Compile Data Set for Download or QSAR

Found 368 hits with Last Name = 'piazzi' and Initial = 'l'   

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	20.5	-45.6	23.1	n/a	n/a	n/a	n/a	8.0	37
University of Bologna					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Estimates of the competitive inhibition constants (Ki) were ob...				J Med Chem 46: 2279-82 (2003) Article DOI: 10.1021/jm0340602 BindingDB Entry DOI: 10.7270/Q29Z9332
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	21.7	-45.5	44.5	n/a	n/a	n/a	n/a	8.0	37
University of Bologna					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Estimates of the competitive inhibition constants (Ki) were ob...				J Med Chem 46: 2279-82 (2003) Article DOI: 10.1021/jm0340602 BindingDB Entry DOI: 10.7270/Q29Z9332
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50308280 (2-{4-[(Benzylmethylamino)methyl]benzylidene}-6-(5-...) Show SMILES CN(Cc1ccccc1)Cc1ccc(\C=C2/CCc3cc(OCCCCCN4CCCCC4)ccc3C2=O)cc1 Show InChI InChI=1S/C36H44N2O2/c1-37(27-30-11-5-2-6-12-30)28-31-15-13-29(14-16-31)25-33-18-17-32-26-34(19-20-35(32)36(33)39)40-24-10-4-9-23-38-21-7-3-8-22-38/h2,5-6,11-16,19-20,25-26H,3-4,7-10,17-18,21-24,27-28H2,1H3/b33-25+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	61.1	n/a	n/a	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-mediated hydrolysis of acetylcholine by Lineweaver-Burk plot analysis				Bioorg Med Chem 18: 1749-60 (2010) Article DOI: 10.1016/j.bmc.2010.01.071 BindingDB Entry DOI: 10.7270/Q2P26Z7H
					More data for this Ligand-Target Pair
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))	BDBM10692 (3-{[methyl({3-[(9-oxo-9H-xanthen-3-yl)oxy]propyl})...) Show SMILES CNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(c2)oc2ccccc2c3=O)c1 Show InChI InChI=1S/C26H26N2O5/c1-27-26(30)32-20-8-5-7-18(15-20)17-28(2)13-6-14-31-19-11-12-22-24(16-19)33-23-10-4-3-9-21(23)25(22)29/h3-5,7-12,15-16H,6,13-14,17H2,1-2H3,(H,27,30)	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	0.300	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AchE				Bioorg Med Chem 15: 575-85 (2006) Article DOI: 10.1016/j.bmc.2006.09.026 BindingDB Entry DOI: 10.7270/Q2JS9Q2H
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10692 (3-{[methyl({3-[(9-oxo-9H-xanthen-3-yl)oxy]propyl})...) Show SMILES CNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(c2)oc2ccccc2c3=O)c1 Show InChI InChI=1S/C26H26N2O5/c1-27-26(30)32-20-8-5-7-18(15-20)17-28(2)13-6-14-31-19-11-12-22-24(16-19)33-23-10-4-3-9-21(23)25(22)29/h3-5,7-12,15-16H,6,13-14,17H2,1-2H3,(H,27,30)	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	0.300	n/a	n/a	n/a	n/a	8.0	37
University of Bologna					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 48: 4444-56 (2005) Article DOI: 10.1021/jm049515h BindingDB Entry DOI: 10.7270/Q2R78CF8
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10693 (3-{[methyl({7-[(9-oxo-9H-xanthen-3-yl)oxy]heptyl})...) Show SMILES CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3c(c2)oc2ccccc2c3=O)c1 Show InChI InChI=1S/C30H34N2O5/c1-31-30(34)36-24-12-10-11-22(19-24)21-32(2)17-8-4-3-5-9-18-35-23-15-16-26-28(20-23)37-27-14-7-6-13-25(27)29(26)33/h6-7,10-16,19-20H,3-5,8-9,17-18,21H2,1-2H3,(H,31,34)	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	0.320	n/a	n/a	n/a	n/a	8.0	37
