Compile Data Set for Download or QSAR

Found 28 hits Enz. Inhib. hit(s) with all data for entry = 7089   

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))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University					Assay Description Newly synthesized coumarin thioureas were tested against electric eel AChE and horse serum BChE. The cholinesterase inhibitory activity was measured ...				Bioorg Chem 63: 58-63 (2015) Article DOI: 10.1016/j.bioorg.2015.09.009 BindingDB Entry DOI: 10.7270/Q2W957Z4
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM173566 (1-(2-Oxo-2H-chromene-3-carbonyl)-3-(3-chlorophenyl...) Show SMILES Clc1cccc(NC(=S)NC(=O)c2cc3ccccc3oc2=O)c1 Show InChI InChI=1S/C17H11ClN2O3S/c18-11-5-3-6-12(9-11)19-17(24)20-15(21)13-8-10-4-1-2-7-14(10)23-16(13)22/h1-9H,(H2,19,20,21,24)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University					Assay Description Newly synthesized coumarin thioureas were tested against electric eel AChE and horse serum BChE. The cholinesterase inhibitory activity was measured ...				Bioorg Chem 63: 58-63 (2015) Article DOI: 10.1016/j.bioorg.2015.09.009 BindingDB Entry DOI: 10.7270/Q2W957Z4
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM173563 (1-(2-Oxo-2H-chromene-3-carbonyl)-3-(2-methoxypheny...) Show SMILES COc1ccccc1NC(=S)NC(=O)c1cc2ccccc2oc1=O Show InChI InChI=1S/C18H14N2O4S/c1-23-15-9-5-3-7-13(15)19-18(25)20-16(21)12-10-11-6-2-4-8-14(11)24-17(12)22/h2-10H,1H3,(H2,19,20,21,25)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University					Assay Description Newly synthesized coumarin thioureas were tested against electric eel AChE and horse serum BChE. The cholinesterase inhibitory activity was measured ...				Bioorg Chem 63: 58-63 (2015) Article DOI: 10.1016/j.bioorg.2015.09.009 BindingDB Entry DOI: 10.7270/Q2W957Z4
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM173571 (1-(2-Oxo-2H-chromene-3-carbonyl)-3-(2-nitrophenyl)...) Show SMILES [O-][N+](=O)c1ccccc1NC(=S)NC(=O)c1cc2ccccc2oc1=O Show InChI InChI=1S/C17H11N3O5S/c21-15(11-9-10-5-1-4-8-14(10)25-16(11)22)19-17(26)18-12-6-2-3-7-13(12)20(23)24/h1-9H,(H2,18,19,21,26)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University					Assay Description Newly synthesized coumarin thioureas were tested against electric eel AChE and horse serum BChE. The cholinesterase inhibitory activity was measured ...				Bioorg Chem 63: 58-63 (2015) Article DOI: 10.1016/j.bioorg.2015.09.009 BindingDB Entry DOI: 10.7270/Q2W957Z4
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM173567 (1-(2-Oxo-2H-chromene-3-carbonyl)-3-(3-chloro-4-flu...) Show SMILES Fc1ccc(NC(=S)NC(=O)c2cc3ccccc3oc2=O)cc1Cl Show InChI InChI=1S/C17H10ClFN2O3S/c18-12-8-10(5-6-13(12)19)20-17(25)21-15(22)11-7-9-3-1-2-4-14(9)24-16(11)23/h1-8H,(H2,20,21,22,25)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University					Assay Description Newly synthesized coumarin thioureas were tested against electric eel AChE and horse serum BChE. The cholinesterase inhibitory activity was measured ...				Bioorg Chem 63: 58-63 (2015) Article DOI: 10.1016/j.bioorg.2015.09.009 BindingDB Entry DOI: 10.7270/Q2W957Z4
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM173567 (1-(2-Oxo-2H-chromene-3-carbonyl)-3-(3-chloro-4-flu...) Show SMILES Fc1ccc(NC(=S)NC(=O)c2cc3ccccc3oc2=O)cc1Cl Show InChI InChI=1S/C17H10ClFN2O3S/c18-12-8-10(5-6-13(12)19)20-17(25)21-15(22)11-7-9-3-1-2-4-14(9)24-16(11)23/h1-8H,(H2,20,21,22,25)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	840	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University					Assay Description Newly synthesized coumarin thioureas were tested against electric eel AChE and horse serum BChE. The cholinesterase inhibitory activity was measured ...				Bioorg Chem 63: 58-63 (2015) Article DOI: 10.1016/j.bioorg.2015.09.009 BindingDB Entry DOI: 10.7270/Q2W957Z4
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM173562 (1-(2-Oxo-2H-chromene-3-carbonyl)-3-(3-methylphenyl...) Show SMILES Cc1cccc(NC(=S)NC(=O)c2cc3ccccc3oc2=O)c1 Show InChI InChI=1S/C18H14N2O3S/c1-11-5-4-7-13(9-11)19-18(24)20-16(21)14-10-12-6-2-3-8-15(12)23-17(14)22/h2-10H,1H3,(H2,19,20,21,24)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University					Assay Description Newly synthesized coumarin thioureas were tested against electric eel AChE and horse serum BChE. The cholinesterase inhibitory activity was measured ...				Bioorg Chem 63: 58-63 (2015) Article DOI: 10.1016/j.bioorg.2015.09.009 BindingDB Entry DOI: 10.7270/Q2W957Z4
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM173565 (1-(2-Oxo-2H-chromene-3-carbonyl)-3-(2,3-dichloroph...) Show SMILES Clc1cccc(NC(=S)NC(=O)c2cc3ccccc3oc2=O)c1Cl Show InChI InChI=1S/C17H10Cl2N2O3S/c18-11-5-3-6-12(14(11)19)20-17(25)21-15(22)10-8-9-4-1-2-7-13(9)24-16(10)23/h1-8H,(H2,20,21,22,25)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University					Assay Description Newly synthesized coumarin thioureas were tested against electric eel AChE and horse serum BChE. The cholinesterase inhibitory activity was measured ...				Bioorg Chem 63: 58-63 (2015) Article DOI: 10.1016/j.bioorg.2015.09.009 BindingDB Entry DOI: 10.7270/Q2W957Z4
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM173566 (1-(2-Oxo-2H-chromene-3-carbonyl)-3-(3-chlorophenyl...) Show SMILES Clc1cccc(NC(=S)NC(=O)c2cc3ccccc3oc2=O)c1 Show InChI InChI=1S/C17H11ClN2O3S/c18-11-5-3-6-12(9-11)19-17(24)20-15(21)13-8-10-4-1-2-7-14(10)23-16(13)22/h1-9H,(H2,19,20,21,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University					Assay Description Newly synthesized coumarin thioureas were tested against electric eel AChE and horse serum BChE. The cholinesterase inhibitory activity was measured ...				Bioorg Chem 63: 58-63 (2015) Article DOI: 10.1016/j.bioorg.2015.09.009 BindingDB Entry DOI: 10.7270/Q2W957Z4
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM173562 (1-(2-Oxo-2H-chromene-3-carbonyl)-3-(3-methylphenyl...) Show SMILES Cc1cccc(NC(=S)NC(=O)c2cc3ccccc3oc2=O)c1 Show InChI InChI=1S/C18H14N2O3S/c1-11-5-4-7-13(9-11)19-18(24)20-16(21)14-10-12-6-2-3-8-15(12)23-17(14)22/h2-10H,1H3,(H2,19,20,21,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University					Assay Description Newly synthesized coumarin thioureas were tested against electric eel AChE and horse serum BChE. The cholinesterase inhibitory activity was measured ...				Bioorg Chem 63: 58-63 (2015) Article DOI: 10.1016/j.bioorg.2015.09.009 BindingDB Entry DOI: 10.7270/Q2W957Z4
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM173570 (1-(2-Oxo-2H-chromene-3-carbonyl)-3-(4-chlorophenyl...) Show SMILES Clc1ccc(NC(=S)NC(=O)c2cc3ccccc3oc2=O)cc1 Show InChI InChI=1S/C17H11ClN2O3S/c18-11-5-7-12(8-6-11)19-17(24)20-15(21)13-9-10-3-1-2-4-14(10)23-16(13)22/h1-9H,(H2,19,20,21,24)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University					Assay Description Newly synthesized coumarin thioureas were tested against electric eel AChE and horse serum BChE. The cholinesterase inhibitory activity was measured ...				Bioorg Chem 63: 58-63 (2015) Article DOI: 10.1016/j.bioorg.2015.09.009 BindingDB Entry DOI: 10.7270/Q2W957Z4
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM173569 (1-(2-Oxo-2H-chromene-3-carbonyl)-3-(2,4-dichloroph...) Show SMILES Clc1ccc(NC(=S)NC(=O)c2cc3ccccc3oc2=O)c(Cl)c1 Show InChI InChI=1S/C17H10Cl2N2O3S/c18-10-5-6-13(12(19)8-10)20-17(25)21-15(22)11-7-9-3-1-2-4-14(9)24-16(11)23/h1-8H,(H2,20,21,22,25)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University					Assay Description Newly synthesized coumarin thioureas were tested against electric eel AChE and horse serum BChE. The cholinesterase inhibitory activity was measured ...				Bioorg Chem 63: 58-63 (2015) Article DOI: 10.1016/j.bioorg.2015.09.009 BindingDB Entry DOI: 10.7270/Q2W957Z4
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University					Assay Description Newly synthesized coumarin thioureas were tested against electric eel AChE and horse serum BChE. The cholinesterase inhibitory activity was measured ...				Bioorg Chem 63: 58-63 (2015) Article DOI: 10.1016/j.bioorg.2015.09.009 BindingDB Entry DOI: 10.7270/Q2W957Z4
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM173573 (1-(2-Oxo-2H-chromene-3-carbonyl)-3-(cyclohexyl)thi...) Show SMILES O=C(NC(=S)NC1CCCCC1)c1cc2ccccc2oc1=O Show InChI InChI=1S/C17H18N2O3S/c20-15(19-17(23)18-12-7-2-1-3-8-12)13-10-11-6-4-5-9-14(11)22-16(13)21/h4-6,9-10,12H,1-3,7-8H2,(H2,18,19,20,23)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University					Assay Description Newly synthesized coumarin thioureas were tested against electric eel AChE and horse serum BChE. The cholinesterase inhibitory activity was measured ...				Bioorg Chem 63: 58-63 (2015) Article DOI: 10.1016/j.bioorg.2015.09.009 BindingDB Entry DOI: 10.7270/Q2W957Z4
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM173568 (1-(2-Oxo-2H-chromene-3-carbonyl)-3-(2-chlorophenyl...) Show SMILES Clc1ccccc1NC(=S)NC(=O)c1cc2ccccc2oc1=O Show InChI InChI=1S/C17H11ClN2O3S/c18-12-6-2-3-7-13(12)19-17(24)20-15(21)11-9-10-5-1-4-8-14(10)23-16(11)22/h1-9H,(H2,19,20,21,24)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University					Assay Description Newly synthesized coumarin thioureas were tested against electric eel AChE and horse serum BChE. The cholinesterase inhibitory activity was measured ...				Bioorg Chem 63: 58-63 (2015) Article DOI: 10.1016/j.bioorg.2015.09.009 BindingDB Entry DOI: 10.7270/Q2W957Z4
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM173572 (1-(2-Oxo-2H-chromene-3-carbonyl)-3-(3-methoxypheny...) Show SMILES COc1cccc(NC(=S)NC(=O)c2cc3ccccc3oc2=O)c1 Show InChI InChI=1S/C18H14N2O4S/c1-23-13-7-4-6-12(10-13)19-18(25)20-16(21)14-9-11-5-2-3-8-15(11)24-17(14)22/h2-10H,1H3,(H2,19,20,21,25)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University					Assay Description Newly synthesized coumarin thioureas were tested against electric eel AChE and horse serum BChE. The cholinesterase inhibitory activity was measured ...				Bioorg Chem 63: 58-63 (2015) Article DOI: 10.1016/j.bioorg.2015.09.009 BindingDB Entry DOI: 10.7270/Q2W957Z4
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM173568 (1-(2-Oxo-2H-chromene-3-carbonyl)-3-(2-chlorophenyl...) Show SMILES Clc1ccccc1NC(=S)NC(=O)c1cc2ccccc2oc1=O Show InChI InChI=1S/C17H11ClN2O3S/c18-12-6-2-3-7-13(12)19-17(24)20-15(21)11-9-10-5-1-4-8-14(10)23-16(11)22/h1-9H,(H2,19,20,21,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University					Assay Description Newly synthesized coumarin thioureas were tested against electric eel AChE and horse serum BChE. The cholinesterase inhibitory activity was measured ...				Bioorg Chem 63: 58-63 (2015) Article DOI: 10.1016/j.bioorg.2015.09.009 BindingDB Entry DOI: 10.7270/Q2W957Z4
