Compile Data Set for Download or QSAR

Found 61 hits with Last Name = 'liu' and Initial = 'wk'   

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 (Rattus norvegicus (rat))	BDBM50026058 (CHEMBL3335259) Show SMILES COc1cc(OC)c(C(=O)\C=C\c2ccccc2)c(O)c1CN1CCCCC1 Show InChI InChI=1S/C23H27NO4/c1-27-20-15-21(28-2)22(19(25)12-11-17-9-5-3-6-10-17)23(26)18(20)16-24-13-7-4-8-14-24/h3,5-6,9-12,15,26H,4,7-8,13-14,16H2,1-2H3/b12-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.75E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hunan University Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat brain AChE by Michaelis-Menten equation				Bioorg Med Chem Lett 24: 4749-53 (2014) Article DOI: 10.1016/j.bmcl.2014.07.087 BindingDB Entry DOI: 10.7270/Q2PR7XKV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50393715 (CHEMBL2158994) Show SMILES CN(C)CCOc1ccc(cc1)C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C19H21NO2/c1-20(2)14-15-22-18-11-9-17(10-12-18)19(21)13-8-16-6-4-3-5-7-16/h3-13H,14-15H2,1-2H3/b13-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.52E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hu'nan University Curated by ChEMBL					Assay Description Non-competitive inhibition of AChE (unknown origin) incubated for 25 mins by Lineweaver-Burk plot analysis				Bioorg Med Chem 22: 6124-33 (2014) Article DOI: 10.1016/j.bmc.2014.08.033 BindingDB Entry DOI: 10.7270/Q2474CNV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50026058 (CHEMBL3335259) Show SMILES COc1cc(OC)c(C(=O)\C=C\c2ccccc2)c(O)c1CN1CCCCC1 Show InChI InChI=1S/C23H27NO4/c1-27-20-15-21(28-2)22(19(25)12-11-17-9-5-3-6-10-17)23(26)18(20)16-24-13-7-4-8-14-24/h3,5-6,9-12,15,26H,4,7-8,13-14,16H2,1-2H3/b12-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.58E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hunan University Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat brain AChE using acetylthiocholin iodide as substrate by Michaelis-Menten equation				Bioorg Med Chem Lett 24: 4749-53 (2014) Article DOI: 10.1016/j.bmcl.2014.07.087 BindingDB Entry DOI: 10.7270/Q2PR7XKV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50393715 (CHEMBL2158994) Show SMILES CN(C)CCOc1ccc(cc1)C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C19H21NO2/c1-20(2)14-15-22-18-11-9-17(10-12-18)19(21)13-8-16-6-4-3-5-7-16/h3-13H,14-15H2,1-2H3/b13-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.99E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hu'nan University Curated by ChEMBL					Assay Description Competitive inhibition of AChE (unknown origin) incubated for 25 mins by Lineweaver-Burk plot analysis				Bioorg Med Chem 22: 6124-33 (2014) Article DOI: 10.1016/j.bmc.2014.08.033 BindingDB Entry DOI: 10.7270/Q2474CNV
					More data for this Ligand-Target Pair
Tyrosinase (Mus musculus (Mouse))	BDBM50020713 (CHEMBL460860) Show SMILES OC[C@H]1O[C@@H](Oc2c(O)cc(O)cc2\C=C\c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C20H22O9/c21-9-15-16(25)17(26)18(27)20(28-15)29-19-11(7-13(23)8-14(19)24)4-1-10-2-5-12(22)6-3-10/h1-8,15-18,20-27H,9H2/b4-1+/t15-,16-,17+,18-,20+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	2.50E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Chinese University of Hong Kong Curated by ChEMBL					Assay Description Inhibition of tyrosinase in mouse Melan-a cells assessed as decrease in L-DOPA Vmax at 240 uM by Lineweaver-Burk plot				J Nat Prod 77: 1270-4 (2014) Article DOI: 10.1021/np4008798 BindingDB Entry DOI: 10.7270/Q2MK6FFJ
					More data for this Ligand-Target Pair
Tyrosinase (Mus musculus (Mouse))	BDBM50020713 (CHEMBL460860) Show SMILES OC[C@H]1O[C@@H](Oc2c(O)cc(O)cc2\C=C\c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C20H22O9/c21-9-15-16(25)17(26)18(27)20(28-15)29-19-11(7-13(23)8-14(19)24)4-1-10-2-5-12(22)6-3-10/h1-8,15-18,20-27H,9H2/b4-1+/t15-,16-,17+,18-,20+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	2.80E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Chinese University of Hong Kong Curated by ChEMBL					Assay Description Inhibition of tyrosinase in mouse Melan-a cells assessed as decrease in L-DOPA Vmax at 120 uM by Lineweaver-Burk plot				J Nat Prod 77: 1270-4 (2014) Article DOI: 10.1021/np4008798 BindingDB Entry DOI: 10.7270/Q2MK6FFJ