University of Bologna					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 44: 3810-20 (2001) Article DOI: 10.1021/jm010914b BindingDB Entry DOI: 10.7270/Q2MG7MR0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10693 (3-{[methyl({7-[(9-oxo-9H-xanthen-3-yl)oxy]heptyl})...) Show SMILES CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3c(c2)oc2ccccc2c3=O)c1 Show InChI InChI=1S/C30H34N2O5/c1-31-30(34)36-24-12-10-11-22(19-24)21-32(2)17-8-4-3-5-9-18-35-23-15-16-26-28(20-23)37-27-14-7-6-13-25(27)29(26)33/h6-7,10-16,19-20H,3-5,8-9,17-18,21H2,1-2H3,(H,31,34)	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	0.320	n/a	n/a	n/a	n/a	8.0	37
University of Bologna					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 48: 4444-56 (2005) Article DOI: 10.1021/jm049515h BindingDB Entry DOI: 10.7270/Q2R78CF8
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10693 (3-{[methyl({7-[(9-oxo-9H-xanthen-3-yl)oxy]heptyl})...) Show SMILES CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3c(c2)oc2ccccc2c3=O)c1 Show InChI InChI=1S/C30H34N2O5/c1-31-30(34)36-24-12-10-11-22(19-24)21-32(2)17-8-4-3-5-9-18-35-23-15-16-26-28(20-23)37-27-14-7-6-13-25(27)29(26)33/h6-7,10-16,19-20H,3-5,8-9,17-18,21H2,1-2H3,(H,31,34)	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	0.320	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AchE				Bioorg Med Chem 15: 575-85 (2006) Article DOI: 10.1016/j.bmc.2006.09.026 BindingDB Entry DOI: 10.7270/Q2JS9Q2H
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10697 (3-{[methyl(7-{[(2Z)-3-oxo-2-(3,4,5-trimethoxybenzy...) Show SMILES CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3C(=O)C(Oc3c2)=Cc2cc(OC)c(OC)c(OC)c2)c1 |w:31.33| Show InChI InChI=1S/C35H42N2O8/c1-36-35(39)44-27-13-11-12-24(18-27)23-37(2)16-9-7-6-8-10-17-43-26-14-15-28-29(22-26)45-30(33(28)38)19-25-20-31(40-3)34(42-5)32(21-25)41-4/h11-15,18-22H,6-10,16-17,23H2,1-5H3,(H,36,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.520	n/a	n/a	n/a	n/a	8.0	37
University of Bologna					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 48: 4444-56 (2005) Article DOI: 10.1021/jm049515h BindingDB Entry DOI: 10.7270/Q2R78CF8
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10710 (3-{[methyl({6-[(9-oxo-9H-xanthen-3-yl)oxy]hexyl})a...) Show SMILES CNC(=O)Oc1cccc(CN(C)CCCCCCOc2ccc3c(c2)oc2ccccc2c3=O)c1 Show InChI InChI=1S/C29H32N2O5/c1-30-29(33)35-23-11-9-10-21(18-23)20-31(2)16-7-3-4-8-17-34-22-14-15-25-27(19-22)36-26-13-6-5-12-24(26)28(25)32/h5-6,9-15,18-19H,3-4,7-8,16-17,20H2,1-2H3,(H,30,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	8.0	37
University of Bologna					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 44: 3810-20 (2001) Article DOI: 10.1021/jm010914b BindingDB Entry DOI: 10.7270/Q2MG7MR0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10704 (3-{[methyl(7-{[(2E)-1-oxo-2-(3,4,5-trimethoxybenzy...) Show SMILES CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3C(=O)C(Cc3c2)=Cc2cc(OC)c(OC)c(OC)c2)c1 |w:31.33| Show InChI InChI=1S/C36H44N2O7/c1-37-36(40)45-30-13-11-12-25(19-30)24-38(2)16-9-7-6-8-10-17-44-29-14-15-31-27(23-29)22-28(34(31)39)18-26-20-32(41-3)35(43-5)33(21-26)42-4/h11-15,18-21,23H,6-10,16-17,22,24H2,1-5H3,(H,37,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	8.0	37
University of Bologna					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 48: 4444-56 (2005) Article DOI: 10.1021/jm049515h BindingDB Entry DOI: 10.7270/Q2R78CF8
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10701 (3-{[(7-{[(2Z)-2-benzylidene-3-oxo-2,3-dihydro-1-be...) Show SMILES CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3C(=O)C(Oc3c2)=Cc2ccccc2)c1 |w:31.33| Show InChI InChI=1S/C32H36N2O5/c1-33-32(36)38-27-15-11-14-25(20-27)23-34(2)18-9-4-3-5-10-19-37-26-16-17-28-29(22-26)39-30(31(28)35)21-24-12-7-6-8-13-24/h6-8,11-17,20-22H,3-5,9-10,18-19,23H2,1-2H3,(H,33,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.95	n/a	n/a	n/a	n/a	8.0	37
University of Bologna					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 48: 4444-56 (2005) Article DOI: 10.1021/jm049515h BindingDB Entry DOI: 10.7270/Q2R78CF8
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10699 (3-{[methyl(7-{[(2Z)-2-(2-naphthylmethylene)-3-oxo-...) Show SMILES CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3C(=O)C(Oc3c2)=Cc2ccc3ccccc3c2)c1 |w:31.33| Show InChI InChI=1S/C36H38N2O5/c1-37-36(40)42-31-14-10-11-27(22-31)25-38(2)19-8-4-3-5-9-20-41-30-17-18-32-33(24-30)43-34(35(32)39)23-26-15-16-28-12-6-7-13-29(28)21-26/h6-7,10-18,21-24H,3-5,8-9,19-20,25H2,1-2H3,(H,37,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.09	n/a	n/a	n/a	n/a	8.0	37
University of Bologna					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 48: 4444-56 (2005) Article DOI: 10.1021/jm049515h BindingDB Entry DOI: 10.7270/Q2R78CF8
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM9914 (3-[(R)-1H-imidazol-1-yl(4-nitrophenyl)methyl]-4H-c...) Show SMILES O=c1c(coc2ccccc12)[C@@H](c1ccc(cc1)N(=O)=O)n1ccnc1 |r| Show InChI InChI=1S/C19H13N3O4/c23-19-15-3-1-2-4-17(15)26-11-16(19)18(21-10-9-20-12-21)13-5-7-14(8-6-13)22(24)25/h1-12,18H/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	7.4	30
University of Bologna					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...				J Med Chem 48: 7282-9 (2005) Article DOI: 10.1021/jm058042r BindingDB Entry DOI: 10.7270/Q2JS9NN9
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10698 (3-{[methyl(7-{[(2Z)-2-(1-naphthylmethylene)-3-oxo-...) Show SMILES CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3C(=O)C(Oc3c2)=Cc2cccc3ccccc23)c1 |w:31.33| Show InChI InChI=1S/C36H38N2O5/c1-37-36(40)42-30-16-10-12-26(22-30)25-38(2)20-8-4-3-5-9-21-41-29-18-19-32-33(24-29)43-34(35(32)39)23-28-15-11-14-27-13-6-7-17-31(27)28/h6-7,10-19,22-24H,3-5,8-9,20-21,25H2,1-2H3,(H,37,40)	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	2.76	n/a	n/a	n/a	n/a	8.0	37
University of Bologna					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 48: 4444-56 (2005) Article DOI: 10.1021/jm049515h BindingDB Entry DOI: 10.7270/Q2R78CF8
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10694 (3-{[methyl(3-{[(2Z)-3-oxo-2-(3,4,5-trimethoxybenzy...) Show SMILES CNC(=O)Oc1cccc(CN(C)CCCOc2ccc3C(=O)C(Oc3c2)=Cc2cc(OC)c(OC)c(OC)c2)c1 |w:27.29| Show InChI InChI=1S/C31H34N2O8/c1-32-31(35)40-23-9-6-8-20(14-23)19-33(2)12-7-13-39-22-10-11-24-25(18-22)41-26(29(24)34)15-21-16-27(36-3)30(38-5)28(17-21)37-4/h6,8-11,14-18H,7,12-13,19H2,1-5H3,(H,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.99	n/a	n/a	n/a	n/a	8.0	37
University of Bologna					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 48: 4444-56 (2005) Article DOI: 10.1021/jm049515h BindingDB Entry DOI: 10.7270/Q2R78CF8
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM10725 (3-{[methyl({3-[(9-oxo-9H-xanthen-3-yl)oxy]propyl})...) Show SMILES CN(CCCOc1ccc2c(c1)oc1ccccc1c2=O)Cc1cccc(OC(=O)NCCCCCCCCCN2CCOCC2)c1 Show InChI InChI=1S/C38H49N3O6/c1-40(20-12-24-45-31-17-18-34-36(28-31)47-35-16-8-7-15-33(35)37(34)42)29-30-13-11-14-32(27-30)46-38(43)39-19-9-5-3-2-4-6-10-21-41-22-25-44-26-23-41/h7-8,11,13-18,27-28H,2-6,9-10,12,19-26,29H2,1H3,(H,39,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 44: 3810-20 (2001) Article DOI: 10.1021/jm010914b BindingDB Entry DOI: 10.7270/Q2MG7MR0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10696 (3-{[methyl(3-{[(2Z)-2-(2-naphthylmethylene)-3-oxo-...) Show SMILES CNC(=O)Oc1cccc(CN(C)CCCOc2ccc3C(=O)C(Oc3c2)=Cc2ccc3ccccc3c2)c1 |w:27.29| Show InChI InChI=1S/C32H30N2O5/c1-33-32(36)38-27-10-5-7-23(18-27)21-34(2)15-6-16-37-26-13-14-28-29(20-26)39-30(31(28)35)19-22-11-12-24-8-3-4-9-25(24)17-22/h3-5,7-14,17-20H,6,15-16,21H2,1-2H3,(H,33,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.41	n/a	n/a	n/a	n/a	8.0	37
University of Bologna					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 48: 4444-56 (2005) Article DOI: 10.1021/jm049515h BindingDB Entry DOI: 10.7270/Q2R78CF8
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM10724 (3-{[methyl({3-[(9-oxo-9H-xanthen-3-yl)oxy]propyl})...) Show SMILES CN(CCCOc1ccc2c(c1)oc1ccccc1c2=O)Cc1cccc(OC(=O)NCCCCCCCCN2CCOCC2)c1 Show InChI InChI=1S/C37H47N3O6/c1-39(19-11-23-44-30-16-17-33-35(27-30)46-34-15-7-6-14-32(34)36(33)41)28-29-12-10-13-31(26-29)45-37(42)38-18-8-4-2-3-5-9-20-40-21-24-43-25-22-40/h6-7,10,12-17,26-27H,2-5,8-9,11,18-25,28H2,1H3,(H,38,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 44: 3810-20 (2001) Article DOI: 10.1021/jm010914b BindingDB Entry DOI: 10.7270/Q2MG7MR0
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM10723 (3-{[methyl({3-[(9-oxo-9H-xanthen-3-yl)oxy]propyl})...) Show SMILES CN(CCCOc1ccc2c(c1)oc1ccccc1c2=O)Cc1cccc(OC(=O)NCCCCCCCN2CCOCC2)c1 Show InChI InChI=1S/C36H45N3O6/c1-38(18-10-22-43-29-15-16-32-34(26-29)45-33-14-6-5-13-31(33)35(32)40)27-28-11-9-12-30(25-28)44-36(41)37-17-7-3-2-4-8-19-39-20-23-42-24-21-39/h5-6,9,11-16,25-26H,2-4,7-8,10,17-24,27H2,1H3,(H,37,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 44: 3810-20 (2001) Article DOI: 10.1021/jm010914b BindingDB Entry DOI: 10.7270/Q2MG7MR0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10706 (3-{[methyl(7-{[(6E)-5-oxo-6-(3,4,5-trimethoxybenzy...) Show SMILES CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3C(=O)C(CCc3c2)=Cc2cc(OC)c(OC)c(OC)c2)c1 |w:32.34| Show InChI InChI=1S/C37H46N2O7/c1-38-37(41)46-31-13-11-12-26(21-31)25-39(2)18-9-7-6-8-10-19-45-30-16-17-32-28(24-30)14-15-29(35(32)40)20-27-22-33(42-3)36(44-5)34(23-27)43-4/h11-13,16-17,20-24H,6-10,14-15,18-19,25H2,1-5H3,(H,38,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.94	n/a	n/a	n/a	n/a	8.0	37
University of Bologna					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 48: 4444-56 (2005) Article DOI: 10.1021/jm049515h BindingDB Entry DOI: 10.7270/Q2R78CF8
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50216367 (CHEMBL243961 | biphenyl-4-yl-(3-imidazol-1-ylmethy...) Show SMILES O=C(c1ccc(cc1)-c1ccccc1)c1cccc(Cn2ccnc2)c1 Show InChI InChI=1S/C23H18N2O/c26-23(21-11-9-20(10-12-21)19-6-2-1-3-7-19)22-8-4-5-18(15-22)16-25-14-13-24-17-25/h1-15,17H,16H2	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	5.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CYP19 in human placental microsomes				J Med Chem 50: 3420-2 (2007) Article DOI: 10.1021/jm0702938 BindingDB Entry DOI: 10.7270/Q2TD9X34
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10715 (3-({[3-(4-benzoylphenoxy)propyl](methyl)amino}meth...) Show SMILES CNC(=O)Oc1cccc(CN(C)CCCOc2ccc(cc2)C(=O)c2ccccc2)c1 Show InChI InChI=1S/C26H28N2O4/c1-27-26(30)32-24-11-6-8-20(18-24)19-28(2)16-7-17-31-23-14-12-22(13-15-23)25(29)21-9-4-3-5-10-21/h3-6,8-15,18H,7,16-17,19H2,1-2H3,(H,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	8.0	37
University of Bologna					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 44: 3810-20 (2001) Article DOI: 10.1021/jm010914b BindingDB Entry DOI: 10.7270/Q2MG7MR0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10712 (3-{[methyl({8-[(9-oxo-9H-xanthen-3-yl)oxy]octyl})a...) Show SMILES CNC(=O)Oc1cccc(CN(C)CCCCCCCCOc2ccc3c(c2)oc2ccccc2c3=O)c1 Show InChI InChI=1S/C31H36N2O5/c1-32-31(35)37-25-13-11-12-23(20-25)22-33(2)18-9-5-3-4-6-10-19-36-24-16-17-27-29(21-24)38-28-15-8-7-14-26(28)30(27)34/h7-8,11-17,20-21H,3-6,9-10,18-19,22H2,1-2H3,(H,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	8.0	37
University of Bologna					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 44: 3810-20 (2001) Article DOI: 10.1021/jm010914b BindingDB Entry DOI: 10.7270/Q2MG7MR0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10695 (3-{[methyl(3-{[(2Z)-2-(1-naphthylmethylene)-3-oxo-...) Show SMILES CNC(=O)Oc1cccc(CN(C)CCCOc2ccc3C(=O)C(Oc3c2)=Cc2cccc3ccccc23)c1 |w:27.29| Show InChI InChI=1S/C32H30N2O5/c1-33-32(36)38-26-12-5-8-22(18-26)21-34(2)16-7-17-37-25-14-15-28-29(20-25)39-30(31(28)35)19-24-11-6-10-23-9-3-4-13-27(23)24/h3-6,8-15,18-20H,7,16-17,21H2,1-2H3,(H,33,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.86	n/a	n/a	n/a	n/a	8.0	37
University of Bologna					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 48: 4444-56 (2005) Article DOI: 10.1021/jm049515h BindingDB Entry DOI: 10.7270/Q2R78CF8
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50216364 ((3-((1H-imidazol-1-yl)methyl)phenyl)(phenyl)methan...) Show SMILES O=C(c1ccccc1)c1cccc(Cn2ccnc2)c1 Show InChI InChI=1S/C17H14N2O/c20-17(15-6-2-1-3-7-15)16-8-4-5-14(11-16)12-19-10-9-18-13-19/h1-11,13H,12H2	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	7.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CYP19 in human placental microsomes				J Med Chem 50: 3420-2 (2007) Article DOI: 10.1021/jm0702938 BindingDB Entry DOI: 10.7270/Q2TD9X34
