Compile Data Set for Download or QSAR

Found 41 hits Enz. Inhib. hit(s) with all data for entry = 50043621   

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))	BDBM50443692 (CHEMBL3093837) Show SMILES CCN(CC)CCCCCCCCOc1ccc2c(c1)oc(cc2=O)-c1ccc(cc1)N(C)C Show InChI InChI=1S/C29H40N2O3/c1-5-31(6-2)19-11-9-7-8-10-12-20-33-25-17-18-26-27(32)22-28(34-29(26)21-25)23-13-15-24(16-14-23)30(3)4/h13-18,21-22H,5-12,19-20H2,1-4H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	386	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Henan University Curated by ChEMBL					Assay Description Mixed-type inhibition of electric eel AChE using acetylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition by Linewea...				Bioorg Med Chem 21: 7275-82 (2013) Article DOI: 10.1016/j.bmc.2013.09.061 BindingDB Entry DOI: 10.7270/Q25B03ZD
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Henan University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition by Ellman's method				Bioorg Med Chem 21: 7275-82 (2013) Article DOI: 10.1016/j.bmc.2013.09.061 BindingDB Entry DOI: 10.7270/Q25B03ZD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	219	n/a	n/a	n/a	n/a	n/a	n/a
Henan University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition by Ellman's method				Bioorg Med Chem 21: 7275-82 (2013) Article DOI: 10.1016/j.bmc.2013.09.061 BindingDB Entry DOI: 10.7270/Q25B03ZD
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50443696 (CHEMBL3093842) Show SMILES CN(C)c1ccc(cc1)-c1cc(=O)c2ccc(OCCCCCCCCCCN3CCCC3)cc2o1 Show InChI InChI=1S/C31H42N2O3/c1-32(2)26-15-13-25(14-16-26)30-24-29(34)28-18-17-27(23-31(28)36-30)35-22-12-8-6-4-3-5-7-9-19-33-20-10-11-21-33/h13-18,23-24H,3-12,19-22H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	820	n/a	n/a	n/a	n/a	n/a	n/a
Henan University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition by Ellman's method				Bioorg Med Chem 21: 7275-82 (2013) Article DOI: 10.1016/j.bmc.2013.09.061 BindingDB Entry DOI: 10.7270/Q25B03ZD
					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	1.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
Henan University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition by Ellman's method				Bioorg Med Chem 21: 7275-82 (2013) Article DOI: 10.1016/j.bmc.2013.09.061 BindingDB Entry DOI: 10.7270/Q25B03ZD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50443692 (CHEMBL3093837) Show SMILES CCN(CC)CCCCCCCCOc1ccc2c(c1)oc(cc2=O)-c1ccc(cc1)N(C)C Show InChI InChI=1S/C29H40N2O3/c1-5-31(6-2)19-11-9-7-8-10-12-20-33-25-17-18-26-27(32)22-28(34-29(26)21-25)23-13-15-24(16-14-23)30(3)4/h13-18,21-22H,5-12,19-20H2,1-4H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
Henan University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition by Ellman's method				Bioorg Med Chem 21: 7275-82 (2013) Article DOI: 10.1016/j.bmc.2013.09.061 BindingDB Entry DOI: 10.7270/Q25B03ZD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50443700 (CHEMBL3093838) Show SMILES CN(C)c1ccc(cc1)-c1cc(=O)c2ccc(OCCCCCCCCN3CCCC3)cc2o1 Show InChI InChI=1S/C29H38N2O3/c1-30(2)24-13-11-23(12-14-24)28-22-27(32)26-16-15-25(21-29(26)34-28)33-20-10-6-4-3-5-7-17-31-18-8-9-19-31/h11-16,21-22H,3-10,17-20H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
Henan University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition by Ellman's method				Bioorg Med Chem 21: 7275-82 (2013) Article DOI: 10.1016/j.bmc.2013.09.061 BindingDB Entry DOI: 10.7270/Q25B03ZD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50443709 (CHEMBL3093846) Show SMILES CCN(CC)CCCCOc1ccc2c(c1)oc(cc2=O)-c1ccc(cc1)N(C)C Show InChI InChI=1S/C25H32N2O3/c1-5-27(6-2)15-7-8-16-29-21-13-14-22-23(28)18-24(30-25(22)17-21)19-9-11-20(12-10-19)26(3)4/h9-14,17-18H,5-8,15-16H2,1-4H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
Henan University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition by Ellman's method				Bioorg Med Chem 21: 7275-82 (2013) Article DOI: 10.1016/j.bmc.2013.09.061 BindingDB Entry DOI: 10.7270/Q25B03ZD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50443696 (CHEMBL3093842) Show SMILES CN(C)c1ccc(cc1)-c1cc(=O)c2ccc(OCCCCCCCCCCN3CCCC3)cc2o1 Show InChI InChI=1S/C31H42N2O3/c1-32(2)26-15-13-25(14-16-26)30-24-29(34)28-18-17-27(23-31(28)36-30)35-22-12-8-6-4-3-5-7-9-19-33-20-10-11-21-33/h13-18,23-24H,3-12,19-22H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Henan University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition by Ellman's method				Bioorg Med Chem 21: 7275-82 (2013) Article DOI: 10.1016/j.bmc.2013.09.061 BindingDB Entry DOI: 10.7270/Q25B03ZD
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50443697 (CHEMBL3093841) Show SMILES CCN(CC)CCCCCCCCCCOc1ccc2c(c1)oc(cc2=O)-c1ccc(cc1)N(C)C Show InChI InChI=1S/C31H44N2O3/c1-5-33(6-2)21-13-11-9-7-8-10-12-14-22-35-27-19-20-28-29(34)24-30(36-31(28)23-27)25-15-17-26(18-16-25)32(3)4/h15-20,23-24H,5-14,21-22H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
Henan University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition by Ellman's method				Bioorg Med Chem 21: 7275-82 (2013) Article DOI: 10.1016/j.bmc.2013.09.061 BindingDB Entry DOI: 10.7270/Q25B03ZD
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50443695 (CHEMBL3093843) Show SMILES CN(C)c1ccc(cc1)-c1cc(=O)c2ccc(OCCCCCCCCCCN3CCCCC3)cc2o1 Show InChI InChI=1S/C32H44N2O3/c1-33(2)27-16-14-26(15-17-27)31-25-30(35)29-19-18-28(24-32(29)37-31)36-23-13-8-6-4-3-5-7-10-20-34-21-11-9-12-22-34/h14-19,24-25H,3-13,20-23H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
Henan University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition by Ellman's method				Bioorg Med Chem 21: 7275-82 (2013) Article DOI: 10.1016/j.bmc.2013.09.061 BindingDB Entry DOI: 10.7270/Q25B03ZD
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50443700 (CHEMBL3093838) Show SMILES CN(C)c1ccc(cc1)-c1cc(=O)c2ccc(OCCCCCCCCN3CCCC3)cc2o1 Show InChI InChI=1S/C29H38N2O3/c1-30(2)24-13-11-23(12-14-24)28-22-27(32)26-16-15-25(21-29(26)34-28)33-20-10-6-4-3-5-7-17-31-18-8-9-19-31/h11-16,21-22H,3-10,17-20H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Henan University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition by Ellman's method				Bioorg Med Chem 21: 7275-82 (2013) Article DOI: 10.1016/j.bmc.2013.09.061 BindingDB Entry DOI: 10.7270/Q25B03ZD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50443708 (CHEMBL3093847) Show SMILES CN(C)c1ccc(cc1)-c1cc(=O)c2ccc(OCCCCN3CCCC3)cc2o1 Show InChI InChI=1S/C25H30N2O3/c1-26(2)20-9-7-19(8-10-20)24-18-23(28)22-12-11-21(17-25(22)30-24)29-16-6-5-15-27-13-3-4-14-27/h7-12,17-18H,3-6,13-16H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.77E+3	n/a	n/a	n/a	n/a	n/a	n/a
