Compile Data Set for Download or QSAR

Found 47 hits with Last Name = 'lizondo' and Initial = 'm'   

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 (Bos taurus (bovine))	BDBM50271142 (6-Chloro-9-[(3-{4-[(5,6-Dimethoxy-1-oxoindan-2-yl)...) Show SMILES COc1cc2CC(CC3CCN(CCCNc4c5CCCCc5nc5cc(Cl)ccc45)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C33H40ClN3O3/c1-39-30-18-22-17-23(33(38)27(22)20-31(30)40-2)16-21-10-14-37(15-11-21)13-5-12-35-32-25-6-3-4-7-28(25)36-29-19-24(34)8-9-26(29)32/h8-9,18-21,23H,3-7,10-17H2,1-2H3,(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC) Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte AChE by Ellman's assay				J Med Chem 51: 3588-98 (2008) Article DOI: 10.1021/jm8001313 BindingDB Entry DOI: 10.7270/Q2F76DGK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50271142 (6-Chloro-9-[(3-{4-[(5,6-Dimethoxy-1-oxoindan-2-yl)...) Show SMILES COc1cc2CC(CC3CCN(CCCNc4c5CCCCc5nc5cc(Cl)ccc45)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C33H40ClN3O3/c1-39-30-18-22-17-23(33(38)27(22)20-31(30)40-2)16-21-10-14-37(15-11-21)13-5-12-35-32-25-6-3-4-7-28(25)36-29-19-24(34)8-9-26(29)32/h8-9,18-21,23H,3-7,10-17H2,1-2H3,(H,35,36)	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	0.270	n/a	n/a	n/a	n/a	n/a	n/a
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC) Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE by Ellman's assay				J Med Chem 51: 3588-98 (2008) Article DOI: 10.1021/jm8001313 BindingDB Entry DOI: 10.7270/Q2F76DGK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50271140 (9-[(3-{4-[(5,6-Dimethoxy-1-oxoindan-2-yl)methyl]pi...) Show SMILES COc1cc2CC(CC3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C33H41N3O3/c1-38-30-20-23-19-24(33(37)27(23)21-31(30)39-2)18-22-12-16-36(17-13-22)15-7-14-34-32-25-8-3-5-10-28(25)35-29-11-6-4-9-26(29)32/h3,5,8,10,20-22,24H,4,6-7,9,11-19H2,1-2H3,(H,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	n/a
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC) Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte AChE by Ellman's assay				J Med Chem 51: 3588-98 (2008) Article DOI: 10.1021/jm8001313 BindingDB Entry DOI: 10.7270/Q2F76DGK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50271141 (6-Chloro-9-[(2-{4-[(5,6-dimethoxy-1-oxoindan-2-yl)...) Show SMILES COc1cc2CC(CC3CCN(CCNc4c5CCCCc5nc5cc(Cl)ccc45)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C32H38ClN3O3/c1-38-29-17-21-16-22(32(37)26(21)19-30(29)39-2)15-20-9-12-36(13-10-20)14-11-34-31-24-5-3-4-6-27(24)35-28-18-23(33)7-8-25(28)31/h7-8,17-20,22H,3-6,9-16H2,1-2H3,(H,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a	n/a
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC) Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte AChE by Ellman's assay				J Med Chem 51: 3588-98 (2008) Article DOI: 10.1021/jm8001313 BindingDB Entry DOI: 10.7270/Q2F76DGK
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM9063 (5,6-Dimethoxy-2-{[7-(1,2,3,4-tetrahydro-acridin-9-...) Show SMILES COc1cc2CC(CNCCCCCCCNc3c4CCCCc4nc4ccccc34)C(=O)c2cc1OC Show InChI InChI=1S/C32H41N3O3/c1-37-29-19-22-18-23(32(36)26(22)20-30(29)38-2)21-33-16-10-4-3-5-11-17-34-31-24-12-6-8-14-27(24)35-28-15-9-7-13-25(28)31/h6,8,12,14,19-20,23,33H,3-5,7,9-11,13,15-18,21H2,1-2H3,(H,34,35)	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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC) Curated by ChEMBL					Assay Description Inhibition of human serum BChE by Ellman's assay				J Med Chem 51: 3588-98 (2008) Article DOI: 10.1021/jm8001313 BindingDB Entry DOI: 10.7270/Q2F76DGK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50271141 (6-Chloro-9-[(2-{4-[(5,6-dimethoxy-1-oxoindan-2-yl)...) Show SMILES COc1cc2CC(CC3CCN(CCNc4c5CCCCc5nc5cc(Cl)ccc45)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C32H38ClN3O3/c1-38-29-17-21-16-22(32(37)26(21)19-30(29)39-2)15-20-9-12-36(13-10-20)14-11-34-31-24-5-3-4-6-27(24)35-28-18-23(33)7-8-25(28)31/h7-8,17-20,22H,3-6,9-16H2,1-2H3,(H,34,35)	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	0.670	n/a	n/a	n/a	n/a	n/a	n/a
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC) Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE by Ellman's assay				J Med Chem 51: 3588-98 (2008) Article DOI: 10.1021/jm8001313 BindingDB Entry DOI: 10.7270/Q2F76DGK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50271190 (9-[(3-{4-[(5,6-dimethoxyindan-2-yl)methyl]piperidi...) Show SMILES COc1cc2CC(CC3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)Cc2cc1OC Show InChI InChI=1S/C33H43N3O2/c1-37-31-21-25-19-24(20-26(25)22-32(31)38-2)18-23-12-16-36(17-13-23)15-7-14-34-33-27-8-3-5-10-29(27)35-30-11-6-4-9-28(30)33/h3,5,8,10,21-24H,4,6-7,9,11-20H2,1-2H3,(H,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.820	n/a	n/a	n/a	n/a	n/a	n/a
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC) Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte AChE by Ellman's assay				J Med Chem 51: 3588-98 (2008) Article DOI: 10.1021/jm8001313 BindingDB Entry DOI: 10.7270/Q2F76DGK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50271192 (6-Chloro-9-[(3-{4-[(5,6-dimethoxyindan-2-yl)methyl...) Show SMILES COc1cc2CC(CC3CCN(CCCNc4c5CCCCc5nc5cc(Cl)ccc45)CