CCc2ccc(O)c(OC)c2)ccc1O Show InChI InChI=1S/C21H24O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h5-6,9-12,24-25H,3-4,7-8,13H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ramkhamhaeng University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method				Bioorg Med Chem Lett 23: 2880-2 (2013) Article DOI: 10.1016/j.bmcl.2013.03.069 BindingDB Entry DOI: 10.7270/Q22Z16WD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50433746 (CHEMBL2381437) Show SMILES COc1cc(CCC(=O)C2C(NC(=O)N=C2CCc2ccc(O)c(OC)c2)c2ccc(O)c(OC)c2)ccc1O |c:14| Show InChI InChI=1S/C30H32N2O8/c1-38-25-14-17(5-10-21(25)33)4-9-20-28(24(36)12-7-18-6-11-22(34)26(15-18)39-2)29(32-30(37)31-20)19-8-13-23(35)27(16-19)40-3/h5-6,8,10-11,13-16,28-29,33-35H,4,7,9,12H2,1-3H3,(H,32,37)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.64E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ramkhamhaeng University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method				Bioorg Med Chem Lett 23: 2880-2 (2013) Article DOI: 10.1016/j.bmcl.2013.03.069 BindingDB Entry DOI: 10.7270/Q22Z16WD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50067040 (((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...) Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:12.11,5.4| Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	8.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ramkhamhaeng University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method				Bioorg Med Chem Lett 23: 2880-2 (2013) Article DOI: 10.1016/j.bmcl.2013.03.069 BindingDB Entry DOI: 10.7270/Q22Z16WD
					More data for this Ligand-Target Pair