Compile Data Set for Download or QSAR

Found 924 hits with Last Name = 'wang' and Initial = 'xb'   

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 (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	38	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 human AChE using acetylthiocholine chloride as substrate incubated for 5 mins followed by substrate addition by Lineweaver-B...				Eur J Med Chem 157: 161-176 (2018) Article DOI: 10.1016/j.ejmech.2018.08.005 BindingDB Entry DOI: 10.7270/Q29P34C1
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50469009 (CHEMBL4292766) Show SMILES CC(C)(C)c1cc(\C=C\C(=O)NCCC2CCN(Cc3ccccc3F)CC2)cc(c1O)C(C)(C)C Show InChI InChI=1S/C31H43FN2O2/c1-30(2,3)25-19-23(20-26(29(25)36)31(4,5)6)11-12-28(35)33-16-13-22-14-17-34(18-15-22)21-24-9-7-8-10-27(24)32/h7-12,19-20,22,36H,13-18,21H2,1-6H3,(H,33,35)/b12-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
China Pharmaceutical University Curated by ChEMBL					Assay Description Mixed-type inhibition of human AChE using acetylthiocholine chloride as substrate incubated for 5 mins followed by substrate addition by Lineweaver-B...				Eur J Med Chem 157: 161-176 (2018) Article DOI: 10.1016/j.ejmech.2018.08.005 BindingDB Entry DOI: 10.7270/Q29P34C1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50469008 (CHEMBL4283390) Show SMILES CC(C)(C)c1cc(\C=C\C(=O)NCCC2CCN(Cc3ccccc3)CC2)cc(c1O)C(C)(C)C Show InChI InChI=1S/C31H44N2O2/c1-30(2,3)26-20-25(21-27(29(26)35)31(4,5)6)12-13-28(34)32-17-14-23-15-18-33(19-16-23)22-24-10-8-7-9-11-24/h7-13,20-21,23,35H,14-19,22H2,1-6H3,(H,32,34)/b13-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.20E+3	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 human AChE using acetylthiocholine chloride as substrate incubated for 5 mins followed by substrate addition by Lineweaver-B...				Eur J Med Chem 157: 161-176 (2018) Article DOI: 10.1016/j.ejmech.2018.08.005 BindingDB Entry DOI: 10.7270/Q29P34C1
					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 (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
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
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50172756 (Benzyl-methyl-prop-2-ynyl-amine | CHEMBL673 | Euto...) Show SMILES CN(CC#C)Cc1ccccc1 Show InChI InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of MAO-B (unknown origin)				Eur J Med Chem 138: 715-728 (2017) Article DOI: 10.1016/j.ejmech.2017.07.008 BindingDB Entry DOI: 10.7270/Q2S46VKC
					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
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
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	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 5 mins followed by substrate addition measured up to 180...				Eur J Med Chem 139: 68-83 (2017) Article DOI: 10.1016/j.ejmech.2017.07.077 BindingDB Entry DOI: 10.7270/Q2Q52S78
					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
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50172756 (Benzyl-methyl-prop-2-ynyl-amine | CHEMBL673 | Euto...) Show SMILES CN(CC#C)Cc1ccccc1 Show InChI InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	11.5	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of MAO-A (unknown origin)				Eur J Med Chem 138: 715-728 (2017) Article DOI: 10.1016/j.ejmech.2017.07.008 BindingDB Entry DOI: 10.7270/Q2S46VKC
					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
Cholinesterase (Equus caballus (Horse))	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 UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of equine 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
Cholinesterase (Homo sapiens (Human))	BDBM50073113 (CHEMBL3410955) Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C34H45N3O3/c1-22-23(2)32-25(24(3)31(22)38)18-19-34(4,40-32)33(39)36-21-13-7-5-6-12-20-35-30-26-14-8-10-16-28(26)37-29-17-11-9-15-27(29)30/h8,10,14,16,38H,5-7,9,11-13,15,17-21H2,1-4H3,(H,35,37)(H,36,39)	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	19	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
Cholinesterase (Homo sapiens (Human))	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)	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	21	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))	BDBM50099598 (CHEMBL3343927) Show SMILES O=C(NCCCCCCNc1c2CCCCc2nc2ccccc12)[C@@H]1Cc2c(CN1)[nH]c1ccccc21 |r| Show InChI	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
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide 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))	BDBM50099599 (CHEMBL3343928) Show SMILES CC1N([C@@H](Cc2c1[nH]c1ccccc21)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12)C(=O)OC(C)(C)C |r| Show InChI	PDB 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
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))	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)	PDB 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
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of equine 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
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	23	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				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	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 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
Cholinesterase (Equus caballus (Horse))	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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using S-butyrylcholinesterase iodide as substrate preincubated for 6 mins followed by substrate addition by Ellmans ...				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
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50456663 (CHEMBL4215298) Show SMILES CN(CCCCOc1ccc2ccc(=O)oc2c1)CC#C Show InChI InChI=1S/C17H19NO3/c1-3-10-18(2)11-4-5-12-20-15-8-6-14-7-9-17(19)21-16(14)13-15/h1,6-9,13H,4-5,10-12H2,2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by...				Eur J Med Chem 138: 715-728 (2017) Article DOI: 10.1016/j.ejmech.2017.07.008 BindingDB Entry DOI: 10.7270/Q2S46VKC
					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	30	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human serum BCHE preincubated for 6 mins followed by addition of S-butyrylcholine iodide as substrate by Ellman's method				Bioorg Med Chem 24: 4324-4338 (2016) Article DOI: 10.1016/j.bmc.2016.07.025 BindingDB Entry DOI: 10.7270/Q2DV1MV0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50099591 (CHEMBL3343922) Show SMILES O=C(NCCCCCCNc1c2CCCCc2nc2ccccc12)c1cc2c(cn1)[nH]c1ccccc21 Show InChI InChI=1S/C31H33N5O/c37-31(28-19-24-21-11-3-6-14-25(21)36-29(24)20-34-28)33-18-10-2-1-9-17-32-30-22-12-4-7-15-26(22)35-27-16-8-5-13-23(27)30/h3-4,6-7,11-12,14-15,19-20,36H,1-2,5,8-10,13,16-18H2,(H,32,35)(H,33,37)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	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 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 (Homo sapiens (Human))	BDBM50204751 (CHEMBL3943450) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4F)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H28FNO3/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/h3-6,13-14,16,19H,7-12,15H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up ...				Eur J Med Chem 123: 282-297 (2016) Article DOI: 10.1016/j.ejmech.2016.07.052 BindingDB Entry DOI: 10.7270/Q2ZW1NW5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 6 mins followed by substrate addition and me...				Citation and Details Article DOI: 10.1039/c9md00441f BindingDB Entry DOI: 10.7270/Q270852S
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50553084 (CHEMBL4798359) Show SMILES COc1ccc2occ(C(=O)NCCC3CCN(Cc4ccccc4)CC3)c(=O)c2c1 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 6 mins followed by substrate addition and me...				Citation and Details Article DOI: 10.1039/c9md00441f BindingDB Entry DOI: 10.7270/Q270852S
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50073112 (CHEMBL3410956) Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C35H47N3O3/c1-23-24(2)33-26(25(3)32(23)39)19-20-35(4,41-33)34(40)37-22-14-8-6-5-7-13-21-36-31-27-15-9-11-17-29(27)38-30-18-12-10-16-28(30)31/h9,11,15,17,39H,5-8,10,12-14,16,18-22H2,1-4H3,(H,36,38)(H,37,40)	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	35	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
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	35	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of equine 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				3D Structure (crystal)
Cholinesterase (Equus caballus (Horse))	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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using S-butyrylcholinesterase iodide as substrate preincubated for 6 mins followed by substrate addition by Ellmans ...				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
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50553077 (CHEMBL4760340) Show SMILES O=C(NC1CCN(Cc2ccccc2)CC1)c1coc2ccc(OCc3ccccc3)cc2c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated with enzyme for 15 mins followed incubation with substrate for 20 mi...				Citation and Details Article DOI: 10.1039/c9md00441f BindingDB Entry DOI: 10.7270/Q270852S
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	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 UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of equine 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))	BDBM10949 (3-(4-{[Benzyl(methyl)amino]methyl}-phenyl)-6,7-dim...) Show SMILES COc1cc2cc(-c3ccc(CN(C)Cc4ccccc4)cc3)c(=O)oc2cc1OC Show InChI InChI=1S/C26H25NO4/c1-27(16-18-7-5-4-6-8-18)17-19-9-11-20(12-10-19)22-13-21-14-24(29-2)25(30-3)15-23(21)31-26(22)28/h4-15H,16-17H2,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	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 5 mins followed by substrate addition measured up to 180...				Eur J Med Chem 139: 68-83 (2017) Article DOI: 10.1016/j.ejmech.2017.07.077 BindingDB Entry DOI: 10.7270/Q2Q52S78
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50099598 (CHEMBL3343927) Show SMILES O=C(NCCCCCCNc1c2CCCCc2nc2ccccc12)[C@@H]1Cc2c(CN1)[nH]c1ccccc21 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	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))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	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 preincubated for 6 mins followed by addition of acetylcholine iodide as substrate by Ellman's method				Bioorg Med Chem 24: 4324-4338 (2016) Article DOI: 10.1016/j.bmc.2016.07.025 BindingDB Entry DOI: 10.7270/Q2DV1MV0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50441844 (CHEMBL2436709) Show SMILES Clc1ccc(cc1)-c1cc(=O)c2ccc(OCCCN3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)cc2o1 Show InChI InChI=1S/C38H41ClN4O3/c39-28-13-11-27(12-14-28)36-26-35(44)32-16-15-29(25-37(32)46-36)45-24-6-19-43-22-20-42(21-23-43)18-5-17-40-38-30-7-1-3-9-33(30)41-34-10-4-2-8-31(34)38/h1,3,7,9,11-16,25-26H,2,4-6,8,10,17-24H2,(H,40,41)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	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))	BDBM50099570 (CHEMBL3343885) Show SMILES Cc1nc(cc2c3ccccc3[nH]c12)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C32H35N5O/c1-21-30-25(22-12-4-7-15-26(22)37-30)20-29(35-21)32(38)34-19-11-3-2-10-18-33-31-23-13-5-8-16-27(23)36-28-17-9-6-14-24(28)31/h4-5,7-8,12-13,15-16,20,37H,2-3,6,9-11,14,17-19H2,1H3,(H,33,36)(H,34,38)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	41	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 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))	BDBM50073117 (CHEMBL3410951) Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C29H35N3O3/c1-17-18(2)27-20(19(3)26(17)33)13-14-29(4,35-27)28(34)31-16-15-30-25-21-9-5-7-11-23(21)32-24-12-8-6-10-22(24)25/h5,7,9,11,33H,6,8,10,12-16H2,1-4H3,(H,30,32)(H,31,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of equine 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
Cholinesterase (Equus caballus (Horse))	BDBM50099591 (CHEMBL3343922) Show SMILES O=C(NCCCCCCNc1c2CCCCc2nc2ccccc12)c1cc2c(cn1)[nH]c1ccccc21 Show InChI InChI=1S/C31H33N5O/c37-31(28-19-24-21-11-3-6-14-25(21)36-29(24)20-34-28)33-18-10-2-1-9-17-32-30-22-12-4-7-15-26(22)35-27-16-8-5-13-23(27)30/h3-4,6-7,11-12,14-15,19-20,36H,1-2,5,8-10,13,16-18H2,(H,32,35)(H,33,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	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 (Homo sapiens (Human))	BDBM50204754 (CHEMBL3985059) Show SMILES COc1cc2CC(CC3CCN(Cc4ccc(F)cc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H28FNO3/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/h3-6,13-14,16,19H,7-12,15H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up ...				Eur J Med Chem 123: 282-297 (2016) Article DOI: 10.1016/j.ejmech.2016.07.052 BindingDB Entry DOI: 10.7270/Q2ZW1NW5
					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	41	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 5 mins followed by substrate addition measured up to ...				Eur J Med Chem 123: 282-297 (2016) Article DOI: 10.1016/j.ejmech.2016.07.052 BindingDB Entry DOI: 10.7270/Q2ZW1NW5
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	42	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 iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to ...				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				3D Structure (crystal)
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50204751 (CHEMBL3943450) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4F)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H28FNO3/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/h3-6,13-14,16,19H,7-12,15H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	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 5 mins followed by substrate addition measured up to 3 m...				Eur J Med Chem 123: 282-297 (2016) Article DOI: 10.1016/j.ejmech.2016.07.052 BindingDB Entry DOI: 10.7270/Q2ZW1NW5
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using S-butyrylcholinesterase iodide as substrate preincubated for 6 mins followed by substrate addition by Ellmans ...				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))	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	46	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to...				Eur J Med Chem 123: 282-297 (2016) Article DOI: 10.1016/j.ejmech.2016.07.052 BindingDB Entry DOI: 10.7270/Q2ZW1NW5
					More data for this Ligand-Target Pair				3D Structure (crystal)

Displayed 1 to 50 (of 924 total )  |  Next  |  Last  >>

Jump to: