Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with all data for entry = 8163   

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
Cholinesterase (Equus caballus (Horse))	BDBM10620 ((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...) Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1 Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	8.0	37
Sun Yat-sen University					Assay Description All the assays were under 0.1 M KH2PO4/K2HPO4 buffer, pH 8.0, using a Shimadzu 2450 Spectrophotometer. Enzyme solutions were prepared to give 2.0 uni...				J Enzyme Inhib Med Chem 26: 706-11 (2011) Article DOI: 10.3109/14756366.2010.548329 BindingDB Entry DOI: 10.7270/Q29022NH
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM235650 (N1,N6-bis((7-methoxybenzo[d][1,3]dioxol-5-yl)methy...) Show SMILES COc1cc(CNCCCCCCNCc2cc3OCOc3c(OC)c2)cc2OCOc12 Show InChI InChI=1S/C24H32N2O6/c1-27-19-9-17(11-21-23(19)31-15-29-21)13-25-7-5-3-4-6-8-26-14-18-10-20(28-2)24-22(12-18)30-16-32-24/h9-12,25-26H,3-8,13-16H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.07E+3	n/a	n/a	n/a	n/a	8.0	37
Sun Yat-sen University					Assay Description All the assays were under 0.1 M KH2PO4/K2HPO4 buffer, pH 8.0, using a Shimadzu 2450 Spectrophotometer. Enzyme solutions were prepared to give 2.0 uni...				J Enzyme Inhib Med Chem 26: 706-11 (2011) Article DOI: 10.3109/14756366.2010.548329 BindingDB Entry DOI: 10.7270/Q29022NH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM235653 (N1,N9-bis((7-methoxybenzo[d][1,3]dioxol-5-yl)methy...) Show SMILES COc1cc(CNCCCCCCCCCNCc2cc3OCOc3c(OC)c2)cc2OCOc12 Show InChI InChI=1S/C27H38N2O6/c1-30-22-12-20(14-24-26(22)34-18-32-24)16-28-10-8-6-4-3-5-7-9-11-29-17-21-13-23(31-2)27-25(15-21)33-19-35-27/h12-15,28-29H,3-11,16-19H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.76E+3	n/a	n/a	n/a	n/a	8.0	37
Sun Yat-sen University					Assay Description All the assays were under 0.1 M KH2PO4/K2HPO4 buffer, pH 8.0, using a Shimadzu 2450 Spectrophotometer. Enzyme solutions were prepared to give 2.0 uni...				J Enzyme Inhib Med Chem 26: 706-11 (2011) Article DOI: 10.3109/14756366.2010.548329 BindingDB Entry DOI: 10.7270/Q29022NH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM235652 (N1, N8-bis((7-methoxybenzo[d][1,3]dioxol-5-yl)meth...) Show SMILES COc1cc(CNCCCCCCCCNCc2cc3OCOc3c(OC)c2)cc2OCOc12 Show InChI InChI=1S/C26H36N2O6/c1-29-21-11-19(13-23-25(21)33-17-31-23)15-27-9-7-5-3-4-6-8-10-28-16-20-12-22(30-2)26-24(14-20)32-18-34-26/h11-14,27-28H,3-10,15-18H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.79E+3	n/a	n/a	n/a	n/a	8.0	37
Sun Yat-sen University					Assay Description All the assays were under 0.1 M KH2PO4/K2HPO4 buffer, pH 8.0, using a Shimadzu 2450 Spectrophotometer. Enzyme solutions were prepared to give 2.0 uni...				J Enzyme Inhib Med Chem 26: 706-11 (2011) Article DOI: 10.3109/14756366.2010.548329 BindingDB Entry DOI: 10.7270/Q29022NH
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM235651 (N1,N7-bis((7-methoxybenzo[d][1,3]dioxol-5-yl)methy...) Show SMILES COc1cc(CNCCCCCCCNCc2cc3OCOc3c(OC)c2)cc2OCOc12 Show InChI InChI=1S/C25H34N2O6/c1-28-20-10-18(12-22-24(20)32-16-30-22)14-26-8-6-4-3-5-7-9-27-15-19-11-21(29-2)25-23(13-19)31-17-33-25/h10-13,26-27H,3-9,14-17H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.02E+3	n/a	n/a	n/a	n/a	8.0	37
Sun Yat-sen University					Assay Description All the assays were under 0.1 M KH2PO4/K2HPO4 buffer, pH 8.0, using a Shimadzu 2450 Spectrophotometer. Enzyme solutions were prepared to give 2.0 uni...				J Enzyme Inhib Med Chem 26: 706-11 (2011) Article DOI: 10.3109/14756366.2010.548329 BindingDB Entry DOI: 10.7270/Q29022NH
