Compile Data Set for Download or QSAR

Found 39 hits Enz. Inhib. hit(s) with all data for entry = 50046968   

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))	BDBM50140562 (CHEMBL3753044) Show SMILES O=c1cc(oc2cc(OCCCCCCCCN3CCCC3)ccc12)-c1cccc2ccccc12 Show InChI InChI=1S/C31H35NO3/c33-29-23-31(27-15-11-13-24-12-5-6-14-26(24)27)35-30-22-25(16-17-28(29)30)34-21-10-4-2-1-3-7-18-32-19-8-9-20-32/h5-6,11-17,22-23H,1-4,7-10,18-21H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	206	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 ATC as substrate assessed as hydrolysis of ATC preincubated with protein for 15 mins followed by sub...				Bioorg Med Chem 24: 672-80 (2016) Article DOI: 10.1016/j.bmc.2015.12.031 BindingDB Entry DOI: 10.7270/Q2ZP4801
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50140562 (CHEMBL3753044) Show SMILES O=c1cc(oc2cc(OCCCCCCCCN3CCCC3)ccc12)-c1cccc2ccccc12 Show InChI InChI=1S/C31H35NO3/c33-29-23-31(27-15-11-13-24-12-5-6-14-26(24)27)35-30-22-25(16-17-28(29)30)34-21-10-4-2-1-3-7-18-32-19-8-9-20-32/h5-6,11-17,22-23H,1-4,7-10,18-21H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	420	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 BTC as substrate preincubated for 15 mins followed by substrate addition measured at 1 min intervals by Ellman ...				Bioorg Med Chem 24: 672-80 (2016) Article DOI: 10.1016/j.bmc.2015.12.031 BindingDB Entry DOI: 10.7270/Q2ZP4801
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50140559 (CHEMBL3753823) Show SMILES COc1ccccc1-c1cc(=O)c2ccc(OCCCCCCCCN3CCCC3)cc2o1 Show InChI InChI=1S/C28H35NO4/c1-31-26-13-7-6-12-24(26)28-21-25(30)23-15-14-22(20-27(23)33-28)32-19-11-5-3-2-4-8-16-29-17-9-10-18-29/h6-7,12-15,20-21H,2-5,8-11,16-19H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	640	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 ATC as substrate preincubated for 15 mins followed by substrate addition measured at 1 min intervals by Ellman ...				Bioorg Med Chem 24: 672-80 (2016) Article DOI: 10.1016/j.bmc.2015.12.031 BindingDB Entry DOI: 10.7270/Q2ZP4801
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50140547 (CHEMBL3753214) Show SMILES COc1cccc(c1)-c1cc(=O)c2ccc(OCCCCCCCCN3CCCC3)cc2o1 Show InChI InChI=1S/C28H35NO4/c1-31-23-12-10-11-22(19-23)27-21-26(30)25-14-13-24(20-28(25)33-27)32-18-9-5-3-2-4-6-15-29-16-7-8-17-29/h10-14,19-21H,2-9,15-18H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	670	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 ATC as substrate preincubated for 15 mins followed by substrate addition measured at 1 min intervals by Ellman ...				Bioorg Med Chem 24: 672-80 (2016) Article DOI: 10.1016/j.bmc.2015.12.031 BindingDB Entry DOI: 10.7270/Q2ZP4801
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50140562 (CHEMBL3753044) Show SMILES O=c1cc(oc2cc(OCCCCCCCCN3CCCC3)ccc12)-c1cccc2ccccc12 Show InChI InChI=1S/C31H35NO3/c33-29-23-31(27-15-11-13-24-12-5-6-14-26(24)27)35-30-22-25(16-17-28(29)30)34-21-10-4-2-1-3-7-18-32-19-8-9-20-32/h5-6,11-17,22-23H,1-4,7-10,18-21H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	720	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 ATC as substrate preincubated for 15 mins followed by substrate addition measured at 1 min intervals by Ellman ...				Bioorg Med Chem 24: 672-80 (2016) Article DOI: 10.1016/j.bmc.2015.12.031 BindingDB Entry DOI: 10.7270/Q2ZP4801