					More data for this Ligand-Target Pair
Tyrosinase (Mus musculus (Mouse))	BDBM23926 ((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...) Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1 Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.90E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Chinese University of Hong Kong Curated by ChEMBL					Assay Description Inhibition of tyrosinase in mouse Melan-a cells assessed as decrease in L-DOPA Vmax at 120 uM by Lineweaver-Burk plot				J Nat Prod 77: 1270-4 (2014) Article DOI: 10.1021/np4008798 BindingDB Entry DOI: 10.7270/Q2MK6FFJ
					More data for this Ligand-Target Pair
Tyrosinase (Mus musculus (Mouse))	BDBM50020713 (CHEMBL460860) Show SMILES OC[C@H]1O[C@@H](Oc2c(O)cc(O)cc2\C=C\c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C20H22O9/c21-9-15-16(25)17(26)18(27)20(28-15)29-19-11(7-13(23)8-14(19)24)4-1-10-2-5-12(22)6-3-10/h1-8,15-18,20-27H,9H2/b4-1+/t15-,16-,17+,18-,20+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	3.10E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Chinese University of Hong Kong Curated by ChEMBL					Assay Description Inhibition of tyrosinase in mouse Melan-a cells assessed as decrease in L-DOPA Vmax at 60 uM by Lineweaver-Burk plot				J Nat Prod 77: 1270-4 (2014) Article DOI: 10.1021/np4008798 BindingDB Entry DOI: 10.7270/Q2MK6FFJ
					More data for this Ligand-Target Pair
Tyrosinase (Mus musculus (Mouse))	BDBM50031467 (5-HYDROXY-2-(HYDROXYMETHYL)-4H-PYRAN-4-ONE | 5-Hyd...) Show SMILES OCc1cc(=O)c(O)co1 Show InChI InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.50E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Chinese University of Hong Kong Curated by ChEMBL					Assay Description Inhibition of tyrosinase in mouse Melan-a cells assessed as decrease in L-DOPA Vmax at 120 uM by Lineweaver-Burk plot				J Nat Prod 77: 1270-4 (2014) Article DOI: 10.1021/np4008798 BindingDB Entry DOI: 10.7270/Q2MK6FFJ
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM10620 ((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...) Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1 Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Hu'nan University Curated by ChEMBL					Assay Description Inhibition of BuChE (unknown origin) using butyrylthiocholine iodide as substrate incubated for 25 mins by Ellman's method				Bioorg Med Chem 22: 6124-33 (2014) Article DOI: 10.1016/j.bmc.2014.08.033 BindingDB Entry DOI: 10.7270/Q2474CNV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50026058 (CHEMBL3335259) Show SMILES COc1cc(OC)c(C(=O)\C=C\c2ccccc2)c(O)c1CN1CCCCC1 Show InChI InChI=1S/C23H27NO4/c1-27-20-15-21(28-2)22(19(25)12-11-17-9-5-3-6-10-17)23(26)18(20)16-24-13-7-4-8-14-24/h3,5-6,9-12,15,26H,4,7-8,13-14,16H2,1-2H3/b12-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hunan University Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat brain AChE using acetylthiocholin iodide as substrate preincubated for 25 mins by Ellman's/UV-vis spectroscopy analy...				Bioorg Med Chem Lett 24: 4749-53 (2014) Article DOI: 10.1016/j.bmcl.2014.07.087 BindingDB Entry DOI: 10.7270/Q2PR7XKV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50393715 (CHEMBL2158994) Show SMILES CN(C)CCOc1ccc(cc1)C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C19H21NO2/c1-20(2)14-15-22-18-11-9-17(10-12-18)19(21)13-8-16-6-4-3-5-7-16/h3-13H,14-15H2,1-2H3/b13-8+	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	4.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hu'nan University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate incubated for 25 mins by Ellman's method				Bioorg Med Chem 22: 6124-33 (2014) Article DOI: 10.1016/j.bmc.2014.08.033 BindingDB Entry DOI: 10.7270/Q2474CNV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50099426 (CHEMBL3339001) Show SMILES CCCN(CCC)CCCCOc1ccc(cc1)C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C25H33NO2/c1-3-18-26(19-4-2)20-8-9-21-28-24-15-13-23(14-16-24)25(27)17-12-22-10-6-5-7-11-22/h5-7,10-17H,3-4,8-9,18-21H2,1-2H3/b17-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.91E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hu'nan University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate incubated for 25 mins by Ellman's method				Bioorg Med Chem 22: 6124-33 (2014) Article DOI: 10.1016/j.bmc.2014.08.033 BindingDB Entry DOI: 10.7270/Q2474CNV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50099419 (CHEMBL3337471) Show SMILES CCN(CC)CCOc1ccc(cc1)C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C21H25NO2/c1-3-22(4-2)16-17-24-20-13-11-19(12-14-20)21(23)15-10-18-8-6-5-7-9-18/h5-15H,3-4,16-17H2,1-2H3/b15-10+	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	7.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hu'nan University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate incubated for 25 mins by Ellman's method				Bioorg Med Chem 22: 6124-33 (2014) Article DOI: 10.1016/j.bmc.2014.08.033 BindingDB Entry DOI: 10.7270/Q2474CNV
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50099426 (CHEMBL3339001) Show SMILES CCCN(CCC)CCCCOc1ccc(cc1)C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C25H33NO2/c1-3-18-26(19-4-2)20-8-9-21-28-24-15-13-23(14-16-24)25(27)17-12-22-10-6-5-7-11-22/h5-7,10-17H,3-4,8-9,18-21H2,1-2H3/b17-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.84E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hu'nan University Curated by ChEMBL					Assay Description Inhibition of BuChE (unknown origin) using butyrylthiocholine iodide as substrate incubated for 25 mins by Ellman's method				Bioorg Med Chem 22: 6124-33 (2014) Article DOI: 10.1016/j.bmc.2014.08.033 BindingDB Entry DOI: 10.7270/Q2474CNV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50099416 (CHEMBL3338992) Show SMILES CN(C)CCCCOc1ccc(cc1)C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C21H25NO2/c1-22(2)16-6-7-17-24-20-13-11-19(12-14-20)21(23)15-10-18-8-4-3-5-9-18/h3-5,8-15H,6-7,16-17H2,1-2H3/b15-10+	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	8.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hu'nan University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate incubated for 25 mins by Ellman's method				Bioorg Med Chem 22: 6124-33 (2014) Article DOI: 10.1016/j.bmc.2014.08.033 BindingDB Entry DOI: 10.7270/Q2474CNV
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50099425 (CHEMBL3339000) Show SMILES CCCN(CCC)CCCOc1ccc(cc1)C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C24H31NO2/c1-3-17-25(18-4-2)19-8-20-27-23-14-12-22(13-15-23)24(26)16-11-21-9-6-5-7-10-21/h5-7,9-16H,3-4,8,17-20H2,1-2H3/b16-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hu'nan University Curated by ChEMBL					Assay Description Inhibition of BuChE (unknown origin) using butyrylthiocholine iodide as substrate incubated for 25 mins by Ellman's method				Bioorg Med Chem 22: 6124-33 (2014) Article DOI: 10.1016/j.bmc.2014.08.033 BindingDB Entry DOI: 10.7270/Q2474CNV
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50099421 (CHEMBL3338996) Show SMILES CCN(CC)CCCCOc1ccc(cc1)C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C23H29NO2/c1-3-24(4-2)18-8-9-19-26-22-15-13-21(14-16-22)23(25)17-12-20-10-6-5-7-11-20/h5-7,10-17H,3-4,8-9,18-19H2,1-2H3/b17-12+	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	1.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hu'nan University Curated by ChEMBL					Assay Description Inhibition of BuChE (unknown origin) using butyrylthiocholine iodide as substrate incubated for 25 mins by Ellman's method				Bioorg Med Chem 22: 6124-33 (2014) Article DOI: 10.1016/j.bmc.2014.08.033 BindingDB Entry DOI: 10.7270/Q2474CNV
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50099418 (CHEMBL3338994) Show SMILES CN(C)CCCCCCOc1ccc(cc1)C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C23H29NO2/c1-24(2)18-8-3-4-9-19-26-22-15-13-21(14-16-22)23(25)17-12-20-10-6-5-7-11-20/h5-7,10-17H,3-4,8-9,18-19H2,1-2H3/b17-12+	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	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hu'nan University Curated by ChEMBL					Assay Description Inhibition of BuChE (unknown origin) using butyrylthiocholine iodide as substrate incubated for 25 mins by Ellman's method				Bioorg Med Chem 22: 6124-33 (2014) Article DOI: 10.1016/j.bmc.2014.08.033 BindingDB Entry DOI: 10.7270/Q2474CNV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50099414 (CHEMBL3338991) Show SMILES CN(C)CCCOc1ccc(cc1)C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C20H23NO2/c1-21(2)15-6-16-23-19-12-10-18(11-13-19)20(22)14-9-17-7-4-3-5-8-17/h3-5,7-14H,6,15-16H2,1-2H3/b14-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hu'nan University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate incubated for 25 mins by Ellman's method				Bioorg Med Chem 22: 6124-33 (2014) Article DOI: 10.1016/j.bmc.2014.08.033 BindingDB Entry DOI: 10.7270/Q2474CNV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM10620 ((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...) Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1 Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hunan University Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat brain AChE using acetylthiocholin iodide as substrate preincubated for 25 mins by Ellman's/UV-vis spectroscopy analy...				Bioorg Med Chem Lett 24: 4749-53 (2014) Article DOI: 10.1016/j.bmcl.2014.07.087 BindingDB Entry DOI: 10.7270/Q2PR7XKV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10620 ((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...) Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1 Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hu'nan University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate incubated for 25 mins by Ellman's method				Bioorg Med Chem 22: 6124-33 (2014) Article DOI: 10.1016/j.bmc.2014.08.033 BindingDB Entry DOI: 10.7270/Q2474CNV
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50099416 (CHEMBL3338992) Show SMILES CN(C)CCCCOc1ccc(cc1)C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C21H25NO2/c1-22(2)16-6-7-17-24-20-13-11-19(12-14-20)21(23)15-10-18-8-4-3-5-9-18/h3-5,8-15H,6-7,16-17H2,1-2H3/b15-10+	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	1.18E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hu'nan University Curated by ChEMBL					Assay Description Inhibition of BuChE (unknown origin) using butyrylthiocholine iodide as substrate incubated for 25 mins by Ellman's method				Bioorg Med Chem 22: 6124-33 (2014) Article DOI: 10.1016/j.bmc.2014.08.033 BindingDB Entry DOI: 10.7270/Q2474CNV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50026061 (CHEMBL3335261) Show SMILES COc1cc(OC)c(C(=O)\C=C\c2ccccc2)c(O)c1CN1CCN(C)CC1 Show InChI InChI=1S/C23H28N2O4/c1-24-11-13-25(14-12-24)16-18-20(28-2)15-21(29-3)22(23(18)27)19(26)10-9-17-7-5-4-6-8-17/h4-10,15,27H,11-14,16H2,1-3H3/b10-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hunan University Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat brain AChE using acetylthiocholin iodide as substrate preincubated for 25 mins by Ellman's/UV-vis spectroscopy analy...				Bioorg Med Chem Lett 24: 4749-53 (2014) Article DOI: 10.1016/j.bmcl.2014.07.087 BindingDB Entry DOI: 10.7270/Q2PR7XKV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50099417 (CHEMBL3338993) Show SMILES CN(C)CCCCCOc1ccc(cc1)C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C22H27NO2/c1-23(2)17-7-4-8-18-25-21-14-12-20(13-15-21)22(24)16-11-19-9-5-3-6-10-19/h3,5-6,9-16H,4,7-8,17-18H2,1-2H3/b16-11+	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	1.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hu'nan University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate incubated for 25 mins by Ellman's method				Bioorg Med Chem 22: 6124-33 (2014) Article DOI: 10.1016/j.bmc.2014.08.033 BindingDB Entry DOI: 10.7270/Q2474CNV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50099418 (CHEMBL3338994) Show SMILES CN(C)CCCCCCOc1ccc(cc1)C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C23H29NO2/c1-24(2)18-8-3-4-9-19-26-22-15-13-21(14-16-22)23(25)17-12-20-10-6-5-7-11-20/h5-7,10-17H,3-4,8-9,18-19H2,1-2H3/b17-12+	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	1.42E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hu'nan University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate incubated for 25 mins by Ellman's method				Bioorg Med Chem 22: 6124-33 (2014) Article DOI: 10.1016/j.bmc.2014.08.033 BindingDB Entry DOI: 10.7270/Q2474CNV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50026062 (CHEMBL3335256) Show SMILES CCN(CC)Cc1c(OC)cc(OC)c(C(=O)\C=C\c2ccccc2)c1O Show InChI InChI=1S/C22H27NO4/c1-5-23(6-2)15-17-19(26-3)14-20(27-4)21(22(17)25)18(24)13-12-16-10-8-7-9-11-16/h7-14,25H,5-6,15H2,1-4H3/b13-12+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hunan University Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat brain AChE using acetylthiocholin iodide as substrate preincubated for 25 mins by Ellman's/UV-vis spectroscopy analy...				Bioorg Med Chem Lett 24: 4749-53 (2014) Article DOI: 10.1016/j.bmcl.2014.07.087 BindingDB Entry DOI: 10.7270/Q2PR7XKV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50026064 (CHEMBL3335258) Show SMILES COc1cc(OC)c(C(=O)\C=C\c2ccccc2)c(O)c1CN1CCCC1 Show InChI InChI=1S/C22H25NO4/c1-26-19-14-20(27-2)21(18(24)11-10-16-8-4-3-5-9-16)22(25)17(19)15-23-12-6-7-13-23/h3-5,8-11,14,25H,6-7,12-13,15H2,1-2H3/b11-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.61E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hunan University Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat brain AChE using acetylthiocholin iodide as substrate preincubated for 25 mins by Ellman's/UV-vis spectroscopy analy...				Bioorg Med Chem Lett 24: 4749-53 (2014) Article DOI: 10.1016/j.bmcl.2014.07.087 BindingDB Entry DOI: 10.7270/Q2PR7XKV
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50099417 (CHEMBL3338993) Show SMILES CN(C)CCCCCOc1ccc(cc1)C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C22H27NO2/c1-23(2)17-7-4-8-18-25-21-14-12-20(13-15-21)22(24)16-11-19-9-5-3-6-10-19/h3,5-6,9-16H,4,7-8,17-18H2,1-2H3/b16-11+	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	1.74E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hu'nan University Curated by ChEMBL					Assay Description Inhibition of BuChE (unknown origin) using butyrylthiocholine iodide as substrate incubated for 25 mins by Ellman's method				Bioorg Med Chem 22: 6124-33 (2014) Article DOI: 10.1016/j.bmc.2014.08.033 BindingDB Entry DOI: 10.7270/Q2474CNV
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50099423 (CHEMBL3338998) Show SMILES CCN(CC)CCCCCCOc1ccc(cc1)C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C25H33NO2/c1-3-26(4-2)20-10-5-6-11-21-28-24-17-15-23(16-18-24)25(27)19-14-22-12-8-7-9-13-22/h7-9,12-19H,3-6,10-11,20-21H2,1-2H3/b19-14+	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	1.85E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hu'nan University Curated by ChEMBL					Assay Description Inhibition of BuChE (unknown origin) using butyrylthiocholine iodide as substrate incubated for 25 mins by Ellman's method				Bioorg Med Chem 22: 6124-33 (2014) Article DOI: 10.1016/j.bmc.2014.08.033 BindingDB Entry DOI: 10.7270/Q2474CNV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50026065 (CHEMBL3335255) Show SMILES COc1cc(OC)c(C(=O)\C=C\c2ccccc2)c(O)c1CN(C)C Show InChI InChI=1S/C20H23NO4/c1-21(2)13-15-17(24-3)12-18(25-4)19(20(15)23)16(22)11-10-14-8-6-5-7-9-14/h5-12,23H,13H2,1-4H3/b11-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.88E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hunan University Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat brain AChE using acetylthiocholin iodide as substrate preincubated for 25 mins by Ellman's/UV-vis spectroscopy analy...				Bioorg Med Chem Lett 24: 4749-53 (2014) Article DOI: 10.1016/j.bmcl.2014.07.087 BindingDB Entry DOI: 10.7270/Q2PR7XKV
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50099420 (CHEMBL3338995) Show SMILES CCN(CC)CCCOc1ccc(cc1)C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C22H27NO2/c1-3-23(4-2)17-8-18-25-21-14-12-20(13-15-21)22(24)16-11-19-9-6-5-7-10-19/h5-7,9-16H,3-4,8,17-18H2,1-2H3/b16-11+	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	2.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hu'nan University Curated by ChEMBL					Assay Description Inhibition of BuChE (unknown origin) using butyrylthiocholine iodide as substrate incubated for 25 mins by Ellman's method				Bioorg Med Chem 22: 6124-33 (2014) Article DOI: 10.1016/j.bmc.2014.08.033 BindingDB Entry DOI: 10.7270/Q2474CNV
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50393715 (CHEMBL2158994) Show SMILES CN(C)CCOc1ccc(cc1)C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C19H21NO2/c1-20(2)14-15-22-18-11-9-17(10-12-18)19(21)13-8-16-6-4-3-5-7-16/h3-13H,14-15H2,1-2H3/b13-8+	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	2.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hu'nan University Curated by ChEMBL					Assay Description Inhibition of BuChE (unknown origin) using butyrylthiocholine iodide as substrate incubated for 25 mins by Ellman's method				Bioorg Med Chem 22: 6124-33 (2014) Article DOI: 10.1016/j.bmc.2014.08.033 BindingDB Entry DOI: 10.7270/Q2474CNV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50099431 (CHEMBL3339006) Show SMILES CCCCN(CCCC)CCCCOc1ccc(cc1)C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C27H37NO2/c1-3-5-20-28(21-6-4-2)22-10-11-23-30-26-17-15-25(16-18-26)27(29)19-14-24-12-8-7-9-13-24/h7-9,12-19H,3-6,10-11,20-23H2,1-2H3/b19-14+	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	2.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hu'nan University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate incubated for 25 mins by Ellman's method				Bioorg Med Chem 22: 6124-33 (2014) Article DOI: 10.1016/j.bmc.2014.08.033 BindingDB Entry DOI: 10.7270/Q2474CNV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50099420 (CHEMBL3338995) Show SMILES CCN(CC)CCCOc1ccc(cc1)C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C22H27NO2/c1-3-23(4-2)17-8-18-25-21-14-12-20(13-15-21)22(24)16-11-19-9-6-5-7-10-19/h5-7,9-16H,3-4,8,17-18H2,1-2H3/b16-11+	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	2.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hu'nan University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate incubated for 25 mins by Ellman's method				Bioorg Med Chem 22: 6124-33 (2014) Article DOI: 10.1016/j.bmc.2014.08.033 BindingDB Entry DOI: 10.7270/Q2474CNV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50099421 (CHEMBL3338996) Show SMILES CCN(CC)CCCCOc1ccc(cc1)C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C23H29NO2/c1-3-24(4-2)18-8-9-19-26-22-15-13-21(14-16-22)23(25)17-12-20-10-6-5-7-11-20/h5-7,10-17H,3-4,8-9,18-19H2,1-2H3/b17-12+	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	2.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hu'nan University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate incubated for 25 mins by Ellman's method				Bioorg Med Chem 22: 6124-33 (2014) Article DOI: 10.1016/j.bmc.2014.08.033 BindingDB Entry DOI: 10.7270/Q2474CNV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50099425 (CHEMBL3339000) Show SMILES CCCN(CCC)CCCOc1ccc(cc1)C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C24H31NO2/c1-3-17-25(18-4-2)19-8-20-27-23-14-12-22(13-15-23)24(26)16-11-21-9-6-5-7-10-21/h5-7,9-16H,3-4,8,17-20H2,1-2H3/b16-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.46E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hu'nan University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate incubated for 25 mins by Ellman's method				Bioorg Med Chem 22: 6124-33 (2014) Article DOI: 10.1016/j.bmc.2014.08.033 BindingDB Entry DOI: 10.7270/Q2474CNV
