Compile Data Set for Download or QSAR

Found 666 hits with Last Name = 'xie' and Initial = 'ss'   

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))	BDBM50079508 (CHEMBL3417300) Show SMILES Cc1c(C)c(=O)oc2cc(OCCN3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)ccc12 Show InChI InChI=1S/C33H40N4O3/c1-23-24(2)33(38)40-31-22-25(12-13-26(23)31)39-21-20-37-18-16-36(17-19-37)15-7-14-34-32-27-8-3-5-10-29(27)35-30-11-6-4-9-28(30)32/h3,5,8,10,12-13,22H,4,6-7,9,11,14-21H2,1-2H3,(H,34,35)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Mixed-type inhibition of electric eel AChE by Lineweaver-Burk plot analysis				Eur J Med Chem 95: 153-65 (2015) Article DOI: 10.1016/j.ejmech.2015.03.040 BindingDB Entry DOI: 10.7270/Q20R9R4H
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50295320 (CHEMBL4167524) Show SMILES Cc1cc(=O)oc2cc(OCCCCSC(=S)N3CCCCC3)ccc12 Show InChI InChI=1S/C20H25NO3S2/c1-15-13-19(22)24-18-14-16(7-8-17(15)18)23-11-5-6-12-26-20(25)21-9-3-2-4-10-21/h7-8,13-14H,2-6,9-12H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibitory binding concentration against VCAM/VLA-4 in Ramos.				Eur J Med Chem 146: 287-298 (2018) Article DOI: 10.1016/j.ejmech.2018.01.055 BindingDB Entry DOI: 10.7270/Q2M61NST
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435960 (CHEMBL2391486) Show SMILES Cc1cc(=O)oc2cc(OCCN3CCN(CC(=O)Nc4c5CCCCc5nc5ccccc45)CC3)ccc12 Show InChI InChI=1S/C31H34N4O4/c1-21-18-30(37)39-28-19-22(10-11-23(21)28)38-17-16-34-12-14-35(15-13-34)20-29(36)33-31-24-6-2-4-8-26(24)32-27-9-5-3-7-25(27)31/h2,4,6,8,10-11,18-19H,3,5,7,9,12-17,20H2,1H3,(H,32,33,36)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Competitive inhibition of electric eel AChE using acetylthiocholine as substrate by Lineweaver-Burk plot analysis				Eur J Med Chem 64: 540-53 (2013) Article DOI: 10.1016/j.ejmech.2013.03.051 BindingDB Entry DOI: 10.7270/Q2H996KW
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50562841 (CHEMBL4752063) Show SMILES CN(CCCCCCOc1cc(O)c2c(c1)oc1ccccc1c2=O)Cc1ccc(O)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	980	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Mixed-type inhibition of equine serum BuChE using varying levels of butylthiocholine iodide as substrate preincubated for 5 mins followed by substrat...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113154 BindingDB Entry DOI: 10.7270/Q2NG4VDK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50562841 (CHEMBL4752063) Show SMILES CN(CCCCCCOc1cc(O)c2c(c1)oc1ccccc1c2=O)Cc1ccc(O)cc1 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Mixed-type inhibition of electric eel AChE using varying levels of acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrat...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113154 BindingDB Entry DOI: 10.7270/Q2NG4VDK
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50610277 (CHEMBL5270722) Show SMILES CN(CCCCCCCCCCCCn1cc(C=O)c2cc(O)ccc12)Cc1cccc(O)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		1.77E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50456821 (CHEMBL4208961) Show SMILES [Br-].Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4ccccc4Br)cc3)ccc12 Show InChI InChI=1S/C23H19BrNO3/c1-16-12-23(26)28-22-13-19(6-7-20(16)22)27-15-17-8-10-25(11-9-17)14-18-4-2-3-5-21(18)24/h2-13H,14-15H2,1H3/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.480	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to...				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50251343 (CHEMBL4076580) Show SMILES [Br-].COc1cc2C\C(=C/c3cc[n+](Cc4ccccc4F)cc3)C(=O)c2cc1OC Show InChI InChI=1S/C24H21FNO3/c1-28-22-13-18-12-19(24(27)20(18)14-23(22)29-2)11-16-7-9-26(10-8-16)15-17-5-3-4-6-21(17)25/h3-11,13-14H,12,15H2,1-2H3/q+1/b19-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Experiment Center of Teaching& Learning, Shanghai University of Traditional Chinese Medicine, Shanghai 201203, China. Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate pretreated for 6 mins followed by substrate addition measured up to ...				Eur J Med Chem 133: 184-196 (2017) Article DOI: 10.1016/j.ejmech.2017.02.045 BindingDB Entry DOI: 10.7270/Q2FB55C0
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50282506 (7-(5-Isopropyl-[1,3,4]thiadiazol-2-ylmethoxy)-3,4-...) Show SMILES CC(C)c1nnc(COc2ccc3c(C)c(C)c(=O)oc3c2)s1 Show InChI InChI=1S/C17H18N2O3S/c1-9(2)16-19-18-15(23-16)8-21-12-5-6-13-10(3)11(4)17(20)22-14(13)7-12/h5-7,9H,8H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of MAO-B (unknown origin)				Eur J Med Chem 95: 153-65 (2015) Article DOI: 10.1016/j.ejmech.2015.03.040 BindingDB Entry DOI: 10.7270/Q20R9R4H
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50456825 (CHEMBL4210401) Show SMILES [Br-].Cc1ccccc1C[n+]1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1 Show InChI InChI=1S/C24H22NO3/c1-17-5-3-4-6-20(17)15-25-11-9-19(10-12-25)16-27-21-7-8-22-18(2)13-24(26)28-23(22)14-21/h3-14H,15-16H2,1-2H3/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to...				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50456822 (CHEMBL4205764) Show SMILES [Br-].Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4ccccc4F)cc3)ccc12 Show InChI InChI=1S/C23H19FNO3/c1-16-12-23(26)28-22-13-19(6-7-20(16)22)27-15-17-8-10-25(11-9-17)14-18-4-2-3-5-21(18)24/h2-13H,14-15H2,1H3/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to...				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50251343 (CHEMBL4076580) Show SMILES [Br-].COc1cc2C\C(=C/c3cc[n+](Cc4ccccc4F)cc3)C(=O)c2cc1OC Show InChI InChI=1S/C24H21FNO3/c1-28-22-13-18-12-19(24(27)20(18)14-23(22)29-2)11-16-7-9-26(10-8-16)15-17-5-3-4-6-21(17)25/h3-11,13-14H,12,15H2,1-2H3/q+1/b19-11+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Experiment Center of Teaching& Learning, Shanghai University of Traditional Chinese Medicine, Shanghai 201203, China. Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate pretreated for 6 mins followed by substrate addition measured up to 180 s...				Eur J Med Chem 133: 184-196 (2017) Article DOI: 10.1016/j.ejmech.2017.02.045 BindingDB Entry DOI: 10.7270/Q2FB55C0
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50456826 (CHEMBL4205520) Show SMILES [Br-].Cc1cccc(C[n+]2ccc(COc3ccc4c(C)cc(=O)oc4c3)cc2)c1 Show InChI InChI=1S/C24H22NO3/c1-17-4-3-5-20(12-17)15-25-10-8-19(9-11-25)16-27-21-6-7-22-18(2)13-24(26)28-23(22)14-21/h3-14H,15-16H2,1-2H3/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to...				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50456827 (CHEMBL4206041) Show SMILES [Br-].Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4cccc(F)c4)cc3)ccc12 Show InChI InChI=1S/C23H19FNO3/c1-16-11-23(26)28-22-13-20(5-6-21(16)22)27-15-17-7-9-25(10-8-17)14-18-3-2-4-19(24)12-18/h2-13H,14-15H2,1H3/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to...				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50117587 (1-Benzyl-4-(5,6-dimethoxy-1-oxo-indan-2-ylidenemet...) Show SMILES COc1cc2C\C(=C/c3cc[n+](Cc4ccccc4)cc3)C(=O)c2cc1OC Show InChI InChI=1S/C24H22NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-12,14-15H,13,16H2,1-2H3/q+1/b20-12+	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Experiment Center of Teaching& Learning, Shanghai University of Traditional Chinese Medicine, Shanghai 201203, China. Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate pretreated for 6 mins followed by substrate addition measured up to 180 s...				Eur J Med Chem 133: 184-196 (2017) Article DOI: 10.1016/j.ejmech.2017.02.045 BindingDB Entry DOI: 10.7270/Q2FB55C0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50251344 (CHEMBL4095035) Show SMILES [Br-].COc1cc2C\C(=C/c3cc[n+](Cc4cccc(F)c4)cc3)C(=O)c2cc1OC Show InChI InChI=1S/C24H21FNO3/c1-28-22-13-18-12-19(24(27)21(18)14-23(22)29-2)10-16-6-8-26(9-7-16)15-17-4-3-5-20(25)11-17/h3-11,13-14H,12,15H2,1-2H3/q+1/b19-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Experiment Center of Teaching& Learning, Shanghai University of Traditional Chinese Medicine, Shanghai 201203, China. Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate pretreated for 6 mins followed by substrate addition measured up to ...				Eur J Med Chem 133: 184-196 (2017) Article DOI: 10.1016/j.ejmech.2017.02.045 BindingDB Entry DOI: 10.7270/Q2FB55C0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50251349 (CHEMBL4063583) Show SMILES [Br-].COc1cc2C\C(=C/c3cc[n+](Cc4ccccc4Br)cc3)C(=O)c2cc1OC Show InChI InChI=1S/C24H21BrNO3/c1-28-22-13-18-12-19(24(27)20(18)14-23(22)29-2)11-16-7-9-26(10-8-16)15-17-5-3-4-6-21(17)25/h3-11,13-14H,12,15H2,1-2H3/q+1/b19-11+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Experiment Center of Teaching& Learning, Shanghai University of Traditional Chinese Medicine, Shanghai 201203, China. Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate pretreated for 6 mins followed by substrate addition measured up to 180 s...				Eur J Med Chem 133: 184-196 (2017) Article DOI: 10.1016/j.ejmech.2017.02.045 BindingDB Entry DOI: 10.7270/Q2FB55C0
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50456823 (CHEMBL4217755) Show SMILES [Br-].Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4ccc(F)cc4)cc3)ccc12 Show InChI InChI=1S/C23H19FNO3/c1-16-12-23(26)28-22-13-20(6-7-21(16)22)27-15-18-8-10-25(11-9-18)14-17-2-4-19(24)5-3-17/h2-13H,14-15H2,1H3/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to...				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50117587 (1-Benzyl-4-(5,6-dimethoxy-1-oxo-indan-2-ylidenemet...) Show SMILES COc1cc2C\C(=C/c3cc[n+](Cc4ccccc4)cc3)C(=O)c2cc1OC Show InChI InChI=1S/C24H22NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-12,14-15H,13,16H2,1-2H3/q+1/b20-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Experiment Center of Teaching& Learning, Shanghai University of Traditional Chinese Medicine, Shanghai 201203, China. Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate pretreated for 6 mins followed by substrate addition measured up to ...				Eur J Med Chem 133: 184-196 (2017) Article DOI: 10.1016/j.ejmech.2017.02.045 BindingDB Entry DOI: 10.7270/Q2FB55C0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50251344 (CHEMBL4095035) Show SMILES [Br-].COc1cc2C\C(=C/c3cc[n+](Cc4cccc(F)c4)cc3)C(=O)c2cc1OC Show InChI InChI=1S/C24H21FNO3/c1-28-22-13-18-12-19(24(27)21(18)14-23(22)29-2)10-16-6-8-26(9-7-16)15-17-4-3-5-20(25)11-17/h3-11,13-14H,12,15H2,1-2H3/q+1/b19-10+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Experiment Center of Teaching& Learning, Shanghai University of Traditional Chinese Medicine, Shanghai 201203, China. Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate pretreated for 6 mins followed by substrate addition measured up to 180 s...				Eur J Med Chem 133: 184-196 (2017) Article DOI: 10.1016/j.ejmech.2017.02.045 BindingDB Entry DOI: 10.7270/Q2FB55C0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50251347 (CHEMBL4101018) Show SMILES [Br-].COc1cc2C\C(=C/c3cc[n+](Cc4cccc(c4)[N+]([O-])=O)cc3)C(=O)c2cc1OC Show InChI InChI=1S/C24H21N2O5/c1-30-22-13-18-12-19(24(27)21(18)14-23(22)31-2)10-16-6-8-25(9-7-16)15-17-4-3-5-20(11-17)26(28)29/h3-11,13-14H,12,15H2,1-2H3/q+1/b19-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Experiment Center of Teaching& Learning, Shanghai University of Traditional Chinese Medicine, Shanghai 201203, China. Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate pretreated for 6 mins followed by substrate addition measured up to ...				Eur J Med Chem 133: 184-196 (2017) Article DOI: 10.1016/j.ejmech.2017.02.045 BindingDB Entry DOI: 10.7270/Q2FB55C0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50251349 (CHEMBL4063583) Show SMILES [Br-].COc1cc2C\C(=C/c3cc[n+](Cc4ccccc4Br)cc3)C(=O)c2cc1OC Show InChI InChI=1S/C24H21BrNO3/c1-28-22-13-18-12-19(24(27)20(18)14-23(22)29-2)11-16-7-9-26(10-8-16)15-17-5-3-4-6-21(17)25/h3-11,13-14H,12,15H2,1-2H3/q+1/b19-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Experiment Center of Teaching& Learning, Shanghai University of Traditional Chinese Medicine, Shanghai 201203, China. Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate pretreated for 6 mins followed by substrate addition measured up to ...				Eur J Med Chem 133: 184-196 (2017) Article DOI: 10.1016/j.ejmech.2017.02.045 BindingDB Entry DOI: 10.7270/Q2FB55C0
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50565155 (CHEMBL4790537) Show SMILES CN(CCCCCOc1ccc2C(=O)CCOc2c1)CC#C Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate measured after 15 mins by Ample...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112475 BindingDB Entry DOI: 10.7270/Q21Z485N
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50251345 (CHEMBL4084842) Show SMILES [Br-].COc1cc2C\C(=C/c3cc[n+](Cc4cccc(C)c4)cc3)C(=O)c2cc1OC Show InChI InChI=1S/C25H24NO3/c1-17-5-4-6-19(11-17)16-26-9-7-18(8-10-26)12-21-13-20-14-23(28-2)24(29-3)15-22(20)25(21)27/h4-12,14-15H,13,16H2,1-3H3/q+1/b21-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Experiment Center of Teaching& Learning, Shanghai University of Traditional Chinese Medicine, Shanghai 201203, China. Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate pretreated for 6 mins followed by substrate addition measured up to ...				Eur J Med Chem 133: 184-196 (2017) Article DOI: 10.1016/j.ejmech.2017.02.045 BindingDB Entry DOI: 10.7270/Q2FB55C0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50251342 (CHEMBL4073287) Show SMILES [Br-].COc1cc2C\C(=C/c3cc[n+](Cc4ccc(F)cc4)cc3)C(=O)c2cc1OC Show InChI InChI=1S/C24H21FNO3/c1-28-22-13-18-12-19(24(27)21(18)14-23(22)29-2)11-16-7-9-26(10-8-16)15-17-3-5-20(25)6-4-17/h3-11,13-14H,12,15H2,1-2H3/q+1/b19-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Experiment Center of Teaching& Learning, Shanghai University of Traditional Chinese Medicine, Shanghai 201203, China. Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate pretreated for 6 mins followed by substrate addition measured up to ...				Eur J Med Chem 133: 184-196 (2017) Article DOI: 10.1016/j.ejmech.2017.02.045 BindingDB Entry DOI: 10.7270/Q2FB55C0
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50456824 (CHEMBL4217466) Show SMILES [Br-].Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4ccccc4)cc3)ccc12 Show InChI InChI=1S/C23H20NO3/c1-17-13-23(25)27-22-14-20(7-8-21(17)22)26-16-19-9-11-24(12-10-19)15-18-5-3-2-4-6-18/h2-14H,15-16H2,1H3/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to...				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50251345 (CHEMBL4084842) Show SMILES [Br-].COc1cc2C\C(=C/c3cc[n+](Cc4cccc(C)c4)cc3)C(=O)c2cc1OC Show InChI InChI=1S/C25H24NO3/c1-17-5-4-6-19(11-17)16-26-9-7-18(8-10-26)12-21-13-20-14-23(28-2)24(29-3)15-22(20)25(21)27/h4-12,14-15H,13,16H2,1-3H3/q+1/b21-12+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Experiment Center of Teaching& Learning, Shanghai University of Traditional Chinese Medicine, Shanghai 201203, China. Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate pretreated for 6 mins followed by substrate addition measured up to 180 s...				Eur J Med Chem 133: 184-196 (2017) Article DOI: 10.1016/j.ejmech.2017.02.045 BindingDB Entry DOI: 10.7270/Q2FB55C0
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50099601 (CHEMBL3343930) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using S-butyrylthiocholine chloride as substrate incubated for 6 mins by spectrophotometric method				Bioorg Med Chem 22: 6089-104 (2014) Article DOI: 10.1016/j.bmc.2014.08.035 BindingDB Entry DOI: 10.7270/Q2M61N1Z
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50456817 (CHEMBL4218281) Show SMILES [Br-].Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4cccc(Br)c4)cc3)ccc12 Show InChI InChI=1S/C23H19BrNO3/c1-16-11-23(26)28-22-13-20(5-6-21(16)22)27-15-17-7-9-25(10-8-17)14-18-3-2-4-19(24)12-18/h2-13H,14-15H2,1H3/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to...				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50456820 (CHEMBL4205110) Show SMILES [Br-].Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4cccc(c4)[N+]([O-])=O)cc3)ccc12 Show InChI InChI=1S/C23H19N2O5/c1-16-11-23(26)30-22-13-20(5-6-21(16)22)29-15-17-7-9-24(10-8-17)14-18-3-2-4-19(12-18)25(27)28/h2-13H,14-15H2,1H3/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to...				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50251346 (CHEMBL4082048) Show SMILES [Br-].COc1cc2C\C(=C/c3cc[n+](Cc4cccc(Br)c4)cc3)C(=O)c2cc1OC Show InChI InChI=1S/C24H21BrNO3/c1-28-22-13-18-12-19(24(27)21(18)14-23(22)29-2)10-16-6-8-26(9-7-16)15-17-4-3-5-20(25)11-17/h3-11,13-14H,12,15H2,1-2H3/q+1/b19-10+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Experiment Center of Teaching& Learning, Shanghai University of Traditional Chinese Medicine, Shanghai 201203, China. Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate pretreated for 6 mins followed by substrate addition measured up to 180 s...				Eur J Med Chem 133: 184-196 (2017) Article DOI: 10.1016/j.ejmech.2017.02.045 BindingDB Entry DOI: 10.7270/Q2FB55C0
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to...				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM15581 (CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...) Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human MAOA expressed in baculovirus infected BTI insect cells using p-tyramine as substrate measured after 15 mins by Ample...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112475 BindingDB Entry DOI: 10.7270/Q21Z485N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50251342 (CHEMBL4073287) Show SMILES [Br-].COc1cc2C\C(=C/c3cc[n+](Cc4ccc(F)cc4)cc3)C(=O)c2cc1OC Show InChI InChI=1S/C24H21FNO3/c1-28-22-13-18-12-19(24(27)21(18)14-23(22)29-2)11-16-7-9-26(10-8-16)15-17-3-5-20(25)6-4-17/h3-11,13-14H,12,15H2,1-2H3/q+1/b19-11+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Experiment Center of Teaching& Learning, Shanghai University of Traditional Chinese Medicine, Shanghai 201203, China. Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate pretreated for 6 mins followed by substrate addition measured up to 180 s...				Eur J Med Chem 133: 184-196 (2017) Article DOI: 10.1016/j.ejmech.2017.02.045 BindingDB Entry DOI: 10.7270/Q2FB55C0
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50456818 (CHEMBL4213345) Show SMILES [Br-].Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4ccc(Br)cc4)cc3)ccc12 Show InChI InChI=1S/C23H19BrNO3/c1-16-12-23(26)28-22-13-20(6-7-21(16)22)27-15-18-8-10-25(11-9-18)14-17-2-4-19(24)5-3-17/h2-13H,14-15H2,1H3/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to...				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50251348 (CHEMBL4099391) Show SMILES [Br-].COc1cc2C\C(=C/c3cc[n+](Cc4ccccc4C)cc3)C(=O)c2cc1OC Show InChI InChI=1S/C25H24NO3/c1-17-6-4-5-7-19(17)16-26-10-8-18(9-11-26)12-21-13-20-14-23(28-2)24(29-3)15-22(20)25(21)27/h4-12,14-15H,13,16H2,1-3H3/q+1/b21-12+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Experiment Center of Teaching& Learning, Shanghai University of Traditional Chinese Medicine, Shanghai 201203, China. Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate pretreated for 6 mins followed by substrate addition measured up to 180 s...				Eur J Med Chem 133: 184-196 (2017) Article DOI: 10.1016/j.ejmech.2017.02.045 BindingDB Entry DOI: 10.7270/Q2FB55C0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50251346 (CHEMBL4082048) Show SMILES [Br-].COc1cc2C\C(=C/c3cc[n+](Cc4cccc(Br)c4)cc3)C(=O)c2cc1OC Show InChI InChI=1S/C24H21BrNO3/c1-28-22-13-18-12-19(24(27)21(18)14-23(22)29-2)10-16-6-8-26(9-7-16)15-17-4-3-5-20(25)11-17/h3-11,13-14H,12,15H2,1-2H3/q+1/b19-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Experiment Center of Teaching& Learning, Shanghai University of Traditional Chinese Medicine, Shanghai 201203, China. Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate pretreated for 6 mins followed by substrate addition measured up to ...				Eur J Med Chem 133: 184-196 (2017) Article DOI: 10.1016/j.ejmech.2017.02.045 BindingDB Entry DOI: 10.7270/Q2FB55C0
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50073116 (CHEMBL3410952) Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C31H39N3O3/c1-19-20(2)29-22(21(3)28(19)35)15-16-31(4,37-29)30(36)33-18-10-9-17-32-27-23-11-5-7-13-25(23)34-26-14-8-6-12-24(26)27/h5,7,11,13,35H,6,8-10,12,14-18H2,1-4H3,(H,32,34)(H,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins before substrate addition by Ellman's method				Eur J Med Chem 93: 42-50 (2015) Article DOI: 10.1016/j.ejmech.2015.01.058 BindingDB Entry DOI: 10.7270/Q2154JRN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50251348 (CHEMBL4099391) Show SMILES [Br-].COc1cc2C\C(=C/c3cc[n+](Cc4ccccc4C)cc3)C(=O)c2cc1OC Show InChI InChI=1S/C25H24NO3/c1-17-6-4-5-7-19(17)16-26-10-8-18(9-11-26)12-21-13-20-14-23(28-2)24(29-3)15-22(20)25(21)27/h4-12,14-15H,13,16H2,1-3H3/q+1/b21-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
Experiment Center of Teaching& Learning, Shanghai University of Traditional Chinese Medicine, Shanghai 201203, China. Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate pretreated for 6 mins followed by substrate addition measured up to ...				Eur J Med Chem 133: 184-196 (2017) Article DOI: 10.1016/j.ejmech.2017.02.045 BindingDB Entry DOI: 10.7270/Q2FB55C0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50251347 (CHEMBL4101018) Show SMILES [Br-].COc1cc2C\C(=C/c3cc[n+](Cc4cccc(c4)[N+]([O-])=O)cc3)C(=O)c2cc1OC Show InChI InChI=1S/C24H21N2O5/c1-30-22-13-18-12-19(24(27)21(18)14-23(22)31-2)10-16-6-8-25(9-7-16)15-17-4-3-5-20(11-17)26(28)29/h3-11,13-14H,12,15H2,1-2H3/q+1/b19-10+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
Experiment Center of Teaching& Learning, Shanghai University of Traditional Chinese Medicine, Shanghai 201203, China. Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate pretreated for 6 mins followed by substrate addition measured up to 180 s...				Eur J Med Chem 133: 184-196 (2017) Article DOI: 10.1016/j.ejmech.2017.02.045 BindingDB Entry DOI: 10.7270/Q2FB55C0
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50099603 (CHEMBL3343932) Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using S-butyrylthiocholine chloride as substrate incubated for 6 mins by spectrophotometric method				Bioorg Med Chem 22: 6089-104 (2014) Article DOI: 10.1016/j.bmc.2014.08.035 BindingDB Entry DOI: 10.7270/Q2M61N1Z
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50099597 (CHEMBL3343926) Show SMILES CC(C)(C)OC(=O)N1Cc2[nH]c3ccccc3c2C[C@H]1C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using S-butyrylthiocholine chloride as substrate incubated for 6 mins by spectrophotometric method				Bioorg Med Chem 22: 6089-104 (2014) Article DOI: 10.1016/j.bmc.2014.08.035 BindingDB Entry DOI: 10.7270/Q2M61N1Z