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM10722 (3-{[methyl({3-[(9-oxo-9H-xanthen-3-yl)oxy]propyl})...) Show SMILES CN(CCCOc1ccc2c(c1)oc1ccccc1c2=O)Cc1cccc(OC(=O)NCCCCCCN2CCOCC2)c1 Show InChI InChI=1S/C35H43N3O6/c1-37(17-9-21-42-28-14-15-31-33(25-28)44-32-13-5-4-12-30(32)34(31)39)26-27-10-8-11-29(24-27)43-35(40)36-16-6-2-3-7-18-38-19-22-41-23-20-38/h4-5,8,10-15,24-25H,2-3,6-7,9,16-23,26H2,1H3,(H,36,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
University of Bologna					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 44: 3810-20 (2001) Article DOI: 10.1021/jm010914b BindingDB Entry DOI: 10.7270/Q2MG7MR0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10702 (3-{[(7-{[(2Z)-2-[(3,4-dichlorophenyl)methylidene]-...) Show SMILES CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3C(=O)C(Oc3c2)=Cc2ccc(Cl)c(Cl)c2)c1 |w:31.33| Show InChI InChI=1S/C32H34Cl2N2O5/c1-35-32(38)40-25-10-8-9-23(17-25)21-36(2)15-6-4-3-5-7-16-39-24-12-13-26-29(20-24)41-30(31(26)37)19-22-11-14-27(33)28(34)18-22/h8-14,17-20H,3-7,15-16,21H2,1-2H3,(H,35,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	8.0	37
University of Bologna					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 48: 4444-56 (2005) Article DOI: 10.1021/jm049515h BindingDB Entry DOI: 10.7270/Q2R78CF8
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10705 (3-{[methyl(7-{[(3E)-4-oxo-3-(3,4,5-trimethoxybenzy...) Show SMILES CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3C(=O)C(COc3c2)=Cc2cc(OC)c(OC)c(OC)c2)c1 |w:32.34| Show InChI InChI=1S/C36H44N2O8/c1-37-36(40)46-29-13-11-12-25(19-29)23-38(2)16-9-7-6-8-10-17-44-28-14-15-30-31(22-28)45-24-27(34(30)39)18-26-20-32(41-3)35(43-5)33(21-26)42-4/h11-15,18-22H,6-10,16-17,23-24H2,1-5H3,(H,37,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.81	n/a	n/a	n/a	n/a	8.0	37
University of Bologna					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 48: 4444-56 (2005) Article DOI: 10.1021/jm049515h BindingDB Entry DOI: 10.7270/Q2R78CF8
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM8987 (6-chloro-1,2,3,4-tetrahydroacridin-9-amine | 6-chl...) Show SMILES Nc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C13H13ClN2/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h5-7H,1-4H2,(H2,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.90	n/a	n/a	n/a	n/a	8.0	37
University of Bologna					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The appearance of product was monitored at 412 nm for 5 min us...				J Med Chem 43: 2007-18 (2000) Article DOI: 10.1021/jm990971t BindingDB Entry DOI: 10.7270/Q2057D4R
					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))	BDBM10713 (3-{[methyl({9-[(9-oxo-9H-xanthen-3-yl)oxy]nonyl})a...) Show SMILES CNC(=O)Oc1cccc(CN(C)CCCCCCCCCOc2ccc3c(c2)oc2ccccc2c3=O)c1 Show InChI InChI=1S/C32H38N2O5/c1-33-32(36)38-26-14-12-13-24(21-26)23-34(2)19-10-6-4-3-5-7-11-20-37-25-17-18-28-30(22-25)39-29-16-9-8-15-27(29)31(28)35/h8-9,12-18,21-22H,3-7,10-11,19-20,23H2,1-2H3,(H,33,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11.7	n/a	n/a	n/a	n/a	8.0	37
University of Bologna					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 44: 3810-20 (2001) Article DOI: 10.1021/jm010914b BindingDB Entry DOI: 10.7270/Q2MG7MR0
					More data for this Ligand-Target Pair

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