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50099422 (CHEMBL3338997) Show SMILES CCN(CC)CCCCCOc1ccc(cc1)C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C24H31NO2/c1-3-25(4-2)19-9-6-10-20-27-23-16-14-22(15-17-23)24(26)18-13-21-11-7-5-8-12-21/h5,7-8,11-18H,3-4,6,9-10,19-20H2,1-2H3/b18-13+	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	2.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hu'nan University Curated by ChEMBL					Assay Description Inhibition of BuChE (unknown origin) using butyrylthiocholine iodide as substrate incubated for 25 mins by Ellman's method				Bioorg Med Chem 22: 6124-33 (2014) Article DOI: 10.1016/j.bmc.2014.08.033 BindingDB Entry DOI: 10.7270/Q2474CNV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50099427 (CHEMBL3339002) Show SMILES CCCN(CCC)CCCCCOc1ccc(cc1)C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C26H35NO2/c1-3-19-27(20-4-2)21-9-6-10-22-29-25-16-14-24(15-17-25)26(28)18-13-23-11-7-5-8-12-23/h5,7-8,11-18H,3-4,6,9-10,19-22H2,1-2H3/b18-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hu'nan University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate incubated for 25 mins by Ellman's method				Bioorg Med Chem 22: 6124-33 (2014) Article DOI: 10.1016/j.bmc.2014.08.033 BindingDB Entry DOI: 10.7270/Q2474CNV
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50099419 (CHEMBL3337471) Show SMILES CCN(CC)CCOc1ccc(cc1)C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C21H25NO2/c1-3-22(4-2)16-17-24-20-13-11-19(12-14-20)21(23)15-10-18-8-6-5-7-9-18/h5-15H,3-4,16-17H2,1-2H3/b15-10+	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	3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hu'nan University Curated by ChEMBL					Assay Description Inhibition of BuChE (unknown origin) using butyrylthiocholine iodide as substrate incubated for 25 mins by Ellman's method				Bioorg Med Chem 22: 6124-33 (2014) Article DOI: 10.1016/j.bmc.2014.08.033 BindingDB Entry DOI: 10.7270/Q2474CNV
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50099414 (CHEMBL3338991) Show SMILES CN(C)CCCOc1ccc(cc1)C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C20H23NO2/c1-21(2)15-6-16-23-19-12-10-18(11-13-19)20(22)14-9-17-7-4-3-5-8-17/h3-5,7-14H,6,15-16H2,1-2H3/b14-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hu'nan University Curated by ChEMBL					Assay Description Inhibition of BuChE (unknown origin) using butyrylthiocholine iodide as substrate incubated for 25 mins by Ellman's method				Bioorg Med Chem 22: 6124-33 (2014) Article DOI: 10.1016/j.bmc.2014.08.033 BindingDB Entry DOI: 10.7270/Q2474CNV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50099422 (CHEMBL3338997) Show SMILES CCN(CC)CCCCCOc1ccc(cc1)C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C24H31NO2/c1-3-25(4-2)19-9-6-10-20-27-23-16-14-22(15-17-23)24(26)18-13-21-11-7-5-8-12-21/h5,7-8,11-18H,3-4,6,9-10,19-20H2,1-2H3/b18-13+	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	3.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hu'nan University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate incubated for 25 mins by Ellman's method				Bioorg Med Chem 22: 6124-33 (2014) Article DOI: 10.1016/j.bmc.2014.08.033 BindingDB Entry DOI: 10.7270/Q2474CNV
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50099427 (CHEMBL3339002) Show SMILES CCCN(CCC)CCCCCOc1ccc(cc1)C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C26H35NO2/c1-3-19-27(20-4-2)21-9-6-10-22-29-25-16-14-24(15-17-25)26(28)18-13-23-11-7-5-8-12-23/h5,7-8,11-18H,3-4,6,9-10,19-22H2,1-2H3/b18-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.97E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hu'nan University Curated by ChEMBL					Assay Description Inhibition of BuChE (unknown origin) using butyrylthiocholine iodide as substrate incubated for 25 mins by Ellman's method				Bioorg Med Chem 22: 6124-33 (2014) Article DOI: 10.1016/j.bmc.2014.08.033 BindingDB Entry DOI: 10.7270/Q2474CNV
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50099428 (CHEMBL3339003) Show SMILES CCCN(CCC)CCCCCCOc1ccc(cc1)C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C27H37NO2/c1-3-20-28(21-4-2)22-10-5-6-11-23-30-26-17-15-25(16-18-26)27(29)19-14-24-12-8-7-9-13-24/h7-9,12-19H,3-6,10-11,20-23H2,1-2H3/b19-14+	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	4.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hu'nan University Curated by ChEMBL					Assay Description Inhibition of BuChE (unknown origin) using butyrylthiocholine iodide as substrate incubated for 25 mins by Ellman's method				Bioorg Med Chem 22: 6124-33 (2014) Article DOI: 10.1016/j.bmc.2014.08.033 BindingDB Entry DOI: 10.7270/Q2474CNV
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50099431 (CHEMBL3339006) Show SMILES CCCCN(CCCC)CCCCOc1ccc(cc1)C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C27H37NO2/c1-3-5-20-28(21-6-4-2)22-10-11-23-30-26-17-15-25(16-18-26)27(29)19-14-24-12-8-7-9-13-24/h7-9,12-19H,3-6,10-11,20-23H2,1-2H3/b19-14+	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	4.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hu'nan University Curated by ChEMBL					Assay Description Inhibition of BuChE (unknown origin) using butyrylthiocholine iodide as substrate incubated for 25 mins by Ellman's method				Bioorg Med Chem 22: 6124-33 (2014) Article DOI: 10.1016/j.bmc.2014.08.033 BindingDB Entry DOI: 10.7270/Q2474CNV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50099428 (CHEMBL3339003) Show SMILES CCCN(CCC)CCCCCCOc1ccc(cc1)C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C27H37NO2/c1-3-20-28(21-4-2)22-10-5-6-11-23-30-26-17-15-25(16-18-26)27(29)19-14-24-12-8-7-9-13-24/h7-9,12-19H,3-6,10-11,20-23H2,1-2H3/b19-14+	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	4.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hu'nan University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate incubated for 25 mins by Ellman's method				Bioorg Med Chem 22: 6124-33 (2014) Article DOI: 10.1016/j.bmc.2014.08.033 BindingDB Entry DOI: 10.7270/Q2474CNV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50099423 (CHEMBL3338998) Show SMILES CCN(CC)CCCCCCOc1ccc(cc1)C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C25H33NO2/c1-3-26(4-2)20-10-5-6-11-21-28-24-17-15-23(16-18-24)25(27)19-14-22-12-8-7-9-13-22/h7-9,12-19H,3-6,10-11,20-21H2,1-2H3/b19-14+	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	5.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hu'nan University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate incubated for 25 mins by Ellman's method				Bioorg Med Chem 22: 6124-33 (2014) Article DOI: 10.1016/j.bmc.2014.08.033 BindingDB Entry DOI: 10.7270/Q2474CNV
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50099424 (CHEMBL3338999) Show SMILES CCCN(CCC)CCOc1ccc(cc1)C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C23H29NO2/c1-3-16-24(17-4-2)18-19-26-22-13-11-21(12-14-22)23(25)15-10-20-8-6-5-7-9-20/h5-15H,3-4,16-19H2,1-2H3/b15-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hu'nan University Curated by ChEMBL					Assay Description Inhibition of BuChE (unknown origin) using butyrylthiocholine iodide as substrate incubated for 25 mins by Ellman's method				Bioorg Med Chem 22: 6124-33 (2014) Article DOI: 10.1016/j.bmc.2014.08.033 BindingDB Entry DOI: 10.7270/Q2474CNV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50026063 (CHEMBL3335257) Show SMILES CCCN(CCC)Cc1c(OC)cc(OC)c(C(=O)\C=C\c2ccccc2)c1O Show InChI InChI=1S/C24H31NO4/c1-5-14-25(15-6-2)17-19-21(28-3)16-22(29-4)23(24(19)27)20(26)13-12-18-10-8-7-9-11-18/h7-13,16,27H,5-6,14-15,17H2,1-4H3/b13-12+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.48E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hunan University Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat brain AChE using acetylthiocholin iodide as substrate preincubated for 25 mins by Ellman's/UV-vis spectroscopy analy...				Bioorg Med Chem Lett 24: 4749-53 (2014) Article DOI: 10.1016/j.bmcl.2014.07.087 BindingDB Entry DOI: 10.7270/Q2PR7XKV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50099424 (CHEMBL3338999) Show SMILES CCCN(CCC)CCOc1ccc(cc1)C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C23H29NO2/c1-3-16-24(17-4-2)18-19-26-22-13-11-21(12-14-22)23(25)15-10-20-8-6-5-7-9-20/h5-15H,3-4,16-19H2,1-2H3/b15-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.46E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hu'nan University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate incubated for 25 mins by Ellman's method				Bioorg Med Chem 22: 6124-33 (2014) Article DOI: 10.1016/j.bmc.2014.08.033 BindingDB Entry DOI: 10.7270/Q2474CNV
					More data for this Ligand-Target Pair

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