Compile Data Set for Download or QSAR

Found 37 hits Enz. Inhib. hit(s) with all data for entry = 50009417   

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))	BDBM50528693 (CHEMBL4513389) Show SMILES COc1ccc(cc1)-c1nn(c2OS(=O)(=O)CCc12)-c1ccccc1Cl Show InChI InChI=1S/C18H15ClN2O4S/c1-24-13-8-6-12(7-9-13)17-14-10-11-26(22,23)25-18(14)21(20-17)16-5-3-2-4-15(16)19/h2-9H,10-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anhui Medical University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using varying levels of butyrylthiocholine iodide as substrate by Line weaver Burk reciprocal plot analysis				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111598 BindingDB Entry DOI: 10.7270/Q24F1V59
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50528690 (CHEMBL4545271) Show SMILES COc1ccc(cc1)-c1nn(c2OS(=O)(=O)CCc12)-c1ccccc1F Show InChI InChI=1S/C18H15FN2O4S/c1-24-13-8-6-12(7-9-13)17-14-10-11-26(22,23)25-18(14)21(20-17)16-5-3-2-4-15(16)19/h2-9H,10-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	145	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anhui Medical University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using varying levels of butyrylthiocholine iodide as substrate by Line weaver Burk reciprocal plot analysis				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111598 BindingDB Entry DOI: 10.7270/Q24F1V59
					More data for this Ligand-Target Pair
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	25	n/a	n/a	n/a	n/a	n/a	n/a
Anhui Medical University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by substrate addition by El...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111598 BindingDB Entry DOI: 10.7270/Q24F1V59
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50528685 (CHEMBL4457213) Show SMILES Fc1ccccc1-n1nc(C2CC2)c2CCS(=O)(=O)Oc12 Show InChI InChI=1S/C14H13FN2O3S/c15-11-3-1-2-4-12(11)17-14-10(7-8-21(18,19)20-14)13(16-17)9-5-6-9/h1-4,9H,5-8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	199	n/a	n/a	n/a	n/a	n/a	n/a
Anhui Medical University Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by substrate addition by ...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111598 BindingDB Entry DOI: 10.7270/Q24F1V59
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50528693 (CHEMBL4513389) Show SMILES COc1ccc(cc1)-c1nn(c2OS(=O)(=O)CCc12)-c1ccccc1Cl Show InChI InChI=1S/C18H15ClN2O4S/c1-24-13-8-6-12(7-9-13)17-14-10-11-26(22,23)25-18(14)21(20-17)16-5-3-2-4-15(16)19/h2-9H,10-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Anhui Medical University Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by substrate addition by ...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111598 BindingDB Entry DOI: 10.7270/Q24F1V59
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50528690 (CHEMBL4545271) Show SMILES COc1ccc(cc1)-c1nn(c2OS(=O)(=O)CCc12)-c1ccccc1F Show InChI InChI=1S/C18H15FN2O4S/c1-24-13-8-6-12(7-9-13)17-14-10-11-26(22,23)25-18(14)21(20-17)16-5-3-2-4-15(16)19/h2-9H,10-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
Anhui Medical University Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by substrate addition by ...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111598 BindingDB Entry DOI: 10.7270/Q24F1V59
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM11682 (2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...) Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r| 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 DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
Anhui Medical University Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by substrate addition by ...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111598 BindingDB Entry DOI: 10.7270/Q24F1V59
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50528694 (CHEMBL4440216) Show SMILES CC1=NN2C(C1)c1cc(Cl)cc(Cl)c1OC2=O |t:1| Show InChI InChI=1S/C11H8Cl2N2O2/c1-5-2-9-7-3-6(12)4-8(13)10(7)17-11(16)15(9)14-5/h3-4,9H,2H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
Anhui Medical University Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by substrate addition by ...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111598 BindingDB Entry DOI: 10.7270/Q24F1V59
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50528684 (CHEMBL4560302) Show SMILES Cc1nn(c2OS(=O)(=O)CCc12)-c1ccccc1F Show InChI InChI=1S/C12H11FN2O3S/c1-8-9-6-7-19(16,17)18-12(9)15(14-8)11-5-3-2-4-10(11)13/h2-5H,6-7H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Anhui Medical University Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by substrate addition by ...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111598 BindingDB Entry DOI: 10.7270/Q24F1V59
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50528682 (CHEMBL4461045) Show SMILES Cc1nn(c2OS(=O)(=O)CC(c3cc4ccccc4o3)c12)-c1ccccc1 Show InChI InChI=1S/C20H16N2O4S/c1-13-19-16(18-11-14-7-5-6-10-17(14)25-18)12-27(23,24)26-20(19)22(21-13)15-8-3-2-4-9-15/h2-11,16H,12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Anhui Medical University Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by substrate addition by ...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111598 BindingDB Entry DOI: 10.7270/Q24F1V59
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50528699 (CHEMBL4549779) Show SMILES COc1cccc(c1)C1CS(=O)(=O)Oc2c1c(nn2-c1ccccc1F)C1CC1 Show InChI InChI=1S/C21H19FN2O4S/c1-27-15-6-4-5-14(11-15)16-12-29(25,26)28-21-19(16)20(13-9-10-13)23-24(21)18-8-3-2-7-17(18)22/h2-8,11,13,16H,9-10,12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
Anhui Medical University Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by substrate addition by ...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111598 BindingDB Entry DOI: 10.7270/Q24F1V59
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50528678 (CHEMBL4539779) Show SMILES Cc1cc(ccc1Br)C1CS(=O)(=O)Oc2c1c(nn2-c1ccccc1Cl)C1CC1 Show InChI InChI=1S/C21H18BrClN2O3S/c1-12-10-14(8-9-16(12)22)15-11-29(26,27)28-21-19(15)20(13-6-7-13)24-25(21)18-5-3-2-4-17(18)23/h2-5,8-10,13,15H,6-7,11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.77E+3	n/a	n/a	n/a	n/a	n/a	n/a
Anhui Medical University Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by substrate addition by ...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111598 BindingDB Entry DOI: 10.7270/Q24F1V59
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50528701 (CHEMBL4464316) Show SMILES Cc1nn(c2OS(=O)(=O)CC(c12)c1ccc(Br)c(C)c1)-c1ccccc1F Show InChI InChI=1S/C19H16BrFN2O3S/c1-11-9-13(7-8-15(11)20)14-10-27(24,25)26-19-18(14)12(2)22-23(19)17-6-4-3-5-16(17)21/h3-9,14H,10H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
Anhui Medical University Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by substrate addition by ...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111598 BindingDB Entry DOI: 10.7270/Q24F1V59
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50528687 (CHEMBL4587583) Show SMILES Fc1cccc(c1)C1CS(=O)(=O)Oc2c1c(nn2-c1ccccc1F)C1CC1 Show InChI InChI=1S/C20H16F2N2O3S/c21-14-5-3-4-13(10-14)15-11-28(25,26)27-20-18(15)19(12-8-9-12)23-24(20)17-7-2-1-6-16(17)22/h1-7,10,12,15H,8-9,11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
Anhui Medical University Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by substrate addition by ...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111598 BindingDB Entry DOI: 10.7270/Q24F1V59
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50528691 (CHEMBL4556638) Show SMILES COc1ccc(cc1)-c1nn(c2OS(=O)(=O)CC(c12)c1ccc(Br)c(C)c1)-c1ccccc1F Show InChI InChI=1S/C25H20BrFN2O4S/c1-15-13-17(9-12-20(15)26)19-14-34(30,31)33-25-23(19)24(16-7-10-18(32-2)11-8-16)28-29(25)22-6-4-3-5-21(22)27/h3-13,19H,14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
Anhui Medical University Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by substrate addition by ...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111598 BindingDB Entry DOI: 10.7270/Q24F1V59
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50528689 (CHEMBL4443049) Show SMILES Fc1cccc(c1)-n1nc(C2CC2)c2C(CS(=O)(=O)Oc12)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C21H16F4N2O3S/c22-15-5-2-6-16(10-15)27-20-18(19(26-27)12-7-8-12)17(11-31(28,29)30-20)13-3-1-4-14(9-13)21(23,24)25/h1-6,9-10,12,17H,7-8,11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
Anhui Medical University Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by substrate addition by ...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111598 BindingDB Entry DOI: 10.7270/Q24F1V59
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50528702 (CHEMBL4470686) Show SMILES Cc1cc(ccc1Br)C1CS(=O)(=O)Oc2c1c(nn2-c1ccccc1F)C1CC1 Show InChI InChI=1S/C21H18BrFN2O3S/c1-12-10-14(8-9-16(12)22)15-11-29(26,27)28-21-19(15)20(13-6-7-13)24-25(21)18-5-3-2-4-17(18)23/h2-5,8-10,13,15H,6-7,11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
Anhui Medical University Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by substrate addition by ...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111598 BindingDB Entry DOI: 10.7270/Q24F1V59
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50528696 (CHEMBL4451107) Show SMILES Fc1ccc(cc1)C1CS(=O)(=O)Oc2c1c(nn2-c1ccccc1Cl)C1CC1 Show InChI InChI=1S/C20H16ClFN2O3S/c21-16-3-1-2-4-17(16)24-20-18(19(23-24)13-5-6-13)15(11-28(25,26)27-20)12-7-9-14(22)10-8-12/h1-4,7-10,13,15H,5-6,11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Anhui Medical University Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by substrate addition by ...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111598 BindingDB Entry DOI: 10.7270/Q24F1V59
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50528695 (CHEMBL4522656) Show SMILES Cc1nn(c2OS(=O)(=O)CC(c12)c1ccc(F)cc1)-c1ccccc1F Show InChI InChI=1S/C18H14F2N2O3S/c1-11-17-14(12-6-8-13(19)9-7-12)10-26(23,24)25-18(17)22(21-11)16-5-3-2-4-15(16)20/h2-9,14H,10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Anhui Medical University Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by substrate addition by ...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111598 BindingDB Entry DOI: 10.7270/Q24F1V59
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50528686 (CHEMBL4452132) Show SMILES Fc1ccc(cc1)C1CS(=O)(=O)Oc2c1c(nn2-c1ccccc1F)C1CC1 Show InChI InChI=1S/C20H16F2N2O3S/c21-14-9-7-12(8-10-14)15-11-28(25,26)27-20-18(15)19(13-5-6-13)23-24(20)17-4-2-1-3-16(17)22/h1-4,7-10,13,15H,5-6,11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
Anhui Medical University Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by substrate addition by ...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111598 BindingDB Entry DOI: 10.7270/Q24F1V59
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50528679 (CHEMBL4463401) Show SMILES COc1ccc(cc1)C1CS(=O)(=O)Oc2c1c(C)nn2-c1ccccc1 Show InChI InChI=1S/C19H18N2O4S/c1-13-18-17(14-8-10-16(24-2)11-9-14)12-26(22,23)25-19(18)21(20-13)15-6-4-3-5-7-15/h3-11,17H,12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
Anhui Medical University Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by substrate addition by ...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111598 BindingDB Entry DOI: 10.7270/Q24F1V59
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50528680 (CHEMBL4536663) Show SMILES Cc1nn(c2OS(=O)(=O)CC(c12)c1cccc(F)c1)-c1ccccc1 Show InChI InChI=1S/C18H15FN2O3S/c1-12-17-16(13-6-5-7-14(19)10-13)11-25(22,23)24-18(17)21(20-12)15-8-3-2-4-9-15/h2-10,16H,11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
Anhui Medical University Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by substrate addition by ...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111598 BindingDB Entry DOI: 10.7270/Q24F1V59
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50528683 (CHEMBL4448386) Show SMILES Cc1nn(c2OS(=O)(=O)CC(\C=C\c3cccc(C)c3)c12)-c1ccccc1 Show InChI InChI=1S/C21H20N2O3S/c1-15-7-6-8-17(13-15)11-12-18-14-27(24,25)26-21-20(18)16(2)22-23(21)19-9-4-3-5-10-19/h3-13,18H,14H2,1-2H3/b12-11+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
Anhui Medical University Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by substrate addition by ...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111598 BindingDB Entry DOI: 10.7270/Q24F1V59
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50528698 (CHEMBL4565000) Show SMILES Cc1nn(c2OS(=O)(=O)CC(c3ccsc3)c12)-c1ccccc1 Show InChI InChI=1S/C16H14N2O3S2/c1-11-15-14(12-7-8-22-9-12)10-23(19,20)21-16(15)18(17-11)13-5-3-2-4-6-13/h2-9,14H,10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
Anhui Medical University Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by substrate addition by ...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111598 BindingDB Entry DOI: 10.7270/Q24F1V59
					More data for this Ligand-Target Pair
Cholinesterase (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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
Anhui Medical University Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by substrate addition by ...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111598 BindingDB Entry DOI: 10.7270/Q24F1V59
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50528697 (CHEMBL4463274) Show SMILES Cc1nn(c2OS(=O)(=O)CC(\C=C\c3cccc(c3)C#N)c12)-c1ccccc1 Show InChI InChI=1S/C21H17N3O3S/c1-15-20-18(11-10-16-6-5-7-17(12-16)13-22)14-28(25,26)27-21(20)24(23-15)19-8-3-2-4-9-19/h2-12,18H,14H2,1H3/b11-10+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
Anhui Medical University Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by substrate addition by ...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111598 BindingDB Entry DOI: 10.7270/Q24F1V59
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50528700 (CHEMBL4466602) Show SMILES COc1cccc(c1)C1CS(=O)(=O)Oc2c1c(C)nn2-c1ccccc1 Show InChI InChI=1S/C19H18N2O4S/c1-13-18-17(14-7-6-10-16(11-14)24-2)12-26(22,23)25-19(18)21(20-13)15-8-4-3-5-9-15/h3-11,17H,12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Anhui Medical University Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by substrate addition by ...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111598 BindingDB Entry DOI: 10.7270/Q24F1V59
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50528688 (CHEMBL4547095) Show SMILES Cc1cc(ccc1Br)C1CS(=O)(=O)Oc2c1c(nn2-c1cccc(F)c1)C1CC1 Show InChI InChI=1S/C21H18BrFN2O3S/c1-12-9-14(7-8-18(12)22)17-11-29(26,27)28-21-19(17)20(13-5-6-13)24-25(21)16-4-2-3-15(23)10-16/h2-4,7-10,13,17H,5-6,11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
Anhui Medical University Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by substrate addition by ...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111598 BindingDB Entry DOI: 10.7270/Q24F1V59
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50528692 (CHEMBL4565603) Show SMILES COc1ccc(cc1)-c1nn(c2OS(=O)(=O)CC(c12)c1ccc(Br)c(C)c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H20BrClN2O4S/c1-15-13-17(5-12-22(15)26)21-14-34(30,31)33-25-23(21)24(16-3-10-20(32-2)11-4-16)28-29(25)19-8-6-18(27)7-9-19/h3-13,21H,14H2,1-2H3	PDB 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	n/a	n/a
Anhui Medical University Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by substrate addition by ...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111598 BindingDB Entry DOI: 10.7270/Q24F1V59
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50528703 (CHEMBL4574172) Show SMILES COc1cccc(c1)C1CS(=O)(=O)Oc2c1c(nn2-c1cccc(F)c1)C1CC1 Show InChI InChI=1S/C21H19FN2O4S/c1-27-17-7-2-4-14(10-17)18-12-29(25,26)28-21-19(18)20(13-8-9-13)23-24(21)16-6-3-5-15(22)11-16/h2-7,10-11,13,18H,8-9,12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.43E+4	n/a	n/a	n/a	n/a	n/a	n/a