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50456819 (CHEMBL4213874) Show SMILES [Br-].Cc1ccc(C[n+]2ccc(COc3ccc4c(C)cc(=O)oc4c3)cc2)cc1 Show InChI InChI=1S/C24H22NO3/c1-17-3-5-19(6-4-17)15-25-11-9-20(10-12-25)16-27-21-7-8-22-18(2)13-24(26)28-23(22)14-21/h3-14H,15-16H2,1-2H3/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to...				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50441841 (CHEMBL2436691) Show SMILES COc1cc(OCCCN2CCN(CCCNc3c4CCCCc4nc4ccccc34)CC2)cc2occc(=O)c12 Show InChI InChI=1S/C33H40N4O4/c1-39-30-22-24(23-31-32(30)29(38)12-21-41-31)40-20-7-15-37-18-16-36(17-19-37)14-6-13-34-33-25-8-2-4-10-27(25)35-28-11-5-3-9-26(28)33/h2,4,8,10,12,21-23H,3,5-7,9,11,13-20H2,1H3,(H,34,35)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition by Ellmans method				Eur J Med Chem 69: 632-46 (2013) Article DOI: 10.1016/j.ejmech.2013.09.024 BindingDB Entry DOI: 10.7270/Q2BP048V
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50073114 (CHEMBL3410954) Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C33H43N3O3/c1-21-22(2)31-24(23(3)30(21)37)17-18-33(4,39-31)32(38)35-20-12-6-5-11-19-34-29-25-13-7-9-15-27(25)36-28-16-10-8-14-26(28)29/h7,9,13,15,37H,5-6,8,10-12,14,16-20H2,1-4H3,(H,34,36)(H,35,38)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.80	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins before substrate addition by Ellman's method				Eur J Med Chem 93: 42-50 (2015) Article DOI: 10.1016/j.ejmech.2015.01.058 BindingDB Entry DOI: 10.7270/Q2154JRN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up t...				Bioorg Med Chem 24: 1528-39 (2016) Article DOI: 10.1016/j.bmc.2016.02.023 BindingDB Entry DOI: 10.7270/Q2125VHK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholinesterase (Homo sapiens (Human))	BDBM50073115 (CHEMBL3410953) Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C32H41N3O3/c1-20-21(2)30-23(22(3)29(20)36)16-17-32(4,38-30)31(37)34-19-11-5-10-18-33-28-24-12-6-8-14-26(24)35-27-15-9-7-13-25(27)28/h6,8,12,14,36H,5,7,9-11,13,15-19H2,1-4H3,(H,33,35)(H,34,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins before substrate addition by Ellman's method				Eur J Med Chem 93: 42-50 (2015) Article DOI: 10.1016/j.ejmech.2015.01.058 BindingDB Entry DOI: 10.7270/Q2154JRN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50441840 (CHEMBL2436692) Show SMILES O=c1ccoc2cc(OCCCN3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)ccc12 Show InChI InChI=1S/C32H38N4O3/c37-30-13-22-39-31-23-24(11-12-27(30)31)38-21-6-16-36-19-17-35(18-20-36)15-5-14-33-32-25-7-1-3-9-28(25)34-29-10-4-2-8-26(29)32/h1,3,7,9,11-13,22-23H,2,4-6,8,10,14-21H2,(H,33,34)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition by Ellmans method				Eur J Med Chem 69: 632-46 (2013) Article DOI: 10.1016/j.ejmech.2013.09.024 BindingDB Entry DOI: 10.7270/Q2BP048V
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50099602 (CHEMBL3343931) Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using S-butyrylthiocholine chloride as substrate incubated for 6 mins by spectrophotometric method				Bioorg Med Chem 22: 6089-104 (2014) Article DOI: 10.1016/j.bmc.2014.08.035 BindingDB Entry DOI: 10.7270/Q2M61N1Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50441842 (CHEMBL2436690) Show SMILES Oc1cc(OCCCN2CCN(CCCNc3c4CCCCc4nc4ccccc34)CC2)cc2occc(=O)c12 Show InChI InChI=1S/C32H38N4O4/c37-28-11-20-40-30-22-23(21-29(38)31(28)30)39-19-6-14-36-17-15-35(16-18-36)13-5-12-33-32-24-7-1-3-9-26(24)34-27-10-4-2-8-25(27)32/h1,3,7,9,11,20-22,38H,2,4-6,8,10,12-19H2,(H,33,34)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition by Ellmans method				Eur J Med Chem 69: 632-46 (2013) Article DOI: 10.1016/j.ejmech.2013.09.024 BindingDB Entry DOI: 10.7270/Q2BP048V
					More data for this Ligand-Target Pair

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