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM173573 (1-(2-Oxo-2H-chromene-3-carbonyl)-3-(cyclohexyl)thi...) Show SMILES O=C(NC(=S)NC1CCCCC1)c1cc2ccccc2oc1=O Show InChI InChI=1S/C17H18N2O3S/c20-15(19-17(23)18-12-7-2-1-3-8-12)13-10-11-6-4-5-9-14(11)22-16(13)21/h4-6,9-10,12H,1-3,7-8H2,(H2,18,19,20,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University					Assay Description Newly synthesized coumarin thioureas were tested against electric eel AChE and horse serum BChE. The cholinesterase inhibitory activity was measured ...				Bioorg Chem 63: 58-63 (2015) Article DOI: 10.1016/j.bioorg.2015.09.009 BindingDB Entry DOI: 10.7270/Q2W957Z4
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM173569 (1-(2-Oxo-2H-chromene-3-carbonyl)-3-(2,4-dichloroph...) Show SMILES Clc1ccc(NC(=S)NC(=O)c2cc3ccccc3oc2=O)c(Cl)c1 Show InChI InChI=1S/C17H10Cl2N2O3S/c18-10-5-6-13(12(19)8-10)20-17(25)21-15(22)11-7-9-3-1-2-4-14(9)24-16(11)23/h1-8H,(H2,20,21,22,25)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University					Assay Description Newly synthesized coumarin thioureas were tested against electric eel AChE and horse serum BChE. The cholinesterase inhibitory activity was measured ...				Bioorg Chem 63: 58-63 (2015) Article DOI: 10.1016/j.bioorg.2015.09.009 BindingDB Entry DOI: 10.7270/Q2W957Z4
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM173563 (1-(2-Oxo-2H-chromene-3-carbonyl)-3-(2-methoxypheny...) Show SMILES COc1ccccc1NC(=S)NC(=O)c1cc2ccccc2oc1=O Show InChI InChI=1S/C18H14N2O4S/c1-23-15-9-5-3-7-13(15)19-18(25)20-16(21)12-10-11-6-2-4-8-14(11)24-17(12)22/h2-10H,1H3,(H2,19,20,21,25)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University					Assay Description Newly synthesized coumarin thioureas were tested against electric eel AChE and horse serum BChE. The cholinesterase inhibitory activity was measured ...				Bioorg Chem 63: 58-63 (2015) Article DOI: 10.1016/j.bioorg.2015.09.009 BindingDB Entry DOI: 10.7270/Q2W957Z4
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM173564 (1-(2-Oxo-2H-chromene-3-carbonyl)-3-(3-fluorophenyl...) Show SMILES Fc1cccc(NC(=S)NC(=O)c2cc3ccccc3oc2=O)c1 Show InChI InChI=1S/C17H11FN2O3S/c18-11-5-3-6-12(9-11)19-17(24)20-15(21)13-8-10-4-1-2-7-14(10)23-16(13)22/h1-9H,(H2,19,20,21,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.62E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University					Assay Description Newly synthesized coumarin thioureas were tested against electric eel AChE and horse serum BChE. The cholinesterase inhibitory activity was measured ...				Bioorg Chem 63: 58-63 (2015) Article DOI: 10.1016/j.bioorg.2015.09.009 BindingDB Entry DOI: 10.7270/Q2W957Z4
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM173564 (1-(2-Oxo-2H-chromene-3-carbonyl)-3-(3-fluorophenyl...) Show SMILES Fc1cccc(NC(=S)NC(=O)c2cc3ccccc3oc2=O)c1 Show InChI InChI=1S/C17H11FN2O3S/c18-11-5-3-6-12(9-11)19-17(24)20-15(21)13-8-10-4-1-2-7-14(10)23-16(13)22/h1-9H,(H2,19,20,21,24)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.72E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University					Assay Description Newly synthesized coumarin thioureas were tested against electric eel AChE and horse serum BChE. The cholinesterase inhibitory activity was measured ...				Bioorg Chem 63: 58-63 (2015) Article DOI: 10.1016/j.bioorg.2015.09.009 BindingDB Entry DOI: 10.7270/Q2W957Z4
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50022775 ((m-Hydroxyphenyl)trimethylammonium dimethylcarbama...) Show SMILES CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C Show InChI InChI=1S/C12H19N2O2/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5/h6-9H,1-5H3/q+1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University					Assay Description Newly synthesized coumarin thioureas were tested against electric eel AChE and horse serum BChE. The cholinesterase inhibitory activity was measured ...				Bioorg Chem 63: 58-63 (2015) Article DOI: 10.1016/j.bioorg.2015.09.009 BindingDB Entry DOI: 10.7270/Q2W957Z4
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM173571 (1-(2-Oxo-2H-chromene-3-carbonyl)-3-(2-nitrophenyl)...) Show SMILES [O-][N+](=O)c1ccccc1NC(=S)NC(=O)c1cc2ccccc2oc1=O Show InChI InChI=1S/C17H11N3O5S/c21-15(11-9-10-5-1-4-8-14(10)25-16(11)22)19-17(26)18-12-6-2-3-7-13(12)20(23)24/h1-9H,(H2,18,19,21,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.61E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University					Assay Description Newly synthesized coumarin thioureas were tested against electric eel AChE and horse serum BChE. The cholinesterase inhibitory activity was measured ...				Bioorg Chem 63: 58-63 (2015) Article DOI: 10.1016/j.bioorg.2015.09.009 BindingDB Entry DOI: 10.7270/Q2W957Z4
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM173565 (1-(2-Oxo-2H-chromene-3-carbonyl)-3-(2,3-dichloroph...) Show SMILES Clc1cccc(NC(=S)NC(=O)c2cc3ccccc3oc2=O)c1Cl Show InChI InChI=1S/C17H10Cl2N2O3S/c18-11-5-3-6-12(14(11)19)20-17(25)21-15(22)10-8-9-4-1-2-7-13(9)24-16(10)23/h1-8H,(H2,20,21,22,25)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University					Assay Description Newly synthesized coumarin thioureas were tested against electric eel AChE and horse serum BChE. The cholinesterase inhibitory activity was measured ...				Bioorg Chem 63: 58-63 (2015) Article DOI: 10.1016/j.bioorg.2015.09.009 BindingDB Entry DOI: 10.7270/Q2W957Z4
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM173570 (1-(2-Oxo-2H-chromene-3-carbonyl)-3-(4-chlorophenyl...) Show SMILES Clc1ccc(NC(=S)NC(=O)c2cc3ccccc3oc2=O)cc1 Show InChI InChI=1S/C17H11ClN2O3S/c18-11-5-7-12(8-6-11)19-17(24)20-15(21)13-9-10-3-1-2-4-14(10)23-16(13)22/h1-9H,(H2,19,20,21,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University					Assay Description Newly synthesized coumarin thioureas were tested against electric eel AChE and horse serum BChE. The cholinesterase inhibitory activity was measured ...				Bioorg Chem 63: 58-63 (2015) Article DOI: 10.1016/j.bioorg.2015.09.009 BindingDB Entry DOI: 10.7270/Q2W957Z4
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50022775 ((m-Hydroxyphenyl)trimethylammonium dimethylcarbama...) Show SMILES CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C Show InChI InChI=1S/C12H19N2O2/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5/h6-9H,1-5H3/q+1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University					Assay Description Newly synthesized coumarin thioureas were tested against electric eel AChE and horse serum BChE. The cholinesterase inhibitory activity was measured ...				Bioorg Chem 63: 58-63 (2015) Article DOI: 10.1016/j.bioorg.2015.09.009 BindingDB Entry DOI: 10.7270/Q2W957Z4
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM173572 (1-(2-Oxo-2H-chromene-3-carbonyl)-3-(3-methoxypheny...) Show SMILES COc1cccc(NC(=S)NC(=O)c2cc3ccccc3oc2=O)c1 Show InChI InChI=1S/C18H14N2O4S/c1-23-13-7-4-6-12(10-13)19-18(25)20-16(21)14-9-11-5-2-3-8-15(11)24-17(14)22/h2-10H,1H3,(H2,19,20,21,25)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University					Assay Description Newly synthesized coumarin thioureas were tested against electric eel AChE and horse serum BChE. The cholinesterase inhibitory activity was measured ...				Bioorg Chem 63: 58-63 (2015) Article DOI: 10.1016/j.bioorg.2015.09.009 BindingDB Entry DOI: 10.7270/Q2W957Z4
					More data for this Ligand-Target Pair