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50140559 (CHEMBL3753823) Show SMILES COc1ccccc1-c1cc(=O)c2ccc(OCCCCCCCCN3CCCC3)cc2o1 Show InChI InChI=1S/C28H35NO4/c1-31-26-13-7-6-12-24(26)28-21-25(30)23-15-14-22(20-27(23)33-28)32-19-11-5-3-2-4-8-16-29-17-9-10-18-29/h6-7,12-15,20-21H,2-5,8-11,16-19H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	760	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 BTC as substrate preincubated for 15 mins followed by substrate addition measured at 1 min intervals by Ellman ...				Bioorg Med Chem 24: 672-80 (2016) Article DOI: 10.1016/j.bmc.2015.12.031 BindingDB Entry DOI: 10.7270/Q2ZP4801
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50140511 (CHEMBL3753742) Show SMILES COc1ccc(cc1OC)-c1cc(=O)c2ccc(OCCCCCCCCN3CCCC3)cc2o1 Show InChI InChI=1S/C29H37NO5/c1-32-26-14-11-22(19-29(26)33-2)27-21-25(31)24-13-12-23(20-28(24)35-27)34-18-10-6-4-3-5-7-15-30-16-8-9-17-30/h11-14,19-21H,3-10,15-18H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	830	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 ATC as substrate preincubated for 15 mins followed by substrate addition measured at 1 min intervals by Ellman ...				Bioorg Med Chem 24: 672-80 (2016) Article DOI: 10.1016/j.bmc.2015.12.031 BindingDB Entry DOI: 10.7270/Q2ZP4801
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50140456 (CHEMBL3754793) Show SMILES COc1cc(cc(OC)c1OC)-c1cc(=O)c2ccc(OCCCCCCCCN3CCCC3)cc2o1 Show InChI InChI=1S/C30H39NO6/c1-33-28-18-22(19-29(34-2)30(28)35-3)26-21-25(32)24-13-12-23(20-27(24)37-26)36-17-11-7-5-4-6-8-14-31-15-9-10-16-31/h12-13,18-21H,4-11,14-17H2,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.08E+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 ATC as substrate preincubated for 15 mins followed by substrate addition measured at 1 min intervals by Ellman ...				Bioorg Med Chem 24: 672-80 (2016) Article DOI: 10.1016/j.bmc.2015.12.031 BindingDB Entry DOI: 10.7270/Q2ZP4801
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50140560 (CHEMBL3753043) Show SMILES O=c1cc(oc2cc(OCCCCCCCCN3CCCC3)ccc12)-c1ccccc1 Show InChI InChI=1S/C27H33NO3/c29-25-21-26(22-12-6-5-7-13-22)31-27-20-23(14-15-24(25)27)30-19-11-4-2-1-3-8-16-28-17-9-10-18-28/h5-7,12-15,20-21H,1-4,8-11,16-19H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.09E+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 ATC as substrate preincubated for 15 mins followed by substrate addition measured at 1 min intervals by Ellman ...				Bioorg Med Chem 24: 672-80 (2016) Article DOI: 10.1016/j.bmc.2015.12.031 BindingDB Entry DOI: 10.7270/Q2ZP4801
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50140452 (CHEMBL3752831) Show SMILES Oc1cccc(c1)-c1cc(=O)c2ccc(OCCCCCCCCN3CCCC3)cc2o1 Show InChI InChI=1S/C27H33NO4/c29-22-11-9-10-21(18-22)26-20-25(30)24-13-12-23(19-27(24)32-26)31-17-8-4-2-1-3-5-14-28-15-6-7-16-28/h9-13,18-20,29H,1-8,14-17H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.12E+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 ATC as substrate preincubated for 15 mins followed by substrate addition measured at 1 min intervals by Ellman ...				Bioorg Med Chem 24: 672-80 (2016) Article DOI: 10.1016/j.bmc.2015.12.031 BindingDB Entry DOI: 10.7270/Q2ZP4801
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50140565 (CHEMBL3753905) Show SMILES Clc1ccc(cc1)-c1cc(=O)c2ccc(OCCCCCCCCN3CCCC3)cc2o1 Show InChI InChI=1S/C27H32ClNO3/c28-22-11-9-21(10-12-22)26-20-25(30)24-14-13-23(19-27(24)32-26)31-18-8-4-2-1-3-5-15-29-16-6-7-17-29/h9-14,19-20H,1-8,15-18H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.12E+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 ATC as substrate preincubated for 15 mins followed by substrate addition measured at 1 min intervals by Ellman ...				Bioorg Med Chem 24: 672-80 (2016) Article DOI: 10.1016/j.bmc.2015.12.031 BindingDB Entry DOI: 10.7270/Q2ZP4801
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50140450 (CHEMBL3754159) Show SMILES Oc1ccc(cc1)-c1cc(=O)c2ccc(OCCCCCCCCN3CCCC3)cc2o1 Show InChI InChI=1S/C27H33NO4/c29-22-11-9-21(10-12-22)26-20-25(30)24-14-13-23(19-27(24)32-26)31-18-8-4-2-1-3-5-15-28-16-6-7-17-28/h9-14,19-20,29H,1-8,15-18H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.21E+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 ATC as substrate preincubated for 15 mins followed by substrate addition measured at 1 min intervals by Ellman ...				Bioorg Med Chem 24: 672-80 (2016) Article DOI: 10.1016/j.bmc.2015.12.031 BindingDB Entry DOI: 10.7270/Q2ZP4801
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50140449 (CHEMBL3754343) Show SMILES Cc1ccc(cc1)-c1cc(=O)c2ccc(OCCCCCCCCN3CCCC3)cc2o1 Show InChI InChI=1S/C28H35NO3/c1-22-10-12-23(13-11-22)27-21-26(30)25-15-14-24(20-28(25)32-27)31-19-9-5-3-2-4-6-16-29-17-7-8-18-29/h10-15,20-21H,2-9,16-19H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.25E+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 ATC as substrate preincubated for 15 mins followed by substrate addition measured at 1 min intervals by Ellman ...				Bioorg Med Chem 24: 672-80 (2016) Article DOI: 10.1016/j.bmc.2015.12.031 BindingDB Entry DOI: 10.7270/Q2ZP4801
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50140454 (CHEMBL3754412) Show SMILES Oc1ccccc1-c1cc(=O)c2ccc(OCCCCCCCCN3CCCC3)cc2o1 Show InChI InChI=1S/C27H33NO4/c29-24-12-6-5-11-22(24)27-20-25(30)23-14-13-21(19-26(23)32-27)31-18-10-4-2-1-3-7-15-28-16-8-9-17-28/h5-6,11-14,19-20,29H,1-4,7-10,15-18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+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 BTC as substrate preincubated for 15 mins followed by substrate addition measured at 1 min intervals by Ellman ...				Bioorg Med Chem 24: 672-80 (2016) Article DOI: 10.1016/j.bmc.2015.12.031 BindingDB Entry DOI: 10.7270/Q2ZP4801
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50140563 (CHEMBL3751879) Show SMILES O=c1cc(oc2cc(OCCCCCCCCN3CCCC3)ccc12)-c1ccc(cc1)N1CCCC1 Show InChI InChI=1S/C31H40N2O3/c34-29-24-30(25-11-13-26(14-12-25)33-20-8-9-21-33)36-31-23-27(15-16-28(29)31)35-22-10-4-2-1-3-5-17-32-18-6-7-19-32/h11-16,23-24H,1-10,17-22H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.38E+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 ATC as substrate preincubated for 15 mins followed by substrate addition measured at 1 min intervals by Ellman ...				Bioorg Med Chem 24: 672-80 (2016) Article DOI: 10.1016/j.bmc.2015.12.031 BindingDB Entry DOI: 10.7270/Q2ZP4801
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50140453 (CHEMBL3752142) Show SMILES O=c1cc(oc2cc(OCCCCCCCCN3CCCC3)ccc12)-c1cccc(OCc2ccccc2)c1 Show InChI InChI=1S/C34H39NO4/c36-32-25-33(28-15-12-16-29(23-28)38-26-27-13-6-5-7-14-27)39-34-24-30(17-18-31(32)34)37-22-11-4-2-1-3-8-19-35-20-9-10-21-35/h5-7,12-18,23-25H,1-4,8-11,19-22,26H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.58E+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 ATC as substrate preincubated for 15 mins followed by substrate addition measured at 1 min intervals by Ellman ...				Bioorg Med Chem 24: 672-80 (2016) Article DOI: 10.1016/j.bmc.2015.12.031 BindingDB Entry DOI: 10.7270/Q2ZP4801
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50140545 (CHEMBL3752790) Show SMILES COc1ccc(cc1)-c1cc(=O)c2ccc(OCCCCCCCCN3CCCC3)cc2o1 Show InChI InChI=1S/C28H35NO4/c1-31-23-12-10-22(11-13-23)27-21-26(30)25-15-14-24(20-28(25)33-27)32-19-9-5-3-2-4-6-16-29-17-7-8-18-29/h10-15,20-21H,2-9,16-19H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+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 ATC as substrate preincubated for 15 mins followed by substrate addition measured at 1 min intervals by Ellman ...				Bioorg Med Chem 24: 672-80 (2016) Article DOI: 10.1016/j.bmc.2015.12.031 BindingDB Entry DOI: 10.7270/Q2ZP4801
					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 BTC as substrate preincubated for 15 mins followed by substrate addition measured at 1 min intervals by Ellman ...				Bioorg Med Chem 24: 672-80 (2016) Article DOI: 10.1016/j.bmc.2015.12.031 BindingDB Entry DOI: 10.7270/Q2ZP4801
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50140451 (CHEMBL3754264) Show SMILES O=c1cc(oc2cc(OCCCCCCCCN3CCCC3)ccc12)-c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C34H39NO4/c36-32-25-33(28-14-16-29(17-15-28)38-26-27-12-6-5-7-13-27)39-34-24-30(18-19-31(32)34)37-23-11-4-2-1-3-8-20-35-21-9-10-22-35/h5-7,12-19,24-25H,1-4,8-11,20-23,26H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+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 ATC as substrate preincubated for 15 mins followed by substrate addition measured at 1 min intervals by Ellman ...				Bioorg Med Chem 24: 672-80 (2016) Article DOI: 10.1016/j.bmc.2015.12.031 BindingDB Entry DOI: 10.7270/Q2ZP4801
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50140449 (CHEMBL3754343) Show SMILES Cc1ccc(cc1)-c1cc(=O)c2ccc(OCCCCCCCCN3CCCC3)cc2o1 Show InChI InChI=1S/C28H35NO3/c1-22-10-12-23(13-11-22)27-21-26(30)25-15-14-24(20-28(25)32-27)31-19-9-5-3-2-4-6-16-29-17-7-8-18-29/h10-15,20-21H,2-9,16-19H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.92E+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 BTC as substrate preincubated for 15 mins followed by substrate addition measured at 1 min intervals by Ellman ...				Bioorg Med Chem 24: 672-80 (2016) Article DOI: 10.1016/j.bmc.2015.12.031 BindingDB Entry DOI: 10.7270/Q2ZP4801
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50140455 (CHEMBL3754649) Show SMILES O=c1cc(oc2cc(OCCCCCCCCN3CCCC3)ccc12)-c1ccccc1OCc1ccccc1 Show InChI InChI=1S/C34H39NO4/c36-31-25-34(30-16-8-9-17-32(30)38-26-27-14-6-5-7-15-27)39-33-24-28(18-19-29(31)33)37-23-13-4-2-1-3-10-20-35-21-11-12-22-35/h5-9,14-19,24-25H,1-4,10-13,20-23,26H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.01E+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 ATC as substrate preincubated for 15 mins followed by substrate addition measured at 1 min intervals by Ellman ...				Bioorg Med Chem 24: 672-80 (2016) Article DOI: 10.1016/j.bmc.2015.12.031 BindingDB Entry DOI: 10.7270/Q2ZP4801
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50140564 (CHEMBL3752109) Show SMILES Brc1ccc(cc1)-c1cc(=O)c2ccc(OCCCCCCCCN3CCCC3)cc2o1 Show InChI InChI=1S/C27H32BrNO3/c28-22-11-9-21(10-12-22)26-20-25(30)24-14-13-23(19-27(24)32-26)31-18-8-4-2-1-3-5-15-29-16-6-7-17-29/h9-14,19-20H,1-8,15-18H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
Henan University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using ATC as substrate preincubated for 15 mins followed by substrate addition measured at 1 min intervals by Ellman ...				Bioorg Med Chem 24: 672-80 (2016) Article DOI: 10.1016/j.bmc.2015.12.031 BindingDB Entry DOI: 10.7270/Q2ZP4801
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50140456 (CHEMBL3754793) Show SMILES COc1cc(cc(OC)c1OC)-c1cc(=O)c2ccc(OCCCCCCCCN3CCCC3)cc2o1 Show InChI InChI=1S/C30H39NO6/c1-33-28-18-22(19-29(34-2)30(28)35-3)26-21-25(32)24-13-12-23(20-27(24)37-26)36-17-11-7-5-4-6-8-14-31-15-9-10-16-31/h12-13,18-21H,4-11,14-17H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+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 BTC as substrate preincubated for 15 mins followed by substrate addition measured at 1 min intervals by Ellman ...				Bioorg Med Chem 24: 672-80 (2016) Article DOI: 10.1016/j.bmc.2015.12.031 BindingDB Entry DOI: 10.7270/Q2ZP4801
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50140560 (CHEMBL3753043) Show SMILES O=c1cc(oc2cc(OCCCCCCCCN3CCCC3)ccc12)-c1ccccc1 Show InChI InChI=1S/C27H33NO3/c29-25-21-26(22-12-6-5-7-13-22)31-27-20-23(14-15-24(25)27)30-19-11-4-2-1-3-8-16-28-17-9-10-18-28/h5-7,12-15,20-21H,1-4,8-11,16-19H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 equine serum BChE using BTC as substrate preincubated for 15 mins followed by substrate addition measured at 1 min intervals by Ellman ...				Bioorg Med Chem 24: 672-80 (2016) Article DOI: 10.1016/j.bmc.2015.12.031 BindingDB Entry DOI: 10.7270/Q2ZP4801
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50140547 (CHEMBL3753214) Show SMILES COc1cccc(c1)-c1cc(=O)c2ccc(OCCCCCCCCN3CCCC3)cc2o1 Show InChI InChI=1S/C28H35NO4/c1-31-23-12-10-11-22(19-23)27-21-26(30)25-14-13-24(20-28(25)33-27)32-18-9-5-3-2-4-6-15-29-16-7-8-17-29/h10-14,19-21H,2-9,15-18H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.29E+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 BTC as substrate preincubated for 15 mins followed by substrate addition measured at 1 min intervals by Ellman ...				Bioorg Med Chem 24: 672-80 (2016) Article DOI: 10.1016/j.bmc.2015.12.031 BindingDB Entry DOI: 10.7270/Q2ZP4801
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50140454 (CHEMBL3754412) Show SMILES Oc1ccccc1-c1cc(=O)c2ccc(OCCCCCCCCN3CCCC3)cc2o1 Show InChI InChI=1S/C27H33NO4/c29-24-12-6-5-11-22(24)27-20-25(30)23-14-13-21(19-26(23)32-27)31-18-10-4-2-1-3-7-15-28-16-8-9-17-28/h5-6,11-14,19-20,29H,1-4,7-10,15-18H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.07E+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 ATC as substrate preincubated for 15 mins followed by substrate addition measured at 1 min intervals by Ellman ...				Bioorg Med Chem 24: 672-80 (2016) Article DOI: 10.1016/j.bmc.2015.12.031 BindingDB Entry DOI: 10.7270/Q2ZP4801
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50140511 (CHEMBL3753742) Show SMILES COc1ccc(cc1OC)-c1cc(=O)c2ccc(OCCCCCCCCN3CCCC3)cc2o1 Show InChI InChI=1S/C29H37NO5/c1-32-26-14-11-22(19-29(26)33-2)27-21-25(31)24-13-12-23(20-28(24)35-27)34-18-10-6-4-3-5-7-15-30-16-8-9-17-30/h11-14,19-21H,3-10,15-18H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.43E+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 BTC as substrate preincubated for 15 mins followed by substrate addition measured at 1 min intervals by Ellman ...				Bioorg Med Chem 24: 672-80 (2016) Article DOI: 10.1016/j.bmc.2015.12.031 BindingDB Entry DOI: 10.7270/Q2ZP4801
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50140565 (CHEMBL3753905) Show SMILES Clc1ccc(cc1)-c1cc(=O)c2ccc(OCCCCCCCCN3CCCC3)cc2o1 Show InChI InChI=1S/C27H32ClNO3/c28-22-11-9-21(10-12-22)26-20-25(30)24-14-13-23(19-27(24)32-26)31-18-8-4-2-1-3-5-15-29-16-6-7-17-29/h9-14,19-20H,1-8,15-18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.46E+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 BTC as substrate preincubated for 15 mins followed by substrate addition measured at 1 min intervals by Ellman ...				Bioorg Med Chem 24: 672-80 (2016) Article DOI: 10.1016/j.bmc.2015.12.031 BindingDB Entry DOI: 10.7270/Q2ZP4801
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50140563 (CHEMBL3751879) Show SMILES O=c1cc(oc2cc(OCCCCCCCCN3CCCC3)ccc12)-c1ccc(cc1)N1CCCC1 Show InChI InChI=1S/C31H40N2O3/c34-29-24-30(25-11-13-26(14-12-25)33-20-8-9-21-33)36-31-23-27(15-16-28(29)31)35-22-10-4-2-1-3-5-17-32-18-6-7-19-32/h11-16,23-24H,1-10,17-22H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+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 BTC as substrate preincubated for 15 mins followed by substrate addition measured at 1 min intervals by Ellman ...				Bioorg Med Chem 24: 672-80 (2016) Article DOI: 10.1016/j.bmc.2015.12.031 BindingDB Entry DOI: 10.7270/Q2ZP4801
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50140450 (CHEMBL3754159) Show SMILES Oc1ccc(cc1)-c1cc(=O)c2ccc(OCCCCCCCCN3CCCC3)cc2o1 Show InChI InChI=1S/C27H33NO4/c29-22-11-9-21(10-12-22)26-20-25(30)24-14-13-23(19-27(24)32-26)31-18-8-4-2-1-3-5-15-28-16-6-7-17-28/h9-14,19-20,29H,1-8,15-18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.58E+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 BTC as substrate preincubated for 15 mins followed by substrate addition measured at 1 min intervals by Ellman ...				Bioorg Med Chem 24: 672-80 (2016) Article DOI: 10.1016/j.bmc.2015.12.031 BindingDB Entry DOI: 10.7270/Q2ZP4801
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50140561 (CHEMBL3753650) Show SMILES O=c1cc(oc2cc(OCCCCCCCCN3CCCC3)ccc12)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C33H37NO3/c35-31-25-32(28-16-14-27(15-17-28)26-12-6-5-7-13-26)37-33-24-29(18-19-30(31)33)36-23-11-4-2-1-3-8-20-34-21-9-10-22-34/h5-7,12-19,24-25H,1-4,8-11,20-23H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80E+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 ATC as substrate preincubated for 15 mins followed by substrate addition measured at 1 min intervals by Ellman ...				Bioorg Med Chem 24: 672-80 (2016) Article DOI: 10.1016/j.bmc.2015.12.031 BindingDB Entry DOI: 10.7270/Q2ZP4801
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50140452 (CHEMBL3752831) Show SMILES Oc1cccc(c1)-c1cc(=O)c2ccc(OCCCCCCCCN3CCCC3)cc2o1 Show InChI InChI=1S/C27H33NO4/c29-22-11-9-10-21(18-22)26-20-25(30)24-13-12-23(19-27(24)32-26)31-17-8-4-2-1-3-5-14-28-15-6-7-16-28/h9-13,18-20,29H,1-8,14-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.92E+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 BTC as substrate preincubated for 15 mins followed by substrate addition measured at 1 min intervals by Ellman ...				Bioorg Med Chem 24: 672-80 (2016) Article DOI: 10.1016/j.bmc.2015.12.031 BindingDB Entry DOI: 10.7270/Q2ZP4801
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50140455 (CHEMBL3754649) Show SMILES O=c1cc(oc2cc(OCCCCCCCCN3CCCC3)ccc12)-c1ccccc1OCc1ccccc1 Show InChI InChI=1S/C34H39NO4/c36-31-25-34(30-16-8-9-17-32(30)38-26-27-14-6-5-7-15-27)39-33-24-28(18-19-29(31)33)37-23-13-4-2-1-3-10-20-35-21-11-12-22-35/h5-9,14-19,24-25H,1-4,10-13,20-23,26H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.26E+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 BTC as substrate preincubated for 15 mins followed by substrate addition measured at 1 min intervals by Ellman ...				Bioorg Med Chem 24: 672-80 (2016) Article DOI: 10.1016/j.bmc.2015.12.031 BindingDB Entry DOI: 10.7270/Q2ZP4801
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50140545 (CHEMBL3752790) Show SMILES COc1ccc(cc1)-c1cc(=O)c2ccc(OCCCCCCCCN3CCCC3)cc2o1 Show InChI InChI=1S/C28H35NO4/c1-31-23-12-10-22(11-13-23)27-21-26(30)25-15-14-24(20-28(25)33-27)32-19-9-5-3-2-4-6-16-29-17-7-8-18-29/h10-15,20-21H,2-9,16-19H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.42E+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 BTC as substrate preincubated for 15 mins followed by substrate addition measured at 1 min intervals by Ellman ...				Bioorg Med Chem 24: 672-80 (2016) Article DOI: 10.1016/j.bmc.2015.12.031 BindingDB Entry DOI: 10.7270/Q2ZP4801
					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	6.35E+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 ATC as substrate preincubated for 15 mins followed by substrate addition measured at 1 min intervals by Ellman ...				Bioorg Med Chem 24: 672-80 (2016) Article DOI: 10.1016/j.bmc.2015.12.031 BindingDB Entry DOI: 10.7270/Q2ZP4801
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50140564 (CHEMBL3752109) Show SMILES Brc1ccc(cc1)-c1cc(=O)c2ccc(OCCCCCCCCN3CCCC3)cc2o1 Show InChI InChI=1S/C27H32BrNO3/c28-22-11-9-21(10-12-22)26-20-25(30)24-14-13-23(19-27(24)32-26)31-18-8-4-2-1-3-5-15-29-16-6-7-17-29/h9-14,19-20H,1-8,15-18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.03E+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 BTC as substrate preincubated for 15 mins followed by substrate addition measured at 1 min intervals by Ellman ...				Bioorg Med Chem 24: 672-80 (2016) Article DOI: 10.1016/j.bmc.2015.12.031 BindingDB Entry DOI: 10.7270/Q2ZP4801
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50140451 (CHEMBL3754264) Show SMILES O=c1cc(oc2cc(OCCCCCCCCN3CCCC3)ccc12)-c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C34H39NO4/c36-32-25-33(28-14-16-29(17-15-28)38-26-27-12-6-5-7-13-27)39-34-24-30(18-19-31(32)34)37-23-11-4-2-1-3-8-20-35-21-9-10-22-35/h5-7,12-19,24-25H,1-4,8-11,20-23,26H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+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 BTC as substrate preincubated for 15 mins followed by substrate addition measured at 1 min intervals by Ellman ...				Bioorg Med Chem 24: 672-80 (2016) Article DOI: 10.1016/j.bmc.2015.12.031 BindingDB Entry DOI: 10.7270/Q2ZP4801
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50140453 (CHEMBL3752142) Show SMILES O=c1cc(oc2cc(OCCCCCCCCN3CCCC3)ccc12)-c1cccc(OCc2ccccc2)c1 Show InChI InChI=1S/C34H39NO4/c36-32-25-33(28-15-12-16-29(23-28)38-26-27-13-6-5-7-14-27)39-34-24-30(17-18-31(32)34)37-22-11-4-2-1-3-8-19-35-20-9-10-21-35/h5-7,12-18,23-25H,1-4,8-11,19-22,26H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+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 BTC as substrate preincubated for 15 mins followed by substrate addition measured at 1 min intervals by Ellman ...				Bioorg Med Chem 24: 672-80 (2016) Article DOI: 10.1016/j.bmc.2015.12.031 BindingDB Entry DOI: 10.7270/Q2ZP4801
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50140561 (CHEMBL3753650) Show SMILES O=c1cc(oc2cc(OCCCCCCCCN3CCCC3)ccc12)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C33H37NO3/c35-31-25-32(28-16-14-27(15-17-28)26-12-6-5-7-13-26)37-33-24-29(18-19-30(31)33)36-23-11-4-2-1-3-8-20-34-21-9-10-22-34/h5-7,12-19,24-25H,1-4,8-11,20-23H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+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 BTC as substrate preincubated for 15 mins followed by substrate addition measured at 1 min intervals by Ellman ...				Bioorg Med Chem 24: 672-80 (2016) Article DOI: 10.1016/j.bmc.2015.12.031 BindingDB Entry DOI: 10.7270/Q2ZP4801
					More data for this Ligand-Target Pair