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM235652 (N1, N8-bis((7-methoxybenzo[d][1,3]dioxol-5-yl)meth...) Show SMILES COc1cc(CNCCCCCCCCNCc2cc3OCOc3c(OC)c2)cc2OCOc12 Show InChI InChI=1S/C26H36N2O6/c1-29-21-11-19(13-23-25(21)33-17-31-23)15-27-9-7-5-3-4-6-8-10-28-16-20-12-22(30-2)26-24(14-20)32-18-34-26/h11-14,27-28H,3-10,15-18H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.11E+3	n/a	n/a	n/a	n/a	8.0	37
Sun Yat-sen University					Assay Description All the assays were under 0.1 M KH2PO4/K2HPO4 buffer, pH 8.0, using a Shimadzu 2450 Spectrophotometer. Enzyme solutions were prepared to give 2.0 uni...				J Enzyme Inhib Med Chem 26: 706-11 (2011) Article DOI: 10.3109/14756366.2010.548329 BindingDB Entry DOI: 10.7270/Q29022NH
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM235649 (N1,N5-bis((7-methoxybenzo[d][1,3]dioxol-5-yl)methy...) Show SMILES COc1cc(CNCCCCCNCc2cc3OCOc3c(OC)c2)cc2OCOc12 Show InChI InChI=1S/C23H30N2O6/c1-26-18-8-16(10-20-22(18)30-14-28-20)12-24-6-4-3-5-7-25-13-17-9-19(27-2)23-21(11-17)29-15-31-23/h8-11,24-25H,3-7,12-15H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.35E+3	n/a	n/a	n/a	n/a	8.0	37
Sun Yat-sen University					Assay Description All the assays were under 0.1 M KH2PO4/K2HPO4 buffer, pH 8.0, using a Shimadzu 2450 Spectrophotometer. Enzyme solutions were prepared to give 2.0 uni...				J Enzyme Inhib Med Chem 26: 706-11 (2011) Article DOI: 10.3109/14756366.2010.548329 BindingDB Entry DOI: 10.7270/Q29022NH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM235651 (N1,N7-bis((7-methoxybenzo[d][1,3]dioxol-5-yl)methy...) Show SMILES COc1cc(CNCCCCCCCNCc2cc3OCOc3c(OC)c2)cc2OCOc12 Show InChI InChI=1S/C25H34N2O6/c1-28-20-10-18(12-22-24(20)32-16-30-22)14-26-8-6-4-3-5-7-9-27-15-19-11-21(29-2)25-23(13-19)31-17-33-25/h10-13,26-27H,3-9,14-17H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.24E+3	n/a	n/a	n/a	n/a	8.0	37
Sun Yat-sen University					Assay Description All the assays were under 0.1 M KH2PO4/K2HPO4 buffer, pH 8.0, using a Shimadzu 2450 Spectrophotometer. Enzyme solutions were prepared to give 2.0 uni...				J Enzyme Inhib Med Chem 26: 706-11 (2011) Article DOI: 10.3109/14756366.2010.548329 BindingDB Entry DOI: 10.7270/Q29022NH
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM235653 (N1,N9-bis((7-methoxybenzo[d][1,3]dioxol-5-yl)methy...) Show SMILES COc1cc(CNCCCCCCCCCNCc2cc3OCOc3c(OC)c2)cc2OCOc12 Show InChI InChI=1S/C27H38N2O6/c1-30-22-12-20(14-24-26(22)34-18-32-24)16-28-10-8-6-4-3-5-7-9-11-29-17-21-13-23(31-2)27-25(15-21)33-19-35-27/h12-15,28-29H,3-11,16-19H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.14E+3	n/a	n/a	n/a	n/a	8.0	37
Sun Yat-sen University					Assay Description All the assays were under 0.1 M KH2PO4/K2HPO4 buffer, pH 8.0, using a Shimadzu 2450 Spectrophotometer. Enzyme solutions were prepared to give 2.0 uni...				J Enzyme Inhib Med Chem 26: 706-11 (2011) Article DOI: 10.3109/14756366.2010.548329 BindingDB Entry DOI: 10.7270/Q29022NH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM10620 ((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...) Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1 Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	8.0	37
Sun Yat-sen University					Assay Description All the assays were under 0.1 M KH2PO4/K2HPO4 buffer, pH 8.0, using a Shimadzu 2450 Spectrophotometer. Enzyme solutions were prepared to give 2.0 uni...				J Enzyme Inhib Med Chem 26: 706-11 (2011) Article DOI: 10.3109/14756366.2010.548329 BindingDB Entry DOI: 10.7270/Q29022NH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM235650 (N1,N6-bis((7-methoxybenzo[d][1,3]dioxol-5-yl)methy...) Show SMILES COc1cc(CNCCCCCCNCc2cc3OCOc3c(OC)c2)cc2OCOc12 Show InChI InChI=1S/C24H32N2O6/c1-27-19-9-17(11-21-23(19)31-15-29-21)13-25-7-5-3-4-6-8-26-14-18-10-20(28-2)24-22(12-18)30-16-32-24/h9-12,25-26H,3-8,13-16H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.78E+3	n/a	n/a	n/a	n/a	8.0	37
Sun Yat-sen University					Assay Description All the assays were under 0.1 M KH2PO4/K2HPO4 buffer, pH 8.0, using a Shimadzu 2450 Spectrophotometer. Enzyme solutions were prepared to give 2.0 uni...				J Enzyme Inhib Med Chem 26: 706-11 (2011) Article DOI: 10.3109/14756366.2010.548329 BindingDB Entry DOI: 10.7270/Q29022NH
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM235648 (N1,N4-bis((7-methoxybenzo[d][1,3]dioxol-5-yl)methy...) Show SMILES COc1cc(CNCCCCNCc2cc3OCOc3c(OC)c2)cc2OCOc12 Show InChI InChI=1S/C22H28N2O6/c1-25-17-7-15(9-19-21(17)29-13-27-19)11-23-5-3-4-6-24-12-16-8-18(26-2)22-20(10-16)28-14-30-22/h7-10,23-24H,3-6,11-14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.21E+4	n/a	n/a	n/a	n/a	8.0	37
Sun Yat-sen University					Assay Description All the assays were under 0.1 M KH2PO4/K2HPO4 buffer, pH 8.0, using a Shimadzu 2450 Spectrophotometer. Enzyme solutions were prepared to give 2.0 uni...				J Enzyme Inhib Med Chem 26: 706-11 (2011) Article DOI: 10.3109/14756366.2010.548329 BindingDB Entry DOI: 10.7270/Q29022NH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM235649 (N1,N5-bis((7-methoxybenzo[d][1,3]dioxol-5-yl)methy...) Show SMILES COc1cc(CNCCCCCNCc2cc3OCOc3c(OC)c2)cc2OCOc12 Show InChI InChI=1S/C23H30N2O6/c1-26-18-8-16(10-20-22(18)30-14-28-20)12-24-6-4-3-5-7-25-13-17-9-19(27-2)23-21(11-17)29-15-31-23/h8-11,24-25H,3-7,12-15H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.33E+4	n/a	n/a	n/a	n/a	8.0	37
Sun Yat-sen University					Assay Description All the assays were under 0.1 M KH2PO4/K2HPO4 buffer, pH 8.0, using a Shimadzu 2450 Spectrophotometer. Enzyme solutions were prepared to give 2.0 uni...				J Enzyme Inhib Med Chem 26: 706-11 (2011) Article DOI: 10.3109/14756366.2010.548329 BindingDB Entry DOI: 10.7270/Q29022NH
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM235647 (N1,N3-bis((7-methoxybenzo[d][1,3]dioxol-5-yl)methy...) Show SMILES COc1cc(CNCCCNCc2cc3OCOc3c(OC)c2)cc2OCOc12 Show InChI InChI=1S/C21H26N2O6/c1-24-16-6-14(8-18-20(16)28-12-26-18)10-22-4-3-5-23-11-15-7-17(25-2)21-19(9-15)27-13-29-21/h6-9,22-23H,3-5,10-13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.23E+4	n/a	n/a	n/a	n/a	8.0	37
Sun Yat-sen University					Assay Description All the assays were under 0.1 M KH2PO4/K2HPO4 buffer, pH 8.0, using a Shimadzu 2450 Spectrophotometer. Enzyme solutions were prepared to give 2.0 uni...				J Enzyme Inhib Med Chem 26: 706-11 (2011) Article DOI: 10.3109/14756366.2010.548329 BindingDB Entry DOI: 10.7270/Q29022NH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM235648 (N1,N4-bis((7-methoxybenzo[d][1,3]dioxol-5-yl)methy...) Show SMILES COc1cc(CNCCCCNCc2cc3OCOc3c(OC)c2)cc2OCOc12 Show InChI InChI=1S/C22H28N2O6/c1-25-17-7-15(9-19-21(17)29-13-27-19)11-23-5-3-4-6-24-12-16-8-18(26-2)22-20(10-16)28-14-30-22/h7-10,23-24H,3-6,11-14H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+5	n/a	n/a	n/a	n/a	8.0	37
Sun Yat-sen University					Assay Description All the assays were under 0.1 M KH2PO4/K2HPO4 buffer, pH 8.0, using a Shimadzu 2450 Spectrophotometer. Enzyme solutions were prepared to give 2.0 uni...				J Enzyme Inhib Med Chem 26: 706-11 (2011) Article DOI: 10.3109/14756366.2010.548329 BindingDB Entry DOI: 10.7270/Q29022NH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM235647 (N1,N3-bis((7-methoxybenzo[d][1,3]dioxol-5-yl)methy...) Show SMILES COc1cc(CNCCCNCc2cc3OCOc3c(OC)c2)cc2OCOc12 Show InChI InChI=1S/C21H26N2O6/c1-24-16-6-14(8-18-20(16)28-12-26-18)10-22-4-3-5-23-11-15-7-17(25-2)21-19(9-15)27-13-29-21/h6-9,22-23H,3-5,10-13H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.25E+5	n/a	n/a	n/a	n/a	8.0	37
Sun Yat-sen University					Assay Description All the assays were under 0.1 M KH2PO4/K2HPO4 buffer, pH 8.0, using a Shimadzu 2450 Spectrophotometer. Enzyme solutions were prepared to give 2.0 uni...				J Enzyme Inhib Med Chem 26: 706-11 (2011) Article DOI: 10.3109/14756366.2010.548329 BindingDB Entry DOI: 10.7270/Q29022NH
					More data for this Ligand-Target Pair