Compile Data Set for Download or QSAR

Found 119 hits with Last Name = 'trejtnar' and Initial = 'f'   

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))	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	1.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
Charles University					Assay Description The IC50 values were determined using the spectrophotometric Ellman's method. All of the tested compounds were dissolved in 0.01 M DMSO and then ...				Bioorg Chem 71: 244-256 (2017) Article DOI: 10.1016/j.bioorg.2017.02.010 BindingDB Entry DOI: 10.7270/Q2222SNQ
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	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	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.77E+3	n/a	n/a	n/a	n/a	n/a	n/a
Charles University					Assay Description The IC50 values were determined using the spectrophotometric Ellman's method. All of the tested compounds were dissolved in 0.01 M DMSO and then ...				Bioorg Chem 71: 244-256 (2017) Article DOI: 10.1016/j.bioorg.2017.02.010 BindingDB Entry DOI: 10.7270/Q2222SNQ
					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	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pardubice Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine as substrate after 10 mins by Ellman's method				Bioorg Med Chem 21: 1735-48 (2013) Article DOI: 10.1016/j.bmc.2013.01.052 BindingDB Entry DOI: 10.7270/Q2V989F2
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.96E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pardubice Curated by ChEMBL					Assay Description Inhibition of equine BChE using after 10 mins by Ellman's method				Bioorg Med Chem 21: 1735-48 (2013) Article DOI: 10.1016/j.bmc.2013.01.052 BindingDB Entry DOI: 10.7270/Q2V989F2
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM222329 (Phenyl 2-acetamido-3-(4-fluorophenyl)propanoate (3...) Show SMILES CC(=O)NC(Cc1ccc(F)cc1)C(=O)Oc1ccccc1 Show InChI InChI=1S/C17H16FNO3/c1-12(20)19-16(11-13-7-9-14(18)10-8-13)17(21)22-15-5-3-2-4-6-15/h2-10,16H,11H2,1H3,(H,19,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Charles University					Assay Description The IC50 values were determined using the spectrophotometric Ellman's method. All of the tested compounds were dissolved in 0.01 M DMSO and then ...				Bioorg Chem 71: 244-256 (2017) Article DOI: 10.1016/j.bioorg.2017.02.010 BindingDB Entry DOI: 10.7270/Q2222SNQ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50430780 (CHEMBL2334730) Show SMILES CCC[C@H](NC(=O)OCC)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C17H22FN3O3S/c1-4-6-13(21-17(23)24-5-2)15(22)19-10(3)16-20-12-8-7-11(18)9-14(12)25-16/h7-10,13H,4-6H2,1-3H3,(H,19,22)(H,21,23)/t10-,13+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pardubice Curated by ChEMBL					Assay Description Inhibition of equine BChE using after 10 mins by Ellman's method				Bioorg Med Chem 21: 1735-48 (2013) Article DOI: 10.1016/j.bmc.2013.01.052 BindingDB Entry DOI: 10.7270/Q2V989F2
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50430779 (CHEMBL2334731) Show SMILES CCCOC(=O)N[C@@H](CCC)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C18H24FN3O3S/c1-4-6-14(22-18(24)25-9-5-2)16(23)20-11(3)17-21-13-8-7-12(19)10-15(13)26-17/h7-8,10-11,14H,4-6,9H2,1-3H3,(H,20,23)(H,22,24)/t11-,14+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.93E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pardubice Curated by ChEMBL					Assay Description Inhibition of equine BChE using after 10 mins by Ellman's method				Bioorg Med Chem 21: 1735-48 (2013) Article DOI: 10.1016/j.bmc.2013.01.052 BindingDB Entry DOI: 10.7270/Q2V989F2
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50430777 (CHEMBL2334733) Show SMILES CCCCOC(=O)N[C@@H](CCC)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C19H26FN3O3S/c1-4-6-10-26-19(25)23-15(7-5-2)17(24)21-12(3)18-22-14-9-8-13(20)11-16(14)27-18/h8-9,11-12,15H,4-7,10H2,1-3H3,(H,21,24)(H,23,25)/t12-,15+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pardubice Curated by ChEMBL					Assay Description Inhibition of equine BChE using after 10 mins by Ellman's method				Bioorg Med Chem 21: 1735-48 (2013) Article DOI: 10.1016/j.bmc.2013.01.052 BindingDB Entry DOI: 10.7270/Q2V989F2
					More data for this Ligand-Target Pair
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	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pardubice Curated by ChEMBL					Assay Description Inhibition of equine BChE using after 10 mins by Ellman's method				Bioorg Med Chem 21: 1735-48 (2013) Article DOI: 10.1016/j.bmc.2013.01.052 BindingDB Entry DOI: 10.7270/Q2V989F2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50430776 (CHEMBL2334734) Show SMILES CCC[C@H](NC(=O)OCC(C)C)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C19H26FN3O3S/c1-5-6-15(23-19(25)26-10-11(2)3)17(24)21-12(4)18-22-14-8-7-13(20)9-16(14)27-18/h7-9,11-12,15H,5-6,10H2,1-4H3,(H,21,24)(H,23,25)/t12-,15+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pardubice Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine as substrate after 10 mins by Ellman's method				Bioorg Med Chem 21: 1735-48 (2013) Article DOI: 10.1016/j.bmc.2013.01.052 BindingDB Entry DOI: 10.7270/Q2V989F2
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50430781 (CHEMBL2334729) Show SMILES CCC[C@H](NC(=O)OC)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C16H20FN3O3S/c1-4-5-12(20-16(22)23-3)14(21)18-9(2)15-19-11-7-6-10(17)8-13(11)24-15/h6-9,12H,4-5H2,1-3H3,(H,18,21)(H,20,22)/t9-,12+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pardubice Curated by ChEMBL					Assay Description Inhibition of equine BChE using after 10 mins by Ellman's method				Bioorg Med Chem 21: 1735-48 (2013) Article DOI: 10.1016/j.bmc.2013.01.052 BindingDB Entry DOI: 10.7270/Q2V989F2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50430778 (CHEMBL2334732) Show SMILES CCC[C@H](NC(=O)OC(C)C)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C18H24FN3O3S/c1-5-6-14(22-18(24)25-10(2)3)16(23)20-11(4)17-21-13-8-7-12(19)9-15(13)26-17/h7-11,14H,5-6H2,1-4H3,(H,20,23)(H,22,24)/t11-,14+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pardubice Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine as substrate after 10 mins by Ellman's method				Bioorg Med Chem 21: 1735-48 (2013) Article DOI: 10.1016/j.bmc.2013.01.052 BindingDB Entry DOI: 10.7270/Q2V989F2
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50430776 (CHEMBL2334734) Show SMILES CCC[C@H](NC(=O)OCC(C)C)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C19H26FN3O3S/c1-5-6-15(23-19(25)26-10-11(2)3)17(24)21-12(4)18-22-14-8-7-13(20)9-16(14)27-18/h7-9,11-12,15H,5-6,10H2,1-4H3,(H,21,24)(H,23,25)/t12-,15+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.61E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pardubice Curated by ChEMBL					Assay Description Inhibition of equine BChE using after 10 mins by Ellman's method				Bioorg Med Chem 21: 1735-48 (2013) Article DOI: 10.1016/j.bmc.2013.01.052 BindingDB Entry DOI: 10.7270/Q2V989F2
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50430763 (CHEMBL2334725) Show SMILES CC(C)[C@H](NC(=O)OCC(Cl)(Cl)Cl)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C17H19Cl3FN3O3S/c1-8(2)13(24-16(26)27-7-17(18,19)20)14(25)22-9(3)15-23-11-5-4-10(21)6-12(11)28-15/h4-6,8-9,13H,7H2,1-3H3,(H,22,25)(H,24,26)/t9-,13+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.66E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pardubice Curated by ChEMBL					Assay Description Inhibition of equine BChE using after 10 mins by Ellman's method				Bioorg Med Chem 21: 1735-48 (2013) Article DOI: 10.1016/j.bmc.2013.01.052 BindingDB Entry DOI: 10.7270/Q2V989F2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50430777 (CHEMBL2334733) Show SMILES CCCCOC(=O)N[C@@H](CCC)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C19H26FN3O3S/c1-4-6-10-26-19(25)23-15(7-5-2)17(24)21-12(3)18-22-14-9-8-13(20)11-16(14)27-18/h8-9,11-12,15H,4-7,10H2,1-3H3,(H,21,24)(H,23,25)/t12-,15+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pardubice Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine as substrate after 10 mins by Ellman's method				Bioorg Med Chem 21: 1735-48 (2013) Article DOI: 10.1016/j.bmc.2013.01.052 BindingDB Entry DOI: 10.7270/Q2V989F2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50430779 (CHEMBL2334731) Show SMILES CCCOC(=O)N[C@@H](CCC)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C18H24FN3O3S/c1-4-6-14(22-18(24)25-9-5-2)16(23)20-11(3)17-21-13-8-7-12(19)10-15(13)26-17/h7-8,10-11,14H,4-6,9H2,1-3H3,(H,20,23)(H,22,24)/t11-,14+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.85E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pardubice Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine as substrate after 10 mins by Ellman's method				Bioorg Med Chem 21: 1735-48 (2013) Article DOI: 10.1016/j.bmc.2013.01.052 BindingDB Entry DOI: 10.7270/Q2V989F2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50430774 (CHEMBL2334736) Show SMILES CCC[C@H](NC(=O)OCC(Cl)(Cl)Cl)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C17H19Cl3FN3O3S/c1-3-4-12(24-16(26)27-8-17(18,19)20)14(25)22-9(2)15-23-11-6-5-10(21)7-13(11)28-15/h5-7,9,12H,3-4,8H2,1-2H3,(H,22,25)(H,24,26)/t9-,12+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.86E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pardubice Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine as substrate after 10 mins by Ellman's method				Bioorg Med Chem 21: 1735-48 (2013) Article DOI: 10.1016/j.bmc.2013.01.052 BindingDB Entry DOI: 10.7270/Q2V989F2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50430761 (CHEMBL2334727) Show SMILES CC(C)[C@H](NC(=O)OCC(F)(F)C(F)F)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C18H20F5N3O3S/c1-8(2)13(26-17(28)29-7-18(22,23)16(20)21)14(27)24-9(3)15-25-11-5-4-10(19)6-12(11)30-15/h4-6,8-9,13,16H,7H2,1-3H3,(H,24,27)(H,26,28)/t9-,13+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pardubice Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine as substrate after 10 mins by Ellman's method				Bioorg Med Chem 21: 1735-48 (2013) Article DOI: 10.1016/j.bmc.2013.01.052 BindingDB Entry DOI: 10.7270/Q2V989F2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50430773 (CHEMBL2334737) Show SMILES CCC[C@H](NC(=O)OCC(F)(F)F)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C17H19F4N3O3S/c1-3-4-12(24-16(26)27-8-17(19,20)21)14(25)22-9(2)15-23-11-6-5-10(18)7-13(11)28-15/h5-7,9,12H,3-4,8H2,1-2H3,(H,22,25)(H,24,26)/t9-,12+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.93E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pardubice Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine as substrate after 10 mins by Ellman's method				Bioorg Med Chem 21: 1735-48 (2013) Article DOI: 10.1016/j.bmc.2013.01.052 BindingDB Entry DOI: 10.7270/Q2V989F2
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM222327 (Phenyl 2-acetamido-3-(2-fluorophenyl)propanoate (1...) Show SMILES CC(=O)NC(Cc1ccccc1F)C(=O)Oc1ccccc1 Show InChI InChI=1S/C17H16FNO3/c1-12(20)19-16(11-13-7-5-6-10-15(13)18)17(21)22-14-8-3-2-4-9-14/h2-10,16H,11H2,1H3,(H,19,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Charles University					Assay Description The IC50 values were determined using the spectrophotometric Ellman's method. All of the tested compounds were dissolved in 0.01 M DMSO and then ...				Bioorg Chem 71: 244-256 (2017) Article DOI: 10.1016/j.bioorg.2017.02.010 BindingDB Entry DOI: 10.7270/Q2222SNQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50430763 (CHEMBL2334725) Show SMILES CC(C)[C@H](NC(=O)OCC(Cl)(Cl)Cl)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C17H19Cl3FN3O3S/c1-8(2)13(24-16(26)27-7-17(18,19)20)14(25)22-9(3)15-23-11-5-4-10(21)6-12(11)28-15/h4-6,8-9,13H,7H2,1-3H3,(H,22,25)(H,24,26)/t9-,13+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pardubice Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine as substrate after 10 mins by Ellman's method				Bioorg Med Chem 21: 1735-48 (2013) Article DOI: 10.1016/j.bmc.2013.01.052 BindingDB Entry DOI: 10.7270/Q2V989F2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50430772 (CHEMBL2334738) Show SMILES CCC[C@H](NC(=O)OCC(F)(F)C(F)F)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C18H20F5N3O3S/c1-3-4-12(26-17(28)29-8-18(22,23)16(20)21)14(27)24-9(2)15-25-11-6-5-10(19)7-13(11)30-15/h5-7,9,12,16H,3-4,8H2,1-2H3,(H,24,27)(H,26,28)/t9-,12+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pardubice Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine as substrate after 10 mins by Ellman's method				Bioorg Med Chem 21: 1735-48 (2013) Article DOI: 10.1016/j.bmc.2013.01.052 BindingDB Entry DOI: 10.7270/Q2V989F2
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50430770 (CHEMBL2334740) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C16H20FN3O3S/c1-8(2)13(20-16(22)23-4)14(21)18-9(3)15-19-11-6-5-10(17)7-12(11)24-15/h5-9,13H,1-4H3,(H,18,21)(H,20,22)/t9-,13+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pardubice Curated by ChEMBL					Assay Description Inhibition of equine BChE using after 10 mins by Ellman's method				Bioorg Med Chem 21: 1735-48 (2013) Article DOI: 10.1016/j.bmc.2013.01.052 BindingDB Entry DOI: 10.7270/Q2V989F2
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50430778 (CHEMBL2334732) Show SMILES CCC[C@H](NC(=O)OC(C)C)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C18H24FN3O3S/c1-5-6-14(22-18(24)25-10(2)3)16(23)20-11(4)17-21-13-8-7-12(19)9-15(13)26-17/h7-11,14H,5-6H2,1-4H3,(H,20,23)(H,22,24)/t11-,14+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pardubice Curated by ChEMBL					Assay Description Inhibition of equine BChE using after 10 mins by Ellman's method				Bioorg Med Chem 21: 1735-48 (2013) Article DOI: 10.1016/j.bmc.2013.01.052 BindingDB Entry DOI: 10.7270/Q2V989F2
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50430761 (CHEMBL2334727) Show SMILES CC(C)[C@H](NC(=O)OCC(F)(F)C(F)F)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C18H20F5N3O3S/c1-8(2)13(26-17(28)29-7-18(22,23)16(20)21)14(27)24-9(3)15-25-11-5-4-10(19)6-12(11)30-15/h4-6,8-9,13,16H,7H2,1-3H3,(H,24,27)(H,26,28)/t9-,13+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.38E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pardubice Curated by ChEMBL					Assay Description Inhibition of equine BChE using after 10 mins by Ellman's method				Bioorg Med Chem 21: 1735-48 (2013) Article DOI: 10.1016/j.bmc.2013.01.052 BindingDB Entry DOI: 10.7270/Q2V989F2
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM222325 (4-(Trifluoromethyl)phenyl 2-acetamido-3-(3-fluorop...) Show SMILES CC(=O)NC(Cc1cccc(F)c1)C(=O)Oc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C18H15F4NO3/c1-11(24)23-16(10-12-3-2-4-14(19)9-12)17(25)26-15-7-5-13(6-8-15)18(20,21)22/h2-9,16H,10H2,1H3,(H,23,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Charles University					Assay Description The IC50 values were determined using the spectrophotometric Ellman's method. All of the tested compounds were dissolved in 0.01 M DMSO and then ...				Bioorg Chem 71: 244-256 (2017) Article DOI: 10.1016/j.bioorg.2017.02.010 BindingDB Entry DOI: 10.7270/Q2222SNQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50430780 (CHEMBL2334730) Show SMILES CCC[C@H](NC(=O)OCC)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C17H22FN3O3S/c1-4-6-13(21-17(23)24-5-2)15(22)19-10(3)16-20-12-8-7-11(18)9-14(12)25-16/h7-10,13H,4-6H2,1-3H3,(H,19,22)(H,21,23)/t10-,13+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.48E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pardubice Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine as substrate after 10 mins by Ellman's method				Bioorg Med Chem 21: 1735-48 (2013) Article DOI: 10.1016/j.bmc.2013.01.052 BindingDB Entry DOI: 10.7270/Q2V989F2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50430775 (CHEMBL2334735) Show SMILES CCC[C@H](NC(=O)OCCCl)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C17H21ClFN3O3S/c1-3-4-13(22-17(24)25-8-7-18)15(23)20-10(2)16-21-12-6-5-11(19)9-14(12)26-16/h5-6,9-10,13H,3-4,7-8H2,1-2H3,(H,20,23)(H,22,24)/t10-,13+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.54E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pardubice Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine as substrate after 10 mins by Ellman's method				Bioorg Med Chem 21: 1735-48 (2013) Article DOI: 10.1016/j.bmc.2013.01.052 BindingDB Entry DOI: 10.7270/Q2V989F2
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50430769 (CHEMBL2334741) Show SMILES CCOC(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C17H22FN3O3S/c1-5-24-17(23)21-14(9(2)3)15(22)19-10(4)16-20-12-7-6-11(18)8-13(12)25-16/h6-10,14H,5H2,1-4H3,(H,19,22)(H,21,23)/t10-,14+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.56E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pardubice Curated by ChEMBL					Assay Description Inhibition of equine BChE using after 10 mins by Ellman's method				Bioorg Med Chem 21: 1735-48 (2013) Article DOI: 10.1016/j.bmc.2013.01.052 BindingDB Entry DOI: 10.7270/Q2V989F2
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM222324 (4-(Trifluoromethyl)phenyl 2-acetamido-3-(2-fluorop...) Show SMILES CC(=O)NC(Cc1ccccc1F)C(=O)Oc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C18H15F4NO3/c1-11(24)23-16(10-12-4-2-3-5-15(12)19)17(25)26-14-8-6-13(7-9-14)18(20,21)22/h2-9,16H,10H2,1H3,(H,23,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.74E+4	n/a	n/a	n/a	n/a	n/a	n/a
Charles University					Assay Description The IC50 values were determined using the spectrophotometric Ellman's method. All of the tested compounds were dissolved in 0.01 M DMSO and then ...				Bioorg Chem 71: 244-256 (2017) Article DOI: 10.1016/j.bioorg.2017.02.010 BindingDB Entry DOI: 10.7270/Q2222SNQ
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (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 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	3.84E+4	n/a	n/a	n/a	n/a	n/a	n/a
Charles University					Assay Description The IC50 values were determined using the spectrophotometric Ellman's method. All of the tested compounds were dissolved in 0.01 M DMSO and then ...				Bioorg Chem 71: 244-256 (2017) Article DOI: 10.1016/j.bioorg.2017.02.010 BindingDB Entry DOI: 10.7270/Q2222SNQ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50430765 (CHEMBL2334745) Show SMILES CC(C)COC(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C19H26FN3O3S/c1-10(2)9-26-19(25)23-16(11(3)4)17(24)21-12(5)18-22-14-7-6-13(20)8-15(14)27-18/h6-8,10-12,16H,9H2,1-5H3,(H,21,24)(H,23,25)/t12-,16+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pardubice Curated by ChEMBL					Assay Description Inhibition of equine BChE using after 10 mins by Ellman's method				Bioorg Med Chem 21: 1735-48 (2013) Article DOI: 10.1016/j.bmc.2013.01.052 BindingDB Entry DOI: 10.7270/Q2V989F2
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50430767 (CHEMBL2334743) Show SMILES CC(C)OC(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pardubice Curated by ChEMBL					Assay Description Inhibition of equine BChE using after 10 mins by Ellman's method				Bioorg Med Chem 21: 1735-48 (2013) Article DOI: 10.1016/j.bmc.2013.01.052 BindingDB Entry DOI: 10.7270/Q2V989F2
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50430772 (CHEMBL2334738) Show SMILES CCC[C@H](NC(=O)OCC(F)(F)C(F)F)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C18H20F5N3O3S/c1-3-4-12(26-17(28)29-8-18(22,23)16(20)21)14(27)24-9(2)15-25-11-6-5-10(19)7-13(11)30-15/h5-7,9,12,16H,3-4,8H2,1-2H3,(H,24,27)(H,26,28)/t9-,12+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pardubice Curated by ChEMBL					Assay Description Inhibition of equine BChE using after 10 mins by Ellman's method				Bioorg Med Chem 21: 1735-48 (2013) Article DOI: 10.1016/j.bmc.2013.01.052 BindingDB Entry DOI: 10.7270/Q2V989F2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50430771 (CHEMBL2334739) Show SMILES CCC[C@H](NC(=O)OCC(F)(F)C(F)(F)C(F)(F)F)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C19H19F8N3O3S/c1-3-4-12(30-16(32)33-8-17(21,22)18(23,24)19(25,26)27)14(31)28-9(2)15-29-11-6-5-10(20)7-13(11)34-15/h5-7,9,12H,3-4,8H2,1-2H3,(H,28,31)(H,30,32)/t9-,12+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pardubice Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine as substrate after 10 mins by Ellman's method				Bioorg Med Chem 21: 1735-48 (2013) Article DOI: 10.1016/j.bmc.2013.01.052 BindingDB Entry DOI: 10.7270/Q2V989F2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50430782 (CHEMBL2334747) Show SMILES CC(C)[C@H](NC(=O)OCCBr)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C17H21BrFN3O3S/c1-9(2)14(22-17(24)25-7-6-18)15(23)20-10(3)16-21-12-5-4-11(19)8-13(12)26-16/h4-5,8-10,14H,6-7H2,1-3H3,(H,20,23)(H,22,24)/t10-,14+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.72E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pardubice Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine as substrate after 10 mins by Ellman's method				Bioorg Med Chem 21: 1735-48 (2013) Article DOI: 10.1016/j.bmc.2013.01.052 BindingDB Entry DOI: 10.7270/Q2V989F2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50430764 (CHEMBL2334746) Show SMILES CC(C)[C@H](NC(=O)OCCCl)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C17H21ClFN3O3S/c1-9(2)14(22-17(24)25-7-6-18)15(23)20-10(3)16-21-12-5-4-11(19)8-13(12)26-16/h4-5,8-10,14H,6-7H2,1-3H3,(H,20,23)(H,22,24)/t10-,14+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pardubice Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine as substrate after 10 mins by Ellman's method				Bioorg Med Chem 21: 1735-48 (2013) Article DOI: 10.1016/j.bmc.2013.01.052 BindingDB Entry DOI: 10.7270/Q2V989F2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50430781 (CHEMBL2334729) Show SMILES CCC[C@H](NC(=O)OC)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C16H20FN3O3S/c1-4-5-12(20-16(22)23-3)14(21)18-9(2)15-19-11-7-6-10(17)8-13(11)24-15/h6-9,12H,4-5H2,1-3H3,(H,18,21)(H,20,22)/t9-,12+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.88E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pardubice Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine as substrate after 10 mins by Ellman's method				Bioorg Med Chem 21: 1735-48 (2013) Article DOI: 10.1016/j.bmc.2013.01.052 BindingDB Entry DOI: 10.7270/Q2V989F2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50430765 (CHEMBL2334745) Show SMILES CC(C)COC(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C19H26FN3O3S/c1-10(2)9-26-19(25)23-16(11(3)4)17(24)21-12(5)18-22-14-7-6-13(20)8-15(14)27-18/h6-8,10-12,16H,9H2,1-5H3,(H,21,24)(H,23,25)/t12-,16+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.93E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pardubice Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine as substrate after 10 mins by Ellman's method				Bioorg Med Chem 21: 1735-48 (2013) Article DOI: 10.1016/j.bmc.2013.01.052 BindingDB Entry DOI: 10.7270/Q2V989F2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50430762 (CHEMBL2334726) Show SMILES CC(C)[C@H](NC(=O)OCC(F)(F)F)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C17H19F4N3O3S/c1-8(2)13(24-16(26)27-7-17(19,20)21)14(25)22-9(3)15-23-11-5-4-10(18)6-12(11)28-15/h4-6,8-9,13H,7H2,1-3H3,(H,22,25)(H,24,26)/t9-,13+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.94E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pardubice Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine as substrate after 10 mins by Ellman's method				Bioorg Med Chem 21: 1735-48 (2013) Article DOI: 10.1016/j.bmc.2013.01.052 BindingDB Entry DOI: 10.7270/Q2V989F2
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM222316 (4-Chlorophenyl 2-acetamido-3-(3-fluorophenyl)propa...) Show SMILES CC(=O)NC(Cc1cccc(F)c1)C(=O)Oc1ccc(Cl)cc1 Show InChI InChI=1S/C17H15ClFNO3/c1-11(21)20-16(10-12-3-2-4-14(19)9-12)17(22)23-15-7-5-13(18)6-8-15/h2-9,16H,10H2,1H3,(H,20,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.27E+4	n/a	n/a	n/a	n/a	n/a	n/a
Charles University					Assay Description The IC50 values were determined using the spectrophotometric Ellman's method. All of the tested compounds were dissolved in 0.01 M DMSO and then ...				Bioorg Chem 71: 244-256 (2017) Article DOI: 10.1016/j.bioorg.2017.02.010 BindingDB Entry DOI: 10.7270/Q2222SNQ
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM222328 (Phenyl 2-acetamido-3-(3-fluorophenyl)propanoate (2...) Show SMILES CC(=O)NC(Cc1cccc(F)c1)C(=O)Oc1ccccc1 Show InChI InChI=1S/C17H16FNO3/c1-12(20)19-16(11-13-6-5-7-14(18)10-13)17(21)22-15-8-3-2-4-9-15/h2-10,16H,11H2,1H3,(H,19,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.37E+4	n/a	n/a	n/a	n/a	n/a	n/a
Charles University					Assay Description The IC50 values were determined using the spectrophotometric Ellman's method. All of the tested compounds were dissolved in 0.01 M DMSO and then ...				Bioorg Chem 71: 244-256 (2017) Article DOI: 10.1016/j.bioorg.2017.02.010 BindingDB Entry DOI: 10.7270/Q2222SNQ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50430775 (CHEMBL2334735) Show SMILES CCC[C@H](NC(=O)OCCCl)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C17H21ClFN3O3S/c1-3-4-13(22-17(24)25-8-7-18)15(23)20-10(2)16-21-12-6-5-11(19)9-14(12)26-16/h5-6,9-10,13H,3-4,7-8H2,1-2H3,(H,20,23)(H,22,24)/t10-,13+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pardubice Curated by ChEMBL					Assay Description Inhibition of equine BChE using after 10 mins by Ellman's method				Bioorg Med Chem 21: 1735-48 (2013) Article DOI: 10.1016/j.bmc.2013.01.052 BindingDB Entry DOI: 10.7270/Q2V989F2
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50430764 (CHEMBL2334746) Show SMILES CC(C)[C@H](NC(=O)OCCCl)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C17H21ClFN3O3S/c1-9(2)14(22-17(24)25-7-6-18)15(23)20-10(3)16-21-12-5-4-11(19)8-13(12)26-16/h4-5,8-10,14H,6-7H2,1-3H3,(H,20,23)(H,22,24)/t10-,14+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.42E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pardubice Curated by ChEMBL					Assay Description Inhibition of equine BChE using after 10 mins by Ellman's method				Bioorg Med Chem 21: 1735-48 (2013) Article DOI: 10.1016/j.bmc.2013.01.052 BindingDB Entry DOI: 10.7270/Q2V989F2
					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	5.61E+4	n/a	n/a	n/a	n/a	n/a	n/a
Charles University					Assay Description The IC50 values were determined using the spectrophotometric Ellman's method. All of the tested compounds were dissolved in 0.01 M DMSO and then ...				Bioorg Chem 71: 244-256 (2017) Article DOI: 10.1016/j.bioorg.2017.02.010 BindingDB Entry DOI: 10.7270/Q2222SNQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM222318 (4-Methylphenyl 2-acetamido-3-(2-fluorophenyl)propa...) Show SMILES CC(=O)NC(Cc1ccccc1F)C(=O)Oc1ccc(C)cc1 Show InChI InChI=1S/C18H18FNO3/c1-12-7-9-15(10-8-12)23-18(22)17(20-13(2)21)11-14-5-3-4-6-16(14)19/h3-10,17H,11H2,1-2H3,(H,20,21)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.79E+4	n/a	n/a	n/a	n/a	n/a	n/a
Charles University					Assay Description The IC50 values were determined using the spectrophotometric Ellman's method. All of the tested compounds were dissolved in 0.01 M DMSO and then ...				Bioorg Chem 71: 244-256 (2017) Article DOI: 10.1016/j.bioorg.2017.02.010 BindingDB Entry DOI: 10.7270/Q2222SNQ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50430773 (CHEMBL2334737) Show SMILES CCC[C@H](NC(=O)OCC(F)(F)F)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C17H19F4N3O3S/c1-3-4-12(24-16(26)27-8-17(19,20)21)14(25)22-9(2)15-23-11-6-5-10(18)7-13(11)28-15/h5-7,9,12H,3-4,8H2,1-2H3,(H,22,25)(H,24,26)/t9-,12+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pardubice Curated by ChEMBL					Assay Description Inhibition of equine BChE using after 10 mins by Ellman's method				Bioorg Med Chem 21: 1735-48 (2013) Article DOI: 10.1016/j.bmc.2013.01.052 BindingDB Entry DOI: 10.7270/Q2V989F2
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM222317 (4-Chlorophenyl 2-acetamido-3-(4-fluorophenyl)propa...) Show SMILES CC(=O)NC(Cc1ccc(F)cc1)C(=O)Oc1ccc(Cl)cc1 Show InChI InChI=1S/C17H15ClFNO3/c1-11(21)20-16(10-12-2-6-14(19)7-3-12)17(22)23-15-8-4-13(18)5-9-15/h2-9,16H,10H2,1H3,(H,20,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.91E+4	n/a	n/a	n/a	n/a	n/a	n/a
Charles University					Assay Description The IC50 values were determined using the spectrophotometric Ellman's method. All of the tested compounds were dissolved in 0.01 M DMSO and then ...				Bioorg Chem 71: 244-256 (2017) Article DOI: 10.1016/j.bioorg.2017.02.010 BindingDB Entry DOI: 10.7270/Q2222SNQ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50430771 (CHEMBL2334739) Show SMILES CCC[C@H](NC(=O)OCC(F)(F)C(F)(F)C(F)(F)F)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C19H19F8N3O3S/c1-3-4-12(30-16(32)33-8-17(21,22)18(23,24)19(25,26)27)14(31)28-9(2)15-29-11-6-5-10(20)7-13(11)34-15/h5-7,9,12H,3-4,8H2,1-2H3,(H,28,31)(H,30,32)/t9-,12+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pardubice Curated by ChEMBL					Assay Description Inhibition of equine BChE using after 10 mins by Ellman's method				Bioorg Med Chem 21: 1735-48 (2013) Article DOI: 10.1016/j.bmc.2013.01.052 BindingDB Entry DOI: 10.7270/Q2V989F2
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM222324 (4-(Trifluoromethyl)phenyl 2-acetamido-3-(2-fluorop...) Show SMILES CC(=O)NC(Cc1ccccc1F)C(=O)Oc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C18H15F4NO3/c1-11(24)23-16(10-12-4-2-3-5-15(12)19)17(25)26-14-8-6-13(7-9-14)18(20,21)22/h2-9,16H,10H2,1H3,(H,23,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
Charles University					Assay Description The IC50 values were determined using the spectrophotometric Ellman's method. All of the tested compounds were dissolved in 0.01 M DMSO and then ...				Bioorg Chem 71: 244-256 (2017) Article DOI: 10.1016/j.bioorg.2017.02.010 BindingDB Entry DOI: 10.7270/Q2222SNQ
					More data for this Ligand-Target Pair

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