Compile Data Set for Download or QSAR

Found 56 hits Enz. Inhib. hit(s) with all data for entry = 50020875   

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
Cholinesterase (Homo sapiens (Human))	BDBM50218506 (3-{4-[(benzylmethylamino)methyl]phenyl}-6,7-dimeth...) Show SMILES COc1cc2occ(-c3ccc(CN(C)Cc4ccccc4)cc3)c(=O)c2cc1OC Show InChI InChI=1S/C26H25NO4/c1-27(15-18-7-5-4-6-8-18)16-19-9-11-20(12-10-19)22-17-31-23-14-25(30-3)24(29-2)13-21(23)26(22)28/h4-14,17H,15-16H2,1-3H3	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	>0	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant BChE				J Med Chem 50: 4250-4 (2007) Article DOI: 10.1021/jm070100g BindingDB Entry DOI: 10.7270/Q2QC036V
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50218521 (3-{3-[(benzylethylamino)-methyl]-phenyl}-6,7-dimet...) Show SMILES CCN(Cc1ccccc1)Cc1cccc(c1)-c1coc2cc(OC)c(OC)cc2c1=O Show InChI InChI=1S/C27H27NO4/c1-4-28(16-19-9-6-5-7-10-19)17-20-11-8-12-21(13-20)23-18-32-24-15-26(31-3)25(30-2)14-22(24)27(23)29/h5-15,18H,4,16-17H2,1-3H3	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	>0	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant BChE				J Med Chem 50: 4250-4 (2007) Article DOI: 10.1021/jm070100g BindingDB Entry DOI: 10.7270/Q2QC036V
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50218525 (6,7-dimethoxy-3-(4-{[(4-methoxybenzyl)methylamino]...) Show SMILES COc1ccc(CN(C)Cc2ccc(cc2)-c2cc3cc(OC)c(OC)cc3oc2=O)cc1 Show InChI InChI=1S/C27H27NO5/c1-28(17-19-7-11-22(30-2)12-8-19)16-18-5-9-20(10-6-18)23-13-21-14-25(31-3)26(32-4)15-24(21)33-27(23)29/h5-15H,16-17H2,1-4H3	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	>0	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant BChE				J Med Chem 50: 4250-4 (2007) Article DOI: 10.1021/jm070100g BindingDB Entry DOI: 10.7270/Q2QC036V
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50218504 (3-{3-[(benzylmethylamino)methyl]phenyl}-6,7-dimeth...) Show SMILES COc1cc2occ(-c3cccc(CN(C)Cc4ccccc4)c3)c(=O)c2cc1OC Show InChI InChI=1S/C26H25NO4/c1-27(15-18-8-5-4-6-9-18)16-19-10-7-11-20(12-19)22-17-31-23-14-25(30-3)24(29-2)13-21(23)26(22)28/h4-14,17H,15-16H2,1-3H3	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	>0	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant BChE				J Med Chem 50: 4250-4 (2007) Article DOI: 10.1021/jm070100g BindingDB Entry DOI: 10.7270/Q2QC036V
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50218507 (6,7-dimethoxy-3-(4-{[(3-nitrobenzyl)methylamino]me...) Show SMILES COc1cc2cc(-c3ccc(CN(C)Cc4cccc(c4)[N+]([O-])=O)cc3)c(=O)oc2cc1OC Show InChI InChI=1S/C26H24N2O6/c1-27(16-18-5-4-6-21(11-18)28(30)31)15-17-7-9-19(10-8-17)22-12-20-13-24(32-2)25(33-3)14-23(20)34-26(22)29/h4-14H,15-16H2,1-3H3	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	>0	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant BChE				J Med Chem 50: 4250-4 (2007) Article DOI: 10.1021/jm070100g BindingDB Entry DOI: 10.7270/Q2QC036V
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50218508 (6,7-dimethoxy-3-(4-{[(3-methoxybenzyl)methylamino]...) Show SMILES COc1cccc(CN(C)Cc2ccc(cc2)-c2cc3cc(OC)c(OC)cc3oc2=O)c1 Show InChI InChI=1S/C27H27NO5/c1-28(17-19-6-5-7-22(12-19)30-2)16-18-8-10-20(11-9-18)23-13-21-14-25(31-3)26(32-4)15-24(21)33-27(23)29/h5-15H,16-17H2,1-4H3	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	>0	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant BChE				J Med Chem 50: 4250-4 (2007) Article DOI: 10.1021/jm070100g BindingDB Entry DOI: 10.7270/Q2QC036V
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50218522 (6-amino-3-{4-[(benzylmethylamino)methyl]phenyl}-ch...) Show SMILES CN(Cc1ccccc1)Cc1ccc(cc1)-c1cc2cc(N)ccc2oc1=O Show InChI InChI=1S/C24H22N2O2/c1-26(15-17-5-3-2-4-6-17)16-18-7-9-19(10-8-18)22-14-20-13-21(25)11-12-23(20)28-24(22)27/h2-14H,15-16,25H2,1H3	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	>0	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant BChE				J Med Chem 50: 4250-4 (2007) Article DOI: 10.1021/jm070100g BindingDB Entry DOI: 10.7270/Q2QC036V
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50218519 (6,7-dimethoxy-3-(4-{[(2-nitrobenzyl)methylamino]me...) Show SMILES COc1cc2cc(-c3ccc(CN(C)Cc4ccccc4[N+]([O-])=O)cc3)c(=O)oc2cc1OC Show InChI InChI=1S/C26H24N2O6/c1-27(16-19-6-4-5-7-22(19)28(30)31)15-17-8-10-18(11-9-17)21-12-20-13-24(32-2)25(33-3)14-23(20)34-26(21)29/h4-14H,15-16H2,1-3H3	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	>0	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant BChE				J Med Chem 50: 4250-4 (2007) Article DOI: 10.1021/jm070100g BindingDB Entry DOI: 10.7270/Q2QC036V
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50218511 (6,7-dimethoxy-3-(4-{[(4-nitrobenzyl)methylamino]me...) Show SMILES COc1cc2cc(-c3ccc(CN(C)Cc4ccc(cc4)[N+]([O-])=O)cc3)c(=O)oc2cc1OC Show InChI InChI=1S/C26H24N2O6/c1-27(16-18-6-10-21(11-7-18)28(30)31)15-17-4-8-19(9-5-17)22-12-20-13-24(32-2)25(33-3)14-23(20)34-26(22)29/h4-14H,15-16H2,1-3H3	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	>0	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant BChE				J Med Chem 50: 4250-4 (2007) Article DOI: 10.1021/jm070100g BindingDB Entry DOI: 10.7270/Q2QC036V
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50218524 (6-[(benzylmethylamino)methyl]-2,3-dimethoxyxanthen...) Show SMILES COc1cc2oc3cc(CN(C)Cc4ccccc4)ccc3c(=O)c2cc1OC Show InChI InChI=1S/C24H23NO4/c1-25(14-16-7-5-4-6-8-16)15-17-9-10-18-20(11-17)29-21-13-23(28-3)22(27-2)12-19(21)24(18)26/h4-13H,14-15H2,1-3H3	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	>0	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant BChE				J Med Chem 50: 4250-4 (2007) Article DOI: 10.1021/jm070100g BindingDB Entry DOI: 10.7270/Q2QC036V
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50218529 (6,7-dimethoxy-3-(4-{[(4-methylbenzyl)methylamino]m...) Show SMILES COc1cc2cc(-c3ccc(CN(C)Cc4ccc(C)cc4)cc3)c(=O)oc2cc1OC Show InChI InChI=1S/C27H27NO4/c1-18-5-7-19(8-6-18)16-28(2)17-20-9-11-21(12-10-20)23-13-22-14-25(30-3)26(31-4)15-24(22)32-27(23)29/h5-15H,16-17H2,1-4H3	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	>0	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant BChE				J Med Chem 50: 4250-4 (2007) Article DOI: 10.1021/jm070100g BindingDB Entry DOI: 10.7270/Q2QC036V
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50218526 (6,7-dimethoxy-3-(4-{[(3-methylbenzyl)methylamino]m...) Show SMILES COc1cc2cc(-c3ccc(CN(C)Cc4cccc(C)c4)cc3)c(=O)oc2cc1OC Show InChI InChI=1S/C27H27NO4/c1-18-6-5-7-20(12-18)17-28(2)16-19-8-10-21(11-9-19)23-13-22-14-25(30-3)26(31-4)15-24(22)32-27(23)29/h5-15H,16-17H2,1-4H3	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	>0	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant BChE				J Med Chem 50: 4250-4 (2007) Article DOI: 10.1021/jm070100g BindingDB Entry DOI: 10.7270/Q2QC036V
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50218516 (6,7-dimethoxy-3-(4-{[(2-methylbenzyl)methylamino]m...) Show SMILES COc1cc2cc(-c3ccc(CN(C)Cc4ccccc4C)cc3)c(=O)oc2cc1OC Show InChI InChI=1S/C27H27NO4/c1-18-7-5-6-8-21(18)17-28(2)16-19-9-11-20(12-10-19)23-13-22-14-25(30-3)26(31-4)15-24(22)32-27(23)29/h5-15H,16-17H2,1-4H3	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	>0	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant BChE				J Med Chem 50: 4250-4 (2007) Article DOI: 10.1021/jm070100g BindingDB Entry DOI: 10.7270/Q2QC036V
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50218523 (2-{4-[(benzylmethylamino)methyl]phenyl}-6,7-dimeth...) Show SMILES COc1cc2oc(cc(=O)c2cc1OC)-c1ccc(CN(C)Cc2ccccc2)cc1 Show InChI InChI=1S/C26H25NO4/c1-27(16-18-7-5-4-6-8-18)17-19-9-11-20(12-10-19)23-14-22(28)21-13-25(29-2)26(30-3)15-24(21)31-23/h4-15H,16-17H2,1-3H3	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	>0	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant BChE				J Med Chem 50: 4250-4 (2007) Article DOI: 10.1021/jm070100g BindingDB Entry DOI: 10.7270/Q2QC036V
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50218503 (3-{3-[(benzylmethylamino)methyl]phenyl}-7-methoxyc...) Show SMILES COc1ccc2cc(-c3cccc(CN(C)Cc4ccccc4)c3)c(=O)oc2c1 Show InChI InChI=1S/C25H23NO3/c1-26(16-18-7-4-3-5-8-18)17-19-9-6-10-20(13-19)23-14-21-11-12-22(28-2)15-24(21)29-25(23)27/h3-15H,16-17H2,1-2H3	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	>0	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant BChE				J Med Chem 50: 4250-4 (2007) Article DOI: 10.1021/jm070100g BindingDB Entry DOI: 10.7270/Q2QC036V
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50218514 (2-{4-[(benzylmethylamino)methyl]phenyl}-7-methoxyc...) Show SMILES COc1ccc2c(c1)oc(cc2=O)-c1ccc(CN(C)Cc2ccccc2)cc1 Show InChI InChI=1S/C25H23NO3/c1-26(16-18-6-4-3-5-7-18)17-19-8-10-20(11-9-19)24-15-23(27)22-13-12-21(28-2)14-25(22)29-24/h3-15H,16-17H2,1-2H3	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	>0	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant BChE				J Med Chem 50: 4250-4 (2007) Article DOI: 10.1021/jm070100g BindingDB Entry DOI: 10.7270/Q2QC036V
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50218510 (3-{4-[(benzylmethylamino)methyl]phenyl}-6-nitrochr...) Show SMILES CN(Cc1ccccc1)Cc1ccc(cc1)-c1cc2cc(ccc2oc1=O)[N+]([O-])=O Show InChI InChI=1S/C24H20N2O4/c1-25(15-17-5-3-2-4-6-17)16-18-7-9-19(10-8-18)22-14-20-13-21(26(28)29)11-12-23(20)30-24(22)27/h2-14H,15-16H2,1H3	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	>0	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant BChE				J Med Chem 50: 4250-4 (2007) Article DOI: 10.1021/jm070100g BindingDB Entry DOI: 10.7270/Q2QC036V
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50218509 (2-{3-[(benzylmethylamino)methyl]phenyl}-6,7-dimeth...) Show SMILES COc1cc2oc(cc(=O)c2cc1OC)-c1cccc(CN(C)Cc2ccccc2)c1 Show InChI InChI=1S/C26H25NO4/c1-27(16-18-8-5-4-6-9-18)17-19-10-7-11-20(12-19)23-14-22(28)21-13-25(29-2)26(30-3)15-24(21)31-23/h4-15H,16-17H2,1-3H3	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	>0	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant BChE				J Med Chem 50: 4250-4 (2007) Article DOI: 10.1021/jm070100g BindingDB Entry DOI: 10.7270/Q2QC036V
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50218515 (CHEMBL396199 | benzyl-[4-(6,7-dimethoxy-2-oxo-2H-c...) Show SMILES COc1cc2cc(-c3ccc(C[N+](C)(C)Cc4ccccc4)cc3)c(=O)oc2cc1OC Show InChI InChI=1S/C27H28NO4/c1-28(2,17-19-8-6-5-7-9-19)18-20-10-12-21(13-11-20)23-14-22-15-25(30-3)26(31-4)16-24(22)32-27(23)29/h5-16H,17-18H2,1-4H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG 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
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE				J Med Chem 50: 4250-4 (2007) Article DOI: 10.1021/jm070100g BindingDB Entry DOI: 10.7270/Q2QC036V
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50218528 (3-(4-((benzyl(ethyl)amino)methyl)phenyl)-6,7-dimet...) Show SMILES CCN(Cc1ccccc1)Cc1ccc(cc1)-c1cc2cc(OC)c(OC)cc2oc1=O Show InChI InChI=1S/C27H27NO4/c1-4-28(17-19-8-6-5-7-9-19)18-20-10-12-21(13-11-20)23-14-22-15-25(30-2)26(31-3)16-24(22)32-27(23)29/h5-16H,4,17-18H2,1-3H3	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	18	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE				J Med Chem 50: 4250-4 (2007) Article DOI: 10.1021/jm070100g BindingDB Entry DOI: 10.7270/Q2QC036V
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE				J Med Chem 50: 4250-4 (2007) Article DOI: 10.1021/jm070100g BindingDB Entry DOI: 10.7270/Q2QC036V
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50218513 (3-(4-{[benzyl-(2-hydroxyethyl)amino]methyl}phenyl)...) Show SMILES COc1cc2cc(-c3ccc(CN(CCO)Cc4ccccc4)cc3)c(=O)oc2cc1OC Show InChI InChI=1S/C27H27NO5/c1-31-25-15-22-14-23(27(30)33-24(22)16-26(25)32-2)21-10-8-20(9-11-21)18-28(12-13-29)17-19-6-4-3-5-7-19/h3-11,14-16,29H,12-13,17-18H2,1-2H3	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	49	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE				J Med Chem 50: 4250-4 (2007) Article DOI: 10.1021/jm070100g BindingDB Entry DOI: 10.7270/Q2QC036V
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50218527 (6,7-dimethoxy-3-(4-{[(2-methoxybenzyl)methylamino]...) Show SMILES COc1ccccc1CN(C)Cc1ccc(cc1)-c1cc2cc(OC)c(OC)cc2oc1=O Show InChI InChI=1S/C27H27NO5/c1-28(17-20-7-5-6-8-23(20)30-2)16-18-9-11-19(12-10-18)22-13-21-14-25(31-3)26(32-4)15-24(21)33-27(22)29/h5-15H,16-17H2,1-4H3	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	62	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE				J Med Chem 50: 4250-4 (2007) Article DOI: 10.1021/jm070100g BindingDB Entry DOI: 10.7270/Q2QC036V
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50218526 (6,7-dimethoxy-3-(4-{[(3-methylbenzyl)methylamino]m...) Show SMILES COc1cc2cc(-c3ccc(CN(C)Cc4cccc(C)c4)cc3)c(=O)oc2cc1OC Show InChI InChI=1S/C27H27NO4/c1-18-6-5-7-20(12-18)17-28(2)16-19-8-10-21(11-9-19)23-13-22-14-25(30-3)26(31-4)15-24(22)32-27(23)29/h5-15H,16-17H2,1-4H3	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	122	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE				J Med Chem 50: 4250-4 (2007) Article DOI: 10.1021/jm070100g BindingDB Entry DOI: 10.7270/Q2QC036V
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50218510 (3-{4-[(benzylmethylamino)methyl]phenyl}-6-nitrochr...) Show SMILES CN(Cc1ccccc1)Cc1ccc(cc1)-c1cc2cc(ccc2oc1=O)[N+]([O-])=O Show InChI InChI=1S/C24H20N2O4/c1-25(15-17-5-3-2-4-6-17)16-18-7-9-19(10-8-18)22-14-20-13-21(26(28)29)11-12-23(20)30-24(22)27/h2-14H,15-16H2,1H3	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	148	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE				J Med Chem 50: 4250-4 (2007) Article DOI: 10.1021/jm070100g BindingDB Entry DOI: 10.7270/Q2QC036V