Henan University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition by Ellman's method				Bioorg Med Chem 21: 7275-82 (2013) Article DOI: 10.1016/j.bmc.2013.09.061 BindingDB Entry DOI: 10.7270/Q25B03ZD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50443707 (CHEMBL3093830) Show SMILES CN(C)c1ccc(cc1)-c1cc(=O)c2ccc(OCCCCN3CCCCC3)cc2o1 Show InChI InChI=1S/C26H32N2O3/c1-27(2)21-10-8-20(9-11-21)25-19-24(29)23-13-12-22(18-26(23)31-25)30-17-7-6-16-28-14-4-3-5-15-28/h8-13,18-19H,3-7,14-17H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
Henan University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition by Ellman's method				Bioorg Med Chem 21: 7275-82 (2013) Article DOI: 10.1016/j.bmc.2013.09.061 BindingDB Entry DOI: 10.7270/Q25B03ZD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50443704 (CHEMBL3093833) Show SMILES CCN(CC)CCCCCCOc1ccc2c(c1)oc(cc2=O)-c1ccc(cc1)N(C)C Show InChI InChI=1S/C27H36N2O3/c1-5-29(6-2)17-9-7-8-10-18-31-23-15-16-24-25(30)20-26(32-27(24)19-23)21-11-13-22(14-12-21)28(3)4/h11-16,19-20H,5-10,17-18H2,1-4H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
Henan University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition by Ellman's method				Bioorg Med Chem 21: 7275-82 (2013) Article DOI: 10.1016/j.bmc.2013.09.061 BindingDB Entry DOI: 10.7270/Q25B03ZD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50443697 (CHEMBL3093841) Show SMILES CCN(CC)CCCCCCCCCCOc1ccc2c(c1)oc(cc2=O)-c1ccc(cc1)N(C)C Show InChI InChI=1S/C31H44N2O3/c1-5-33(6-2)21-13-11-9-7-8-10-12-14-22-35-27-19-20-28-29(34)24-30(36-31(28)23-27)25-15-17-26(18-16-25)32(3)4/h15-20,23-24H,5-14,21-22H2,1-4H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
Henan University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition by Ellman's method				Bioorg Med Chem 21: 7275-82 (2013) Article DOI: 10.1016/j.bmc.2013.09.061 BindingDB Entry DOI: 10.7270/Q25B03ZD
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50443704 (CHEMBL3093833) Show SMILES CCN(CC)CCCCCCOc1ccc2c(c1)oc(cc2=O)-c1ccc(cc1)N(C)C Show InChI InChI=1S/C27H36N2O3/c1-5-29(6-2)17-9-7-8-10-18-31-23-15-16-24-25(30)20-26(32-27(24)19-23)21-11-13-22(14-12-21)28(3)4/h11-16,19-20H,5-10,17-18H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
Henan University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition by Ellman's method				Bioorg Med Chem 21: 7275-82 (2013) Article DOI: 10.1016/j.bmc.2013.09.061 BindingDB Entry DOI: 10.7270/Q25B03ZD
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50443692 (CHEMBL3093837) Show SMILES CCN(CC)CCCCCCCCOc1ccc2c(c1)oc(cc2=O)-c1ccc(cc1)N(C)C Show InChI InChI=1S/C29H40N2O3/c1-5-31(6-2)19-11-9-7-8-10-12-20-33-25-17-18-26-27(32)22-28(34-29(26)21-25)23-13-15-24(16-14-23)30(3)4/h13-18,21-22H,5-12,19-20H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
Henan University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition by Ellman's method				Bioorg Med Chem 21: 7275-82 (2013) Article DOI: 10.1016/j.bmc.2013.09.061 BindingDB Entry DOI: 10.7270/Q25B03ZD
