Compile Data Set for Download or QSAR

Found 552 hits with Last Name = 'tan' and Initial = 'jh'   

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))	BDBM50433027 (CHEMBL2375941) Show SMILES Fc1ccc[n+](CC(=O)Nc2ccc3nc4c5[nH]c6ccccc6c5ccn4c(=O)c3c2)c1 Show InChI InChI=1S/C25H16FN5O2/c26-15-4-3-10-30(13-15)14-22(32)27-16-7-8-21-19(12-16)25(33)31-11-9-18-17-5-1-2-6-20(17)28-23(18)24(31)29-21/h1-13H,14H2,(H-,27,28,29,32,33)/p+1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of electric eel acetylcholinesterase using acetylthiocholine as substrate incubated for 15 mins followed by substrate addition measured fo...				Eur J Med Chem 63: 299-312 (2013) Article DOI: 10.1016/j.ejmech.2013.02.014 BindingDB Entry DOI: 10.7270/Q2SQ91RP
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50433028 (CHEMBL2375940) Show SMILES O=C(C[n+]1ccccc1)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1 Show InChI InChI=1S/C25H17N5O2/c31-22(15-29-11-4-1-5-12-29)26-16-8-9-21-19(14-16)25(32)30-13-10-18-17-6-2-3-7-20(17)27-23(18)24(30)28-21/h1-14H,15H2,(H-,26,27,28,31,32)/p+1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of electric eel acetylcholinesterase using acetylthiocholine as substrate incubated for 15 mins followed by substrate addition measured fo...				Eur J Med Chem 63: 299-312 (2013) Article DOI: 10.1016/j.ejmech.2013.02.014 BindingDB Entry DOI: 10.7270/Q2SQ91RP
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50433018 (CHEMBL2375923) Show SMILES Fc1ccc[n+](CCC(=O)Nc2ccc3nc4c5[nH]c6ccccc6c5ccn4c(=O)c3c2)c1 Show InChI InChI=1S/C26H18FN5O2/c27-16-4-3-11-31(15-16)12-10-23(33)28-17-7-8-22-20(14-17)26(34)32-13-9-19-18-5-1-2-6-21(18)29-24(19)25(32)30-22/h1-9,11,13-15H,10,12H2,(H-,28,29,30,33,34)/p+1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of electric eel acetylcholinesterase using acetylthiocholine as substrate incubated for 15 mins followed by substrate addition measured fo...				Eur J Med Chem 63: 299-312 (2013) Article DOI: 10.1016/j.ejmech.2013.02.014 BindingDB Entry DOI: 10.7270/Q2SQ91RP
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50433019 (CHEMBL2375922) Show SMILES O=C(CC[n+]1ccccc1)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1 Show InChI InChI=1S/C26H19N5O2/c32-23(11-14-30-12-4-1-5-13-30)27-17-8-9-22-20(16-17)26(33)31-15-10-19-18-6-2-3-7-21(18)28-24(19)25(31)29-22/h1-10,12-13,15-16H,11,14H2,(H-,27,28,29,32,33)/p+1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of electric eel acetylcholinesterase using acetylthiocholine as substrate incubated for 15 mins followed by substrate addition measured fo...				Eur J Med Chem 63: 299-312 (2013) Article DOI: 10.1016/j.ejmech.2013.02.014 BindingDB Entry DOI: 10.7270/Q2SQ91RP
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50333767 (CHEMBL1644288 | N1-(1,2,3,4-Tetrahydroacridin-9-yl...) Show SMILES COc1cc(CNCCCCCCNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C29H39N3O3/c1-33-26-18-21(19-27(34-2)29(26)35-3)20-30-16-10-4-5-11-17-31-28-22-12-6-8-14-24(22)32-25-15-9-7-13-23(25)28/h6,8,12,14,18-19,30H,4-5,7,9-11,13,15-17,20H2,1-3H3,(H,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.59	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of equine BChE by Ellman's method				Bioorg Med Chem 19: 763-70 (2011) Article DOI: 10.1016/j.bmc.2010.12.022 BindingDB Entry DOI: 10.7270/Q2T43TB0
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50333763 (CHEMBL1644292 | N1-(3,4-Dimethoxybenzyl)-N6-(1,2,3...) Show SMILES COc1ccc(CNCCCCCCNc2c3CCCCc3nc3ccccc23)cc1OC Show InChI InChI=1S/C28H37N3O2/c1-32-26-16-15-21(19-27(26)33-2)20-29-17-9-3-4-10-18-30-28-22-11-5-7-13-24(22)31-25-14-8-6-12-23(25)28/h5,7,11,13,15-16,19,29H,3-4,6,8-10,12,14,17-18,20H2,1-2H3,(H,30,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.68	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of equine BChE by Ellman's method				Bioorg Med Chem 19: 763-70 (2011) Article DOI: 10.1016/j.bmc.2010.12.022 BindingDB Entry DOI: 10.7270/Q2T43TB0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50433022 (CHEMBL2375919) Show SMILES O=C(COc1cccnc1)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1 Show InChI InChI=1S/C25H17N5O3/c31-22(14-33-16-4-3-10-26-13-16)27-15-7-8-21-19(12-15)25(32)30-11-9-18-17-5-1-2-6-20(17)28-23(18)24(30)29-21/h1-13,28H,14H2,(H,27,31)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of electric eel acetylcholinesterase using acetylthiocholine as substrate incubated for 15 mins followed by substrate addition measured fo...				Eur J Med Chem 63: 299-312 (2013) Article DOI: 10.1016/j.ejmech.2013.02.014 BindingDB Entry DOI: 10.7270/Q2SQ91RP
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50333765 (CHEMBL1644290 | N1-(1,2,3,4-Tetrahydroacridin-9-yl...) Show SMILES COc1cc(CNCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C31H43N3O3/c1-35-28-20-23(21-29(36-2)31(28)37-3)22-32-18-12-6-4-5-7-13-19-33-30-24-14-8-10-16-26(24)34-27-17-11-9-15-25(27)30/h8,10,14,16,20-21,32H,4-7,9,11-13,15,17-19,22H2,1-3H3,(H,33,34)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.38	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of equine BChE by Ellman's method				Bioorg Med Chem 19: 763-70 (2011) Article DOI: 10.1016/j.bmc.2010.12.022 BindingDB Entry DOI: 10.7270/Q2T43TB0
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50333766 (CHEMBL1644289 | N1-(1,2,3,4-Tetrahydroacridin-9-yl...) Show SMILES COc1cc(CNCCCCCCCNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C30H41N3O3/c1-34-27-19-22(20-28(35-2)30(27)36-3)21-31-17-11-5-4-6-12-18-32-29-23-13-7-9-15-25(23)33-26-16-10-8-14-24(26)29/h7,9,13,15,19-20,31H,4-6,8,10-12,14,16-18,21H2,1-3H3,(H,32,33)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.55	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of equine BChE by Ellman's method				Bioorg Med Chem 19: 763-70 (2011) Article DOI: 10.1016/j.bmc.2010.12.022 BindingDB Entry DOI: 10.7270/Q2T43TB0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50433005 (CHEMBL2375936) Show SMILES O=C(CCC[n+]1ccccc1)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1 Show InChI InChI=1S/C27H21N5O2/c33-24(9-6-15-31-13-4-1-5-14-31)28-18-10-11-23-21(17-18)27(34)32-16-12-20-19-7-2-3-8-22(19)29-25(20)26(32)30-23/h1-5,7-8,10-14,16-17H,6,9,15H2,(H-,28,29,30,33,34)/p+1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of electric eel acetylcholinesterase using acetylthiocholine as substrate incubated for 15 mins followed by substrate addition measured fo...				Eur J Med Chem 63: 299-312 (2013) Article DOI: 10.1016/j.ejmech.2013.02.014 BindingDB Entry DOI: 10.7270/Q2SQ91RP
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50333764 (CHEMBL1644291 | N1-(1,2,3,4-Tetrahydroacridin-9-yl...) Show SMILES COc1cc(CNCCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C32H45N3O3/c1-36-29-21-24(22-30(37-2)32(29)38-3)23-33-19-13-7-5-4-6-8-14-20-34-31-25-15-9-11-17-27(25)35-28-18-12-10-16-26(28)31/h9,11,15,17,21-22,33H,4-8,10,12-14,16,18-20,23H2,1-3H3,(H,34,35)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.73	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of equine BChE by Ellman's method				Bioorg Med Chem 19: 763-70 (2011) Article DOI: 10.1016/j.bmc.2010.12.022 BindingDB Entry DOI: 10.7270/Q2T43TB0
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50333771 (CHEMBL1644284 | N1-((7-Methoxybenzo[d][1,3]dioxol-...) Show SMILES COc1cc(CNCCCCCCNc2c3CCCCc3nc3ccccc23)cc2OCOc12 Show InChI InChI=1S/C28H35N3O3/c1-32-25-16-20(17-26-28(25)34-19-33-26)18-29-14-8-2-3-9-15-30-27-21-10-4-6-12-23(21)31-24-13-7-5-11-22(24)27/h4,6,10,12,16-17,29H,2-3,5,7-9,11,13-15,18-19H2,1H3,(H,30,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.19	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of equine BChE by Ellman's method				Bioorg Med Chem 19: 763-70 (2011) Article DOI: 10.1016/j.bmc.2010.12.022 BindingDB Entry DOI: 10.7270/Q2T43TB0
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50333762 (CHEMBL1644293 | N1-(3,4-Dimethoxybenzyl)-N7-(1,2,3...) Show SMILES COc1ccc(CNCCCCCCCNc2c3CCCCc3nc3ccccc23)cc1OC Show InChI InChI=1S/C29H39N3O2/c1-33-27-17-16-22(20-28(27)34-2)21-30-18-10-4-3-5-11-19-31-29-23-12-6-8-14-25(23)32-26-15-9-7-13-24(26)29/h6,8,12,14,16-17,20,30H,3-5,7,9-11,13,15,18-19,21H2,1-2H3,(H,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.51	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of equine BChE by Ellman's method				Bioorg Med Chem 19: 763-70 (2011) Article DOI: 10.1016/j.bmc.2010.12.022 BindingDB Entry DOI: 10.7270/Q2T43TB0
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50333761 (CHEMBL1644294 | N1-(3,4-Dimethoxybenzyl)-N8-(1,2,3...) Show SMILES COc1ccc(CNCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc1OC Show InChI InChI=1S/C30H41N3O2/c1-34-28-18-17-23(21-29(28)35-2)22-31-19-11-5-3-4-6-12-20-32-30-24-13-7-9-15-26(24)33-27-16-10-8-14-25(27)30/h7,9,13,15,17-18,21,31H,3-6,8,10-12,14,16,19-20,22H2,1-2H3,(H,32,33)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.57	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of equine BChE by Ellman's method				Bioorg Med Chem 19: 763-70 (2011) Article DOI: 10.1016/j.bmc.2010.12.022 BindingDB Entry DOI: 10.7270/Q2T43TB0
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50333760 (CHEMBL1644295 | N1-(3,4-Dimethoxybenzyl)-N9-(1,2,3...) Show SMILES COc1ccc(CNCCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc1OC Show InChI InChI=1S/C31H43N3O2/c1-35-29-19-18-24(22-30(29)36-2)23-32-20-12-6-4-3-5-7-13-21-33-31-25-14-8-10-16-27(25)34-28-17-11-9-15-26(28)31/h8,10,14,16,18-19,22,32H,3-7,9,11-13,15,17,20-21,23H2,1-2H3,(H,33,34)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.67	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of equine BChE by Ellman's method				Bioorg Med Chem 19: 763-70 (2011) Article DOI: 10.1016/j.bmc.2010.12.022 BindingDB Entry DOI: 10.7270/Q2T43TB0
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50333769 (CHEMBL1644286 | N1-((7-Methoxybenzo[d][1,3]dioxol-...) Show SMILES COc1cc(CNCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc2OCOc12 Show InChI InChI=1S/C30H39N3O3/c1-34-27-18-22(19-28-30(27)36-21-35-28)20-31-16-10-4-2-3-5-11-17-32-29-23-12-6-8-14-25(23)33-26-15-9-7-13-24(26)29/h6,8,12,14,18-19,31H,2-5,7,9-11,13,15-17,20-21H2,1H3,(H,32,33)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.94	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of equine BChE by Ellman's method				Bioorg Med Chem 19: 763-70 (2011) Article DOI: 10.1016/j.bmc.2010.12.022 BindingDB Entry DOI: 10.7270/Q2T43TB0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50333769 (CHEMBL1644286 | N1-((7-Methoxybenzo[d][1,3]dioxol-...) Show SMILES COc1cc(CNCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc2OCOc12 Show InChI InChI=1S/C30H39N3O3/c1-34-27-18-22(19-28-30(27)36-21-35-28)20-31-16-10-4-2-3-5-11-17-32-29-23-12-6-8-14-25(23)33-26-15-9-7-13-24(26)29/h6,8,12,14,18-19,31H,2-5,7,9-11,13,15-17,20-21H2,1H3,(H,32,33)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.98	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Bioorg Med Chem 19: 763-70 (2011) Article DOI: 10.1016/j.bmc.2010.12.022 BindingDB Entry DOI: 10.7270/Q2T43TB0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50433026 (CHEMBL2375942) Show SMILES Cn1cc[n+](CC(=O)Nc2ccc3nc4c5[nH]c6ccccc6c5ccn4c(=O)c3c2)c1 Show InChI InChI=1S/C24H18N6O2/c1-28-10-11-29(14-28)13-21(31)25-15-6-7-20-18(12-15)24(32)30-9-8-17-16-4-2-3-5-19(16)26-22(17)23(30)27-20/h2-12,14H,13H2,1H3,(H-,25,26,27,31,32)/p+1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of electric eel acetylcholinesterase using acetylthiocholine as substrate incubated for 15 mins followed by substrate addition measured fo...				Eur J Med Chem 63: 299-312 (2013) Article DOI: 10.1016/j.ejmech.2013.02.014 BindingDB Entry DOI: 10.7270/Q2SQ91RP
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50433017 (CHEMBL2375924) Show SMILES Cn1cc[n+](CCC(=O)Nc2ccc3nc4c5[nH]c6ccccc6c5ccn4c(=O)c3c2)c1 Show InChI InChI=1S/C25H20N6O2/c1-29-12-13-30(15-29)10-9-22(32)26-16-6-7-21-19(14-16)25(33)31-11-8-18-17-4-2-3-5-20(17)27-23(18)24(31)28-21/h2-8,11-15H,9-10H2,1H3,(H-,26,27,28,32,33)/p+1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of electric eel acetylcholinesterase using acetylthiocholine as substrate incubated for 15 mins followed by substrate addition measured fo...				Eur J Med Chem 63: 299-312 (2013) Article DOI: 10.1016/j.ejmech.2013.02.014 BindingDB Entry DOI: 10.7270/Q2SQ91RP
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50333770 (CHEMBL1644285 | N1-((7-Methoxybenzo[d][1,3]dioxol-...) Show SMILES COc1cc(CNCCCCCCCNc2c3CCCCc3nc3ccccc23)cc2OCOc12 Show InChI InChI=1S/C29H37N3O3/c1-33-26-17-21(18-27-29(26)35-20-34-27)19-30-15-9-3-2-4-10-16-31-28-22-11-5-7-13-24(22)32-25-14-8-6-12-23(25)28/h5,7,11,13,17-18,30H,2-4,6,8-10,12,14-16,19-20H2,1H3,(H,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.73	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of equine BChE by Ellman's method				Bioorg Med Chem 19: 763-70 (2011) Article DOI: 10.1016/j.bmc.2010.12.022 BindingDB Entry DOI: 10.7270/Q2T43TB0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50333765 (CHEMBL1644290 | N1-(1,2,3,4-Tetrahydroacridin-9-yl...) Show SMILES COc1cc(CNCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C31H43N3O3/c1-35-28-20-23(21-29(36-2)31(28)37-3)22-32-18-12-6-4-5-7-13-19-33-30-24-14-8-10-16-26(24)34-27-17-11-9-15-25(27)30/h8,10,14,16,20-21,32H,4-7,9,11-13,15,17-19,22H2,1-3H3,(H,33,34)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.77	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Bioorg Med Chem 19: 763-70 (2011) Article DOI: 10.1016/j.bmc.2010.12.022 BindingDB Entry DOI: 10.7270/Q2T43TB0
					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	10	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of equine serum BuchE				Bioorg Med Chem Lett 18: 3790-3 (2008) Article DOI: 10.1016/j.bmcl.2008.05.039 BindingDB Entry DOI: 10.7270/Q2154GTQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50316369 (3-(2-N-Piperidyl-acetamino)-7,8-dehydrorutaecarpin...) Show SMILES O=C(CN1CCCCC1)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1 Show InChI InChI=1S/C25H23N5O2/c31-22(15-29-11-4-1-5-12-29)26-16-8-9-21-19(14-16)25(32)30-13-10-18-17-6-2-3-7-20(17)27-23(18)24(30)28-21/h2-3,6-10,13-14,27H,1,4-5,11-12,15H2,(H,26,31)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10.1	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description inhibition of electic eel AChE by Ellman's method				Eur J Med Chem 45: 1415-23 (2010) Article DOI: 10.1016/j.ejmech.2009.12.044 BindingDB Entry DOI: 10.7270/Q2CN742S
					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	11	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE by Ellman's method				Eur J Med Chem 46: 1572-81 (2011) Article DOI: 10.1016/j.ejmech.2011.02.005 BindingDB Entry DOI: 10.7270/Q2TM7BFW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50333761 (CHEMBL1644294 | N1-(3,4-Dimethoxybenzyl)-N8-(1,2,3...) Show SMILES COc1ccc(CNCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc1OC Show InChI InChI=1S/C30H41N3O2/c1-34-28-18-17-23(21-29(28)35-2)22-31-19-11-5-3-4-6-12-20-32-30-24-13-7-9-15-26(24)33-27-16-10-8-14-25(27)30/h7,9,13,15,17-18,21,31H,3-6,8,10-12,14,16,19-20,22H2,1-2H3,(H,32,33)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11.3	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Bioorg Med Chem 19: 763-70 (2011) Article DOI: 10.1016/j.bmc.2010.12.022 BindingDB Entry DOI: 10.7270/Q2T43TB0
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50333768 (CHEMBL1644287 | N1-((7-Methoxybenzo[d][1,3]dioxol-...) Show SMILES COc1cc(CNCCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc2OCOc12 Show InChI InChI=1S/C31H41N3O3/c1-35-28-19-23(20-29-31(28)37-22-36-29)21-32-17-11-5-3-2-4-6-12-18-33-30-24-13-7-9-15-26(24)34-27-16-10-8-14-25(27)30/h7,9,13,15,19-20,32H,2-6,8,10-12,14,16-18,21-22H2,1H3,(H,33,34)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11.4	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of equine BChE by Ellman's method				Bioorg Med Chem 19: 763-70 (2011) Article DOI: 10.1016/j.bmc.2010.12.022 BindingDB Entry DOI: 10.7270/Q2T43TB0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50433004 (CHEMBL2375937) Show SMILES Cn1cc[n+](CCCC(=O)Nc2ccc3nc4c5[nH]c6ccccc6c5ccn4c(=O)c3c2)c1 Show InChI InChI=1S/C26H22N6O2/c1-30-13-14-31(16-30)11-4-7-23(33)27-17-8-9-22-20(15-17)26(34)32-12-10-19-18-5-2-3-6-21(18)28-24(19)25(32)29-22/h2-3,5-6,8-10,12-16H,4,7,11H2,1H3,(H-,27,28,29,33,34)/p+1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of electric eel acetylcholinesterase using acetylthiocholine as substrate incubated for 15 mins followed by substrate addition measured fo...				Eur J Med Chem 63: 299-312 (2013) Article DOI: 10.1016/j.ejmech.2013.02.014 BindingDB Entry DOI: 10.7270/Q2SQ91RP
					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	14	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of equine serum butyrylcholinesterase using butyrylthiocholine chloride as substrate preincubated for 15 mins before substrate addition by...				Bioorg Med Chem 20: 2527-34 (2012) Article DOI: 10.1016/j.bmc.2012.02.061 BindingDB Entry DOI: 10.7270/Q26111B3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50433014 (CHEMBL2375927) Show SMILES O=C(CCN1CCCC1)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1 Show InChI InChI=1S/C25H23N5O2/c31-22(10-13-29-11-3-4-12-29)26-16-7-8-21-19(15-16)25(32)30-14-9-18-17-5-1-2-6-20(17)27-23(18)24(30)28-21/h1-2,5-9,14-15,27H,3-4,10-13H2,(H,26,31)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of electric eel acetylcholinesterase using acetylthiocholine as substrate incubated for 15 mins followed by substrate addition measured fo...				Eur J Med Chem 63: 299-312 (2013) Article DOI: 10.1016/j.ejmech.2013.02.014 BindingDB Entry DOI: 10.7270/Q2SQ91RP
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50433010 (CHEMBL2375931) Show SMILES O=C(CCOc1cccnc1)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1 Show InChI InChI=1S/C26H19N5O3/c32-23(10-13-34-17-4-3-11-27-15-17)28-16-7-8-22-20(14-16)26(33)31-12-9-19-18-5-1-2-6-21(18)29-24(19)25(31)30-22/h1-9,11-12,14-15,29H,10,13H2,(H,28,32)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of electric eel acetylcholinesterase using acetylthiocholine as substrate incubated for 15 mins followed by substrate addition measured fo...				Eur J Med Chem 63: 299-312 (2013) Article DOI: 10.1016/j.ejmech.2013.02.014 BindingDB Entry DOI: 10.7270/Q2SQ91RP