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50218505 (3-{4-[(benzylmethylamino)methyl]phenyl}-6-methoxyc...) Show SMILES COc1ccc2oc(=O)c(cc2c1)-c1ccc(CN(C)Cc2ccccc2)cc1 Show InChI InChI=1S/C25H23NO3/c1-26(16-18-6-4-3-5-7-18)17-19-8-10-20(11-9-19)23-15-21-14-22(28-2)12-13-24(21)29-25(23)27/h3-15H,16-17H2,1-2H3	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	163	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE				J Med Chem 50: 4250-4 (2007) Article DOI: 10.1021/jm070100g BindingDB Entry DOI: 10.7270/Q2QC036V
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50218518 (3-{3-[(benzylmethylamino)methyl]phenyl}-6,7-dimeth...) Show SMILES COc1cc2cc(-c3cccc(CN(C)Cc4ccccc4)c3)c(=O)oc2cc1OC Show InChI InChI=1S/C26H25NO4/c1-27(16-18-8-5-4-6-9-18)17-19-10-7-11-20(12-19)22-13-21-14-24(29-2)25(30-3)15-23(21)31-26(22)28/h4-15H,16-17H2,1-3H3	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	202	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE				J Med Chem 50: 4250-4 (2007) Article DOI: 10.1021/jm070100g BindingDB Entry DOI: 10.7270/Q2QC036V
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50218522 (6-amino-3-{4-[(benzylmethylamino)methyl]phenyl}-ch...) Show SMILES CN(Cc1ccccc1)Cc1ccc(cc1)-c1cc2cc(N)ccc2oc1=O Show InChI InChI=1S/C24H22N2O2/c1-26(15-17-5-3-2-4-6-17)16-18-7-9-19(10-8-18)22-14-20-13-21(25)11-12-23(20)28-24(22)27/h2-14H,15-16,25H2,1H3	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	281	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE				J Med Chem 50: 4250-4 (2007) Article DOI: 10.1021/jm070100g BindingDB Entry DOI: 10.7270/Q2QC036V
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50218520 (3-{3-[(benzylmethylamino)methyl]phenyl}-6-methoxyc...) Show SMILES COc1ccc2oc(=O)c(cc2c1)-c1cccc(CN(C)Cc2ccccc2)c1 Show InChI InChI=1S/C25H23NO3/c1-26(16-18-7-4-3-5-8-18)17-19-9-6-10-20(13-19)23-15-21-14-22(28-2)11-12-24(21)29-25(23)27/h3-15H,16-17H2,1-2H3	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	303	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE				J Med Chem 50: 4250-4 (2007) Article DOI: 10.1021/jm070100g BindingDB Entry DOI: 10.7270/Q2QC036V
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50218529 (6,7-dimethoxy-3-(4-{[(4-methylbenzyl)methylamino]m...) Show SMILES COc1cc2cc(-c3ccc(CN(C)Cc4ccc(C)cc4)cc3)c(=O)oc2cc1OC Show InChI InChI=1S/C27H27NO4/c1-18-5-7-19(8-6-18)16-28(2)17-20-9-11-21(12-10-20)23-13-22-14-25(30-3)26(31-4)15-24(22)32-27(23)29/h5-15H,16-17H2,1-4H3	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	310	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE				J Med Chem 50: 4250-4 (2007) Article DOI: 10.1021/jm070100g BindingDB Entry DOI: 10.7270/Q2QC036V
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50218516 (6,7-dimethoxy-3-(4-{[(2-methylbenzyl)methylamino]m...) Show SMILES COc1cc2cc(-c3ccc(CN(C)Cc4ccccc4C)cc3)c(=O)oc2cc1OC Show InChI InChI=1S/C27H27NO4/c1-18-7-5-6-8-21(18)17-28(2)16-19-9-11-20(12-10-19)23-13-22-14-25(30-3)26(31-4)15-24(22)32-27(23)29/h5-15H,16-17H2,1-4H3	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	366	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE				J Med Chem 50: 4250-4 (2007) Article DOI: 10.1021/jm070100g BindingDB Entry DOI: 10.7270/Q2QC036V
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50218507 (6,7-dimethoxy-3-(4-{[(3-nitrobenzyl)methylamino]me...) Show SMILES COc1cc2cc(-c3ccc(CN(C)Cc4cccc(c4)[N+]([O-])=O)cc3)c(=O)oc2cc1OC Show InChI InChI=1S/C26H24N2O6/c1-27(16-18-5-4-6-21(11-18)28(30)31)15-17-7-9-19(10-8-17)22-12-20-13-24(32-2)25(33-3)14-23(20)34-26(22)29/h4-14H,15-16H2,1-3H3	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	368	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE				J Med Chem 50: 4250-4 (2007) Article DOI: 10.1021/jm070100g BindingDB Entry DOI: 10.7270/Q2QC036V
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50218508 (6,7-dimethoxy-3-(4-{[(3-methoxybenzyl)methylamino]...) Show SMILES COc1cccc(CN(C)Cc2ccc(cc2)-c2cc3cc(OC)c(OC)cc3oc2=O)c1 Show InChI InChI=1S/C27H27NO5/c1-28(17-19-6-5-7-22(12-19)30-2)16-18-8-10-20(11-9-18)23-13-21-14-25(31-3)26(32-4)15-24(21)33-27(23)29/h5-15H,16-17H2,1-4H3	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	714	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE				J Med Chem 50: 4250-4 (2007) Article DOI: 10.1021/jm070100g BindingDB Entry DOI: 10.7270/Q2QC036V
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50218517 (3-{4-[(benzylmethylamino)methyl]phenyl}-7-methoxyc...) Show SMILES COc1ccc2cc(-c3ccc(CN(C)Cc4ccccc4)cc3)c(=O)oc2c1 Show InChI InChI=1S/C25H23NO3/c1-26(16-18-6-4-3-5-7-18)17-19-8-10-20(11-9-19)23-14-21-12-13-22(28-2)15-24(21)29-25(23)27/h3-15H,16-17H2,1-2H3	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	892	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE				J Med Chem 50: 4250-4 (2007) Article DOI: 10.1021/jm070100g BindingDB Entry DOI: 10.7270/Q2QC036V
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50218519 (6,7-dimethoxy-3-(4-{[(2-nitrobenzyl)methylamino]me...) Show SMILES COc1cc2cc(-c3ccc(CN(C)Cc4ccccc4[N+]([O-])=O)cc3)c(=O)oc2cc1OC Show InChI InChI=1S/C26H24N2O6/c1-27(16-19-6-4-5-7-22(19)28(30)31)15-17-8-10-18(11-9-17)21-12-20-13-24(32-2)25(33-3)14-23(20)34-26(21)29/h4-14H,15-16H2,1-3H3	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	987	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE				J Med Chem 50: 4250-4 (2007) Article DOI: 10.1021/jm070100g BindingDB Entry DOI: 10.7270/Q2QC036V
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50218506 (3-{4-[(benzylmethylamino)methyl]phenyl}-6,7-dimeth...) Show SMILES COc1cc2occ(-c3ccc(CN(C)Cc4ccccc4)cc3)c(=O)c2cc1OC Show InChI InChI=1S/C26H25NO4/c1-27(15-18-7-5-4-6-8-18)16-19-9-11-20(12-10-19)22-17-31-23-14-25(30-3)24(29-2)13-21(23)26(22)28/h4-14,17H,15-16H2,1-3H3	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	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE				J Med Chem 50: 4250-4 (2007) Article DOI: 10.1021/jm070100g BindingDB Entry DOI: 10.7270/Q2QC036V
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50218521 (3-{3-[(benzylethylamino)-methyl]-phenyl}-6,7-dimet...) Show SMILES CCN(Cc1ccccc1)Cc1cccc(c1)-c1coc2cc(OC)c(OC)cc2c1=O Show InChI InChI=1S/C27H27NO4/c1-4-28(16-19-9-6-5-7-10-19)17-20-11-8-12-21(13-20)23-18-32-24-15-26(31-3)25(30-2)14-22(24)27(23)29/h5-15,18H,4,16-17H2,1-3H3	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	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE				J Med Chem 50: 4250-4 (2007) Article DOI: 10.1021/jm070100g BindingDB Entry DOI: 10.7270/Q2QC036V
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50218504 (3-{3-[(benzylmethylamino)methyl]phenyl}-6,7-dimeth...) Show SMILES COc1cc2occ(-c3cccc(CN(C)Cc4ccccc4)c3)c(=O)c2cc1OC Show InChI InChI=1S/C26H25NO4/c1-27(15-18-8-5-4-6-9-18)16-19-10-7-11-20(12-19)22-17-31-23-14-25(30-3)24(29-2)13-21(23)26(22)28/h4-14,17H,15-16H2,1-3H3	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	2.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE				J Med Chem 50: 4250-4 (2007) Article DOI: 10.1021/jm070100g BindingDB Entry DOI: 10.7270/Q2QC036V
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50218525 (6,7-dimethoxy-3-(4-{[(4-methoxybenzyl)methylamino]...) Show SMILES COc1ccc(CN(C)Cc2ccc(cc2)-c2cc3cc(OC)c(OC)cc3oc2=O)cc1 Show InChI InChI=1S/C27H27NO5/c1-28(17-19-7-11-22(30-2)12-8-19)16-18-5-9-20(10-6-18)23-13-21-14-25(31-3)26(32-4)15-24(21)33-27(23)29/h5-15H,16-17H2,1-4H3	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	2.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE				J Med Chem 50: 4250-4 (2007) Article DOI: 10.1021/jm070100g BindingDB Entry DOI: 10.7270/Q2QC036V
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50218509 (2-{3-[(benzylmethylamino)methyl]phenyl}-6,7-dimeth...) Show SMILES COc1cc2oc(cc(=O)c2cc1OC)-c1cccc(CN(C)Cc2ccccc2)c1 Show InChI InChI=1S/C26H25NO4/c1-27(16-18-8-5-4-6-9-18)17-19-10-7-11-20(12-19)23-14-22(28)21-13-25(29-2)26(30-3)15-24(21)31-23/h4-15H,16-17H2,1-3H3	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	2.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE				J Med Chem 50: 4250-4 (2007) Article DOI: 10.1021/jm070100g BindingDB Entry DOI: 10.7270/Q2QC036V
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50218503 (3-{3-[(benzylmethylamino)methyl]phenyl}-7-methoxyc...) Show SMILES COc1ccc2cc(-c3cccc(CN(C)Cc4ccccc4)c3)c(=O)oc2c1 Show InChI InChI=1S/C25H23NO3/c1-26(16-18-7-4-3-5-8-18)17-19-9-6-10-20(13-19)23-14-21-11-12-22(28-2)15-24(21)29-25(23)27/h3-15H,16-17H2,1-2H3	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	2.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE				J Med Chem 50: 4250-4 (2007) Article DOI: 10.1021/jm070100g BindingDB Entry DOI: 10.7270/Q2QC036V
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50218523 (2-{4-[(benzylmethylamino)methyl]phenyl}-6,7-dimeth...) Show SMILES COc1cc2oc(cc(=O)c2cc1OC)-c1ccc(CN(C)Cc2ccccc2)cc1 Show InChI InChI=1S/C26H25NO4/c1-27(16-18-7-5-4-6-8-18)17-19-9-11-20(12-10-19)23-14-22(28)21-13-25(29-2)26(30-3)15-24(21)31-23/h4-15H,16-17H2,1-3H3	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	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE				J Med Chem 50: 4250-4 (2007) Article DOI: 10.1021/jm070100g BindingDB Entry DOI: 10.7270/Q2QC036V
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50218512 (2-{4-[(benzylmethylamino)methyl]phenyl}-6-methoxyc...) Show SMILES COc1ccc2oc(cc(=O)c2c1)-c1ccc(CN(C)Cc2ccccc2)cc1 Show InChI InChI=1S/C25H23NO3/c1-26(16-18-6-4-3-5-7-18)17-19-8-10-20(11-9-19)25-15-23(27)22-14-21(28-2)12-13-24(22)29-25/h3-15H,16-17H2,1-2H3	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	1.81E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE				J Med Chem 50: 4250-4 (2007) Article DOI: 10.1021/jm070100g BindingDB Entry DOI: 10.7270/Q2QC036V
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50218511 (6,7-dimethoxy-3-(4-{[(4-nitrobenzyl)methylamino]me...) Show SMILES COc1cc2cc(-c3ccc(CN(C)Cc4ccc(cc4)[N+]([O-])=O)cc3)c(=O)oc2cc1OC Show InChI InChI=1S/C26H24N2O6/c1-27(16-18-6-10-21(11-7-18)28(30)31)15-17-4-8-19(9-5-17)22-12-20-13-24(32-2)25(33-3)14-23(20)34-26(22)29/h4-14H,15-16H2,1-3H3	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	2.46E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE				J Med Chem 50: 4250-4 (2007) Article DOI: 10.1021/jm070100g BindingDB Entry DOI: 10.7270/Q2QC036V
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50218524 (6-[(benzylmethylamino)methyl]-2,3-dimethoxyxanthen...) Show SMILES COc1cc2oc3cc(CN(C)Cc4ccccc4)ccc3c(=O)c2cc1OC Show InChI InChI=1S/C24H23NO4/c1-25(14-16-7-5-4-6-8-16)15-17-9-10-18-20(11-17)29-21-13-23(28-3)22(27-2)12-19(21)24(18)26/h4-13H,14-15H2,1-3H3	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	3.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE				J Med Chem 50: 4250-4 (2007) Article DOI: 10.1021/jm070100g BindingDB Entry DOI: 10.7270/Q2QC036V
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50218513 (3-(4-{[benzyl-(2-hydroxyethyl)amino]methyl}phenyl)...) Show SMILES COc1cc2cc(-c3ccc(CN(CCO)Cc4ccccc4)cc3)c(=O)oc2cc1OC Show InChI InChI=1S/C27H27NO5/c1-31-25-15-22-14-23(27(30)33-24(22)16-26(25)32-2)21-10-8-20(9-11-21)18-28(12-13-29)17-19-6-4-3-5-7-19/h3-11,14-16,29H,12-13,17-18H2,1-2H3	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	3.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant BChE				J Med Chem 50: 4250-4 (2007) Article DOI: 10.1021/jm070100g BindingDB Entry DOI: 10.7270/Q2QC036V
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50218515 (CHEMBL396199 | benzyl-[4-(6,7-dimethoxy-2-oxo-2H-c...) Show SMILES COc1cc2cc(-c3ccc(C[N+](C)(C)Cc4ccccc4)cc3)c(=O)oc2cc1OC Show InChI InChI=1S/C27H28NO4/c1-28(2,17-19-8-6-5-7-9-19)18-20-10-12-21(13-11-20)23-14-22-15-25(30-3)26(31-4)16-24(22)32-27(23)29/h5-16H,17-18H2,1-4H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.38E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant BChE				J Med Chem 50: 4250-4 (2007) Article DOI: 10.1021/jm070100g BindingDB Entry DOI: 10.7270/Q2QC036V
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.89E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant BChE				J Med Chem 50: 4250-4 (2007) Article DOI: 10.1021/jm070100g BindingDB Entry DOI: 10.7270/Q2QC036V
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50218527 (6,7-dimethoxy-3-(4-{[(2-methoxybenzyl)methylamino]...) Show SMILES COc1ccccc1CN(C)Cc1ccc(cc1)-c1cc2cc(OC)c(OC)cc2oc1=O Show InChI InChI=1S/C27H27NO5/c1-28(17-20-7-5-6-8-23(20)30-2)16-18-9-11-19(12-10-18)22-13-21-14-25(31-3)26(32-4)15-24(21)33-27(22)29/h5-15H,16-17H2,1-4H3	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	5.29E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant BChE				J Med Chem 50: 4250-4 (2007) Article DOI: 10.1021/jm070100g BindingDB Entry DOI: 10.7270/Q2QC036V
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50218514 (2-{4-[(benzylmethylamino)methyl]phenyl}-7-methoxyc...) Show SMILES COc1ccc2c(c1)oc(cc2=O)-c1ccc(CN(C)Cc2ccccc2)cc1 Show InChI InChI=1S/C25H23NO3/c1-26(16-18-6-4-3-5-7-18)17-19-8-10-20(11-9-19)24-15-23(27)22-13-12-21(28-2)14-25(22)29-24/h3-15H,16-17H2,1-2H3	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	8.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE				J Med Chem 50: 4250-4 (2007) Article DOI: 10.1021/jm070100g BindingDB Entry DOI: 10.7270/Q2QC036V
					More data for this Ligand-Target Pair

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