Anhui Medical University Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by substrate addition by ...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111598 BindingDB Entry DOI: 10.7270/Q24F1V59
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50528697 (CHEMBL4463274) Show SMILES Cc1nn(c2OS(=O)(=O)CC(\C=C\c3cccc(c3)C#N)c12)-c1ccccc1 Show InChI InChI=1S/C21H17N3O3S/c1-15-20-18(11-10-16-6-5-7-17(12-16)13-22)14-28(25,26)27-21(20)24(23-15)19-8-3-2-4-9-19/h2-12,18H,14H2,1H3/b11-10+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
Anhui Medical University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by substrate addition by El...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111598 BindingDB Entry DOI: 10.7270/Q24F1V59
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50528705 (CHEMBL4445890) Show SMILES Cc1nn(c2OS(=O)(=O)CC(c12)c1cccc(c1)C(F)(F)F)-c1ccccc1 Show InChI InChI=1S/C19H15F3N2O3S/c1-12-17-16(13-6-5-7-14(10-13)19(20,21)22)11-28(25,26)27-18(17)24(23-12)15-8-3-2-4-9-15/h2-10,16H,11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.64E+4	n/a	n/a	n/a	n/a	n/a	n/a
Anhui Medical University Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by substrate addition by ...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111598 BindingDB Entry DOI: 10.7270/Q24F1V59
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50528681 (CHEMBL4470984) Show SMILES Cc1nn(c2OS(=O)(=O)CC(c12)c1cccc(C)c1)-c1ccccc1 Show InChI InChI=1S/C19H18N2O3S/c1-13-7-6-8-15(11-13)17-12-25(22,23)24-19-18(17)14(2)20-21(19)16-9-4-3-5-10-16/h3-11,17H,12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.77E+4	n/a	n/a	n/a	n/a	n/a	n/a
Anhui Medical University Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by substrate addition by ...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111598 BindingDB Entry DOI: 10.7270/Q24F1V59
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50528677 (CHEMBL4449553) Show SMILES Cc1nn(c2OS(=O)(=O)CC(c12)c1ccc(C)c(Br)c1)-c1ccccc1 Show InChI InChI=1S/C19H17BrN2O3S/c1-12-8-9-14(10-17(12)20)16-11-26(23,24)25-19-18(16)13(2)21-22(19)15-6-4-3-5-7-15/h3-10,16H,11H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.83E+4	n/a	n/a	n/a	n/a	n/a	n/a
Anhui Medical University Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by substrate addition by ...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111598 BindingDB Entry DOI: 10.7270/Q24F1V59
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50528694 (CHEMBL4440216) Show SMILES CC1=NN2C(C1)c1cc(Cl)cc(Cl)c1OC2=O |t:1| Show InChI InChI=1S/C11H8Cl2N2O2/c1-5-2-9-7-3-6(12)4-8(13)10(7)17-11(16)15(9)14-5/h3-4,9H,2H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Anhui Medical University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by substrate addition by El...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111598 BindingDB Entry DOI: 10.7270/Q24F1V59
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50528704 (CHEMBL4468896) Show SMILES COc1ccc(cc1)-c1nn(c2OS(=O)(=O)CC(c12)c1ccc(cc1)C#N)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H18ClN3O4S/c1-32-21-12-6-18(7-13-21)24-23-22(17-4-2-16(14-27)3-5-17)15-34(30,31)33-25(23)29(28-24)20-10-8-19(26)9-11-20/h2-13,22H,15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Anhui Medical University Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by substrate addition by ...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111598 BindingDB Entry DOI: 10.7270/Q24F1V59
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM11682 (2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...) Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r| 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 DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Anhui Medical University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by substrate addition by El...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111598 BindingDB Entry DOI: 10.7270/Q24F1V59
					More data for this Ligand-Target Pair