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50443702 (CHEMBL3093835) Show SMILES CN(C)c1ccc(cc1)-c1cc(=O)c2ccc(OCCCCCCN3CCCCC3)cc2o1 Show InChI InChI=1S/C28H36N2O3/c1-29(2)23-12-10-22(11-13-23)27-21-26(31)25-15-14-24(20-28(25)33-27)32-19-9-4-3-6-16-30-17-7-5-8-18-30/h10-15,20-21H,3-9,16-19H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
Henan University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition by Ellman's method				Bioorg Med Chem 21: 7275-82 (2013) Article DOI: 10.1016/j.bmc.2013.09.061 BindingDB Entry DOI: 10.7270/Q25B03ZD
					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	5.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
Henan University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition by Ellman's method				Bioorg Med Chem 21: 7275-82 (2013) Article DOI: 10.1016/j.bmc.2013.09.061 BindingDB Entry DOI: 10.7270/Q25B03ZD
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50443707 (CHEMBL3093830) Show SMILES CN(C)c1ccc(cc1)-c1cc(=O)c2ccc(OCCCCN3CCCCC3)cc2o1 Show InChI InChI=1S/C26H32N2O3/c1-27(2)21-10-8-20(9-11-21)25-19-24(29)23-13-12-22(18-26(23)31-25)30-17-7-6-16-28-14-4-3-5-15-28/h8-13,18-19H,3-7,14-17H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Henan University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition by Ellman's method				Bioorg Med Chem 21: 7275-82 (2013) Article DOI: 10.1016/j.bmc.2013.09.061 BindingDB Entry DOI: 10.7270/Q25B03ZD
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50443708 (CHEMBL3093847) Show SMILES CN(C)c1ccc(cc1)-c1cc(=O)c2ccc(OCCCCN3CCCC3)cc2o1 Show InChI InChI=1S/C25H30N2O3/c1-26(2)20-9-7-19(8-10-20)24-18-23(28)22-12-11-21(17-25(22)30-24)29-16-6-5-15-27-13-3-4-14-27/h7-12,17-18H,3-6,13-16H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
Henan University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition by Ellman's method				Bioorg Med Chem 21: 7275-82 (2013) Article DOI: 10.1016/j.bmc.2013.09.061 BindingDB Entry DOI: 10.7270/Q25B03ZD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50443702 (CHEMBL3093835) Show SMILES CN(C)c1ccc(cc1)-c1cc(=O)c2ccc(OCCCCCCN3CCCCC3)cc2o1 Show InChI InChI=1S/C28H36N2O3/c1-29(2)23-12-10-22(11-13-23)27-21-26(31)25-15-14-24(20-28(25)33-27)32-19-9-4-3-6-16-30-17-7-5-8-18-30/h10-15,20-21H,3-9,16-19H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.73E+3	n/a	n/a	n/a	n/a	n/a	n/a
Henan University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition by Ellman's method				Bioorg Med Chem 21: 7275-82 (2013) Article DOI: 10.1016/j.bmc.2013.09.061 BindingDB Entry DOI: 10.7270/Q25B03ZD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50443701 (CHEMBL3093836) Show SMILES CN(CCCCCCOc1ccc2c(c1)oc(cc2=O)-c1ccc(cc1)N(C)C)Cc1ccccc1 Show InChI InChI=1S/C31H36N2O3/c1-32(2)26-15-13-25(14-16-26)30-22-29(34)28-18-17-27(21-31(28)36-30)35-20-10-5-4-9-19-33(3)23-24-11-7-6-8-12-24/h6-8,11-18,21-22H,4-5,9-10,19-20,23H2,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.85E+3	n/a	n/a	n/a	n/a	n/a	n/a
Henan University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition by Ellman's method				Bioorg Med Chem 21: 7275-82 (2013) Article DOI: 10.1016/j.bmc.2013.09.061 BindingDB Entry DOI: 10.7270/Q25B03ZD
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50443709 (CHEMBL3093846) Show SMILES CCN(CC)CCCCOc1ccc2c(c1)oc(cc2=O)-c1ccc(cc1)N(C)C Show InChI InChI=1S/C25H32N2O3/c1-5-27(6-2)15-7-8-16-29-21-13-14-22-23(28)18-24(30-25(22)17-21)19-9-11-20(12-10-19)26(3)4/h9-14,17-18H,5-8,15-16H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
Henan University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition by Ellman's method				Bioorg Med Chem 21: 7275-82 (2013) Article DOI: 10.1016/j.bmc.2013.09.061 BindingDB Entry DOI: 10.7270/Q25B03ZD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50443699 (CHEMBL3093839) Show SMILES CN(C)c1ccc(cc1)-c1cc(=O)c2ccc(OCCCCCCCCN3CCCCC3)cc2o1 Show InChI InChI=1S/C30H40N2O3/c1-31(2)25-14-12-24(13-15-25)29-23-28(33)27-17-16-26(22-30(27)35-29)34-21-11-6-4-3-5-8-18-32-19-9-7-10-20-32/h12-17,22-23H,3-11,18-21H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
Henan University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition by Ellman's method				Bioorg Med Chem 21: 7275-82 (2013) Article DOI: 10.1016/j.bmc.2013.09.061 BindingDB Entry DOI: 10.7270/Q25B03ZD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50443705 (CHEMBL3093832) Show SMILES CN(CCCCOc1ccc2c(c1)oc(cc2=O)-c1ccc(cc1)N(C)C)Cc1ccccc1 Show InChI InChI=1S/C29H32N2O3/c1-30(2)24-13-11-23(12-14-24)28-20-27(32)26-16-15-25(19-29(26)34-28)33-18-8-7-17-31(3)21-22-9-5-4-6-10-22/h4-6,9-16,19-20H,7-8,17-18,21H2,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
Henan University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition by Ellman's method				Bioorg Med Chem 21: 7275-82 (2013) Article DOI: 10.1016/j.bmc.2013.09.061 BindingDB Entry DOI: 10.7270/Q25B03ZD
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50443699 (CHEMBL3093839) Show SMILES CN(C)c1ccc(cc1)-c1cc(=O)c2ccc(OCCCCCCCCN3CCCCC3)cc2o1 Show InChI InChI=1S/C30H40N2O3/c1-31(2)25-14-12-24(13-15-25)29-23-28(33)27-17-16-26(22-30(27)35-29)34-21-11-6-4-3-5-8-18-32-19-9-7-10-20-32/h12-17,22-23H,3-11,18-21H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
Henan University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition by Ellman's method				Bioorg Med Chem 21: 7275-82 (2013) Article DOI: 10.1016/j.bmc.2013.09.061 BindingDB Entry DOI: 10.7270/Q25B03ZD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50443703 (CHEMBL3093834) Show SMILES CN(C)c1ccc(cc1)-c1cc(=O)c2ccc(OCCCCCCN3CCCC3)cc2o1 Show InChI InChI=1S/C27H34N2O3/c1-28(2)22-11-9-21(10-12-22)26-20-25(30)24-14-13-23(19-27(24)32-26)31-18-8-4-3-5-15-29-16-6-7-17-29/h9-14,19-20H,3-8,15-18H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
Henan University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition by Ellman's method				Bioorg Med Chem 21: 7275-82 (2013) Article DOI: 10.1016/j.bmc.2013.09.061 BindingDB Entry DOI: 10.7270/Q25B03ZD
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50443706 (CHEMBL3093831) Show SMILES CN(C)c1ccc(cc1)-c1cc(=O)c2ccc(OCCCCN3CCOCC3)cc2o1 Show InChI InChI=1S/C25H30N2O4/c1-26(2)20-7-5-19(6-8-20)24-18-23(28)22-10-9-21(17-25(22)31-24)30-14-4-3-11-27-12-15-29-16-13-27/h5-10,17-18H,3-4,11-16H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
Henan University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition by Ellman's method				Bioorg Med Chem 21: 7275-82 (2013) Article DOI: 10.1016/j.bmc.2013.09.061 BindingDB Entry DOI: 10.7270/Q25B03ZD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50443694 (CHEMBL3093844) Show SMILES CN(CCCCCCCCCCOc1ccc2c(c1)oc(cc2=O)-c1ccc(cc1)N(C)C)Cc1ccccc1 Show InChI InChI=1S/C35H44N2O3/c1-36(2)30-19-17-29(18-20-30)34-26-33(38)32-22-21-31(25-35(32)40-34)39-24-14-9-7-5-4-6-8-13-23-37(3)27-28-15-11-10-12-16-28/h10-12,15-22,25-26H,4-9,13-14,23-24,27H2,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
Henan University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition by Ellman's method				Bioorg Med Chem 21: 7275-82 (2013) Article DOI: 10.1016/j.bmc.2013.09.061 BindingDB Entry DOI: 10.7270/Q25B03ZD
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50443703 (CHEMBL3093834) Show SMILES CN(C)c1ccc(cc1)-c1cc(=O)c2ccc(OCCCCCCN3CCCC3)cc2o1 Show InChI InChI=1S/C27H34N2O3/c1-28(2)22-11-9-21(10-12-22)26-20-25(30)24-14-13-23(19-27(24)32-26)31-18-8-4-3-5-15-29-16-6-7-17-29/h9-14,19-20H,3-8,15-18H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
Henan University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition by Ellman's method				Bioorg Med Chem 21: 7275-82 (2013) Article DOI: 10.1016/j.bmc.2013.09.061 BindingDB Entry DOI: 10.7270/Q25B03ZD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50443698 (CHEMBL3093840) Show SMILES CN(CCCCCCCCOc1ccc2c(c1)oc(cc2=O)-c1ccc(cc1)N(C)C)Cc1ccccc1 Show InChI InChI=1S/C33H40N2O3/c1-34(2)28-17-15-27(16-18-28)32-24-31(36)30-20-19-29(23-33(30)38-32)37-22-12-7-5-4-6-11-21-35(3)25-26-13-9-8-10-14-26/h8-10,13-20,23-24H,4-7,11-12,21-22,25H2,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Henan University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition by Ellman's method				Bioorg Med Chem 21: 7275-82 (2013) Article DOI: 10.1016/j.bmc.2013.09.061 BindingDB Entry DOI: 10.7270/Q25B03ZD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50443693 (CHEMBL3093845) Show SMILES CN(CCCCCCCCCCCCOc1ccc2c(c1)oc(cc2=O)-c1ccc(cc1)N(C)C)Cc1ccccc1 Show InChI InChI=1S/C37H48N2O3/c1-38(2)32-21-19-31(20-22-32)36-28-35(40)34-24-23-33(27-37(34)42-36)41-26-16-11-9-7-5-4-6-8-10-15-25-39(3)29-30-17-13-12-14-18-30/h12-14,17-24,27-28H,4-11,15-16,25-26,29H2,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
Henan University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition by Ellman's method				Bioorg Med Chem 21: 7275-82 (2013) Article DOI: 10.1016/j.bmc.2013.09.061 BindingDB Entry DOI: 10.7270/Q25B03ZD
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50443694 (CHEMBL3093844) Show SMILES CN(CCCCCCCCCCOc1ccc2c(c1)oc(cc2=O)-c1ccc(cc1)N(C)C)Cc1ccccc1 Show InChI InChI=1S/C35H44N2O3/c1-36(2)30-19-17-29(18-20-30)34-26-33(38)32-22-21-31(25-35(32)40-34)39-24-14-9-7-5-4-6-8-13-23-37(3)27-28-15-11-10-12-16-28/h10-12,15-22,25-26H,4-9,13-14,23-24,27H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Henan University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition by Ellman's method				Bioorg Med Chem 21: 7275-82 (2013) Article DOI: 10.1016/j.bmc.2013.09.061 BindingDB Entry DOI: 10.7270/Q25B03ZD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50443706 (CHEMBL3093831) Show SMILES CN(C)c1ccc(cc1)-c1cc(=O)c2ccc(OCCCCN3CCOCC3)cc2o1 Show InChI InChI=1S/C25H30N2O4/c1-26(2)20-7-5-19(6-8-20)24-18-23(28)22-10-9-21(17-25(22)31-24)30-14-4-3-11-27-12-15-29-16-13-27/h5-10,17-18H,3-4,11-16H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Henan University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition by Ellman's method				Bioorg Med Chem 21: 7275-82 (2013) Article DOI: 10.1016/j.bmc.2013.09.061 BindingDB Entry DOI: 10.7270/Q25B03ZD
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50443701 (CHEMBL3093836) Show SMILES CN(CCCCCCOc1ccc2c(c1)oc(cc2=O)-c1ccc(cc1)N(C)C)Cc1ccccc1 Show InChI InChI=1S/C31H36N2O3/c1-32(2)26-15-13-25(14-16-26)30-22-29(34)28-18-17-27(21-31(28)36-30)35-20-10-5-4-9-19-33(3)23-24-11-7-6-8-12-24/h6-8,11-18,21-22H,4-5,9-10,19-20,23H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Henan University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition by Ellman's method				Bioorg Med Chem 21: 7275-82 (2013) Article DOI: 10.1016/j.bmc.2013.09.061 BindingDB Entry DOI: 10.7270/Q25B03ZD
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50443693 (CHEMBL3093845) Show SMILES CN(CCCCCCCCCCCCOc1ccc2c(c1)oc(cc2=O)-c1ccc(cc1)N(C)C)Cc1ccccc1 Show InChI InChI=1S/C37H48N2O3/c1-38(2)32-21-19-31(20-22-32)36-28-35(40)34-24-23-33(27-37(34)42-36)41-26-16-11-9-7-5-4-6-8-10-15-25-39(3)29-30-17-13-12-14-18-30/h12-14,17-24,27-28H,4-11,15-16,25-26,29H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Henan University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition by Ellman's method				Bioorg Med Chem 21: 7275-82 (2013) Article DOI: 10.1016/j.bmc.2013.09.061 BindingDB Entry DOI: 10.7270/Q25B03ZD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50443695 (CHEMBL3093843) Show SMILES CN(C)c1ccc(cc1)-c1cc(=O)c2ccc(OCCCCCCCCCCN3CCCCC3)cc2o1 Show InChI InChI=1S/C32H44N2O3/c1-33(2)27-16-14-26(15-17-27)31-25-30(35)29-19-18-28(24-32(29)37-31)36-23-13-8-6-4-3-5-7-10-20-34-21-11-9-12-22-34/h14-19,24-25H,3-13,20-23H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Henan University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition by Ellman's method				Bioorg Med Chem 21: 7275-82 (2013) Article DOI: 10.1016/j.bmc.2013.09.061 BindingDB Entry DOI: 10.7270/Q25B03ZD
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50443698 (CHEMBL3093840) Show SMILES CN(CCCCCCCCOc1ccc2c(c1)oc(cc2=O)-c1ccc(cc1)N(C)C)Cc1ccccc1 Show InChI InChI=1S/C33H40N2O3/c1-34(2)28-17-15-27(16-18-28)32-24-31(36)30-20-19-29(23-33(30)38-32)37-22-12-7-5-4-6-11-21-35(3)25-26-13-9-8-10-14-26/h8-10,13-20,23-24H,4-7,11-12,21-22,25H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Henan University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition by Ellman's method				Bioorg Med Chem 21: 7275-82 (2013) Article DOI: 10.1016/j.bmc.2013.09.061 BindingDB Entry DOI: 10.7270/Q25B03ZD
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50443705 (CHEMBL3093832) Show SMILES CN(CCCCOc1ccc2c(c1)oc(cc2=O)-c1ccc(cc1)N(C)C)Cc1ccccc1 Show InChI InChI=1S/C29H32N2O3/c1-30(2)24-13-11-23(12-14-24)28-20-27(32)26-16-15-25(19-29(26)34-28)33-18-8-7-17-31(3)21-22-9-5-4-6-10-22/h4-6,9-16,19-20H,7-8,17-18,21H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Henan University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition by Ellman's method				Bioorg Med Chem 21: 7275-82 (2013) Article DOI: 10.1016/j.bmc.2013.09.061 BindingDB Entry DOI: 10.7270/Q25B03ZD
					More data for this Ligand-Target Pair