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50333766 (CHEMBL1644289 | N1-(1,2,3,4-Tetrahydroacridin-9-yl...) Show SMILES COc1cc(CNCCCCCCCNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C30H41N3O3/c1-34-27-19-22(20-28(35-2)30(27)36-3)21-31-17-11-5-4-6-12-18-32-29-23-13-7-9-15-25(23)33-26-16-10-8-14-24(26)29/h7,9,13,15,19-20,31H,4-6,8,10-12,14,16-18,21H2,1-3H3,(H,32,33)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17.3	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Bioorg Med Chem 19: 763-70 (2011) Article DOI: 10.1016/j.bmc.2010.12.022 BindingDB Entry DOI: 10.7270/Q2T43TB0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50333770 (CHEMBL1644285 | N1-((7-Methoxybenzo[d][1,3]dioxol-...) Show SMILES COc1cc(CNCCCCCCCNc2c3CCCCc3nc3ccccc23)cc2OCOc12 Show InChI InChI=1S/C29H37N3O3/c1-33-26-17-21(18-27-29(26)35-20-34-27)19-30-15-9-3-2-4-10-16-31-28-22-11-5-7-13-24(22)32-25-14-8-6-12-23(25)28/h5,7,11,13,17-18,30H,2-4,6,8-10,12,14-16,19-20H2,1H3,(H,31,32)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18.4	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Bioorg Med Chem 19: 763-70 (2011) Article DOI: 10.1016/j.bmc.2010.12.022 BindingDB Entry DOI: 10.7270/Q2T43TB0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50333768 (CHEMBL1644287 | N1-((7-Methoxybenzo[d][1,3]dioxol-...) Show SMILES COc1cc(CNCCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc2OCOc12 Show InChI InChI=1S/C31H41N3O3/c1-35-28-19-23(20-29-31(28)37-22-36-29)21-32-17-11-5-3-2-4-6-12-18-33-30-24-13-7-9-15-26(24)34-27-16-10-8-14-25(27)30/h7,9,13,15,19-20,32H,2-6,8,10-12,14,16-18,21-22H2,1H3,(H,33,34)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18.7	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Bioorg Med Chem 19: 763-70 (2011) Article DOI: 10.1016/j.bmc.2010.12.022 BindingDB Entry DOI: 10.7270/Q2T43TB0
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human serum BuChE using butylthiocholine chloride as substrate pretreated for 15 mins followed by substrate addition measured for 2 min...				Eur J Med Chem 130: 139-153 (2017) Article DOI: 10.1016/j.ejmech.2017.02.042 BindingDB Entry DOI: 10.7270/Q2P55R0J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 6 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01058 BindingDB Entry DOI: 10.7270/Q2ZC86W8
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50333764 (CHEMBL1644291 | N1-(1,2,3,4-Tetrahydroacridin-9-yl...) Show SMILES COc1cc(CNCCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C32H45N3O3/c1-36-29-21-24(22-30(37-2)32(29)38-3)23-33-19-13-7-5-4-6-8-14-20-34-31-25-15-9-11-17-27(25)35-28-18-12-10-16-26(28)31/h9,11,15,17,21-22,33H,4-8,10,12-14,16,18-20,23H2,1-3H3,(H,34,35)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20.2	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Bioorg Med Chem 19: 763-70 (2011) Article DOI: 10.1016/j.bmc.2010.12.022 BindingDB Entry DOI: 10.7270/Q2T43TB0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50333771 (CHEMBL1644284 | N1-((7-Methoxybenzo[d][1,3]dioxol-...) Show SMILES COc1cc(CNCCCCCCNc2c3CCCCc3nc3ccccc23)cc2OCOc12 Show InChI InChI=1S/C28H35N3O3/c1-32-25-16-20(17-26-28(25)34-19-33-26)18-29-14-8-2-3-9-15-30-27-21-10-4-6-12-23(21)31-24-13-7-5-11-22(24)27/h4,6,10,12,16-17,29H,2-3,5,7-9,11,13-15,18-19H2,1H3,(H,30,31)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20.5	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Bioorg Med Chem 19: 763-70 (2011) Article DOI: 10.1016/j.bmc.2010.12.022 BindingDB Entry DOI: 10.7270/Q2T43TB0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM240807 (N-(2-(1H-indol-2-yl)-4-oxo-3,4-dihydroquinazolin-6...) Show SMILES O=C(CCN1CCCCC1)Nc1ccc2nc([nH]c(=O)c2c1)-c1cc2ccccc2[nH]1 Show InChI InChI=1S/C24H25N5O2/c30-22(10-13-29-11-4-1-5-12-29)25-17-8-9-20-18(15-17)24(31)28-23(27-20)21-14-16-6-2-3-7-19(16)26-21/h2-3,6-9,14-15,26H,1,4-5,10-13H2,(H,25,30)(H,27,28,31)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21.0	n/a	n/a	n/a	n/a	8.0	n/a
Sun Yat-sen University					Assay Description All the assays were under 0.1 M KH2PO4/K2HPO4 buffer, pH 8.0, using a Shimadzu 2450 Spectrophotometer. Enzyme solutions were prepared to give 2 units...				J Enzyme Inhib Med Chem 28: 583-92 (2013) Article DOI: 10.3109/14756366.2012.663363 BindingDB Entry DOI: 10.7270/Q28914SJ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50316366 (3-(2-N-Piperidyl-propionamino)-rutaecarpine | CHEM...) Show SMILES O=C(CCN1CCCCC1)Nc1ccc2nc3-c4[nH]c5ccccc5c4CCn3c(=O)c2c1 Show InChI InChI=1S/C26H27N5O2/c32-23(11-14-30-12-4-1-5-13-30)27-17-8-9-22-20(16-17)26(33)31-15-10-19-18-6-2-3-7-21(18)28-24(19)25(31)29-22/h2-3,6-9,16,28H,1,4-5,10-15H2,(H,27,32)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21.4	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description inhibition of electic eel AChE by Ellman's method				Eur J Med Chem 45: 1415-23 (2010) Article DOI: 10.1016/j.ejmech.2009.12.044 BindingDB Entry DOI: 10.7270/Q2CN742S
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50342765 (4-(3-(Piperidin-1-yl)propoxy)-7H-dibenzo[de,h]quin...) Show SMILES O=C1c2ccccc2-c2nccc3c(OCCCN4CCCCC4)ccc1c23 Show InChI InChI=1S/C24H24N2O2/c27-24-18-8-3-2-7-17(18)23-22-19(11-12-25-23)21(10-9-20(22)24)28-16-6-15-26-13-4-1-5-14-26/h2-3,7-12H,1,4-6,13-16H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Eur J Med Chem 46: 1572-81 (2011) Article DOI: 10.1016/j.ejmech.2011.02.005 BindingDB Entry DOI: 10.7270/Q2TM7BFW
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50333767 (CHEMBL1644288 | N1-(1,2,3,4-Tetrahydroacridin-9-yl...) Show SMILES COc1cc(CNCCCCCCNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C29H39N3O3/c1-33-26-18-21(19-27(34-2)29(26)35-3)20-30-16-10-4-5-11-17-31-28-22-12-6-8-14-24(22)32-25-15-9-7-13-23(25)28/h6,8,12,14,18-19,30H,4-5,7,9-11,13,15-17,20H2,1-3H3,(H,31,32)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22.4	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Bioorg Med Chem 19: 763-70 (2011) Article DOI: 10.1016/j.bmc.2010.12.022 BindingDB Entry DOI: 10.7270/Q2T43TB0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50380184 (CHEMBL2011200) Show SMILES Clc1ccc2c(c1)nc1\C(CCn1c2=O)=C\c1ccc(NC(=O)CCN2CCCCC2)cc1 Show InChI InChI=1S/C26H27ClN4O2/c27-20-6-9-22-23(17-20)29-25-19(10-15-31(25)26(22)33)16-18-4-7-21(8-5-18)28-24(32)11-14-30-12-2-1-3-13-30/h4-9,16-17H,1-3,10-15H2,(H,28,32)/b19-16+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of electric eel acetylcholinesterase using acetylcholine chloride as substrate preincubated for 15 mins before substrate addition by Ellma...				Bioorg Med Chem 20: 2527-34 (2012) Article DOI: 10.1016/j.bmc.2012.02.061 BindingDB Entry DOI: 10.7270/Q26111B3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50316368 (3-(2-N-Pyrrolyl-acetamino)-7,8-dehydrorutaecarpine...) Show SMILES O=C(CN1CCCC1)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1 Show InChI InChI=1S/C24H21N5O2/c30-21(14-28-10-3-4-11-28)25-15-7-8-20-18(13-15)24(31)29-12-9-17-16-5-1-2-6-19(16)26-22(17)23(29)27-20/h1-2,5-9,12-13,26H,3-4,10-11,14H2,(H,25,30)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23.6	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description inhibition of electic eel AChE by Ellman's method				Eur J Med Chem 45: 1415-23 (2010) Article DOI: 10.1016/j.ejmech.2009.12.044 BindingDB Entry DOI: 10.7270/Q2CN742S
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50333762 (CHEMBL1644293 | N1-(3,4-Dimethoxybenzyl)-N7-(1,2,3...) Show SMILES COc1ccc(CNCCCCCCCNc2c3CCCCc3nc3ccccc23)cc1OC Show InChI InChI=1S/C29H39N3O2/c1-33-27-17-16-22(20-28(27)34-2)21-30-18-10-4-3-5-11-19-31-29-23-12-6-8-14-25(23)32-26-15-9-7-13-24(26)29/h6,8,12,14,16-17,20,30H,3-5,7,9-11,13,15,18-19,21H2,1-2H3,(H,31,32)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24.0	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Bioorg Med Chem 19: 763-70 (2011) Article DOI: 10.1016/j.bmc.2010.12.022 BindingDB Entry DOI: 10.7270/Q2T43TB0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50333760 (CHEMBL1644295 | N1-(3,4-Dimethoxybenzyl)-N9-(1,2,3...) Show SMILES COc1ccc(CNCCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc1OC Show InChI InChI=1S/C31H43N3O2/c1-35-29-19-18-24(22-30(29)36-2)23-32-20-12-6-4-3-5-7-13-21-33-31-25-14-8-10-16-27(25)34-28-17-11-9-15-26(28)31/h8,10,14,16,18-19,22,32H,3-7,9,11-13,15,17,20-21,23H2,1-2H3,(H,33,34)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25.1	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Bioorg Med Chem 19: 763-70 (2011) Article DOI: 10.1016/j.bmc.2010.12.022 BindingDB Entry DOI: 10.7270/Q2T43TB0
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (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 MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	27.1	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of equine BChE by Ellman's method				Bioorg Med Chem 19: 763-70 (2011) Article DOI: 10.1016/j.bmc.2010.12.022 BindingDB Entry DOI: 10.7270/Q2T43TB0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50316365 (3-(2-N-Pyrrolyl-propionamino)-rutaecarpine | CHEMB...) Show SMILES O=C(CCN1CCCC1)Nc1ccc2nc3-c4[nH]c5ccccc5c4CCn3c(=O)c2c1 Show InChI InChI=1S/C25H25N5O2/c31-22(10-13-29-11-3-4-12-29)26-16-7-8-21-19(15-16)25(32)30-14-9-18-17-5-1-2-6-20(17)27-23(18)24(30)28-21/h1-2,5-8,15,27H,3-4,9-14H2,(H,26,31)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29.2	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description inhibition of electic eel AChE by Ellman's method				Eur J Med Chem 45: 1415-23 (2010) Article DOI: 10.1016/j.ejmech.2009.12.044 BindingDB Entry DOI: 10.7270/Q2CN742S
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50333772 (CHEMBL1644283 | N1-((7-Methoxybenzo[d][1,3]dioxol-...) Show SMILES COc1cc(CNCCCCCNc2c3CCCCc3nc3ccccc23)cc2OCOc12 Show InChI InChI=1S/C27H33N3O3/c1-31-24-15-19(16-25-27(24)33-18-32-25)17-28-13-7-2-8-14-29-26-20-9-3-5-11-22(20)30-23-12-6-4-10-21(23)26/h3,5,9,11,15-16,28H,2,4,6-8,10,12-14,17-18H2,1H3,(H,29,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29.8	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of equine BChE by Ellman's method				Bioorg Med Chem 19: 763-70 (2011) Article DOI: 10.1016/j.bmc.2010.12.022 BindingDB Entry DOI: 10.7270/Q2T43TB0
					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	30.0	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description inhibition of equine serum BuChE by Ellman's method				Eur J Med Chem 45: 1415-23 (2010) Article DOI: 10.1016/j.ejmech.2009.12.044 BindingDB Entry DOI: 10.7270/Q2CN742S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carboxylic ester hydrolase (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 MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	30.0	n/a	n/a	n/a	n/a	8.0	n/a
Sun Yat-sen University					Assay Description All the assays were under 0.1 M KH2PO4/K2HPO4 buffer, pH 8.0, using a Shimadzu 2450 Spectrophotometer. Enzyme solutions were prepared to give 2 units...				J Enzyme Inhib Med Chem 28: 583-92 (2013) Article DOI: 10.3109/14756366.2012.663363 BindingDB Entry DOI: 10.7270/Q28914SJ
					More data for this Ligand-Target Pair				3D Structure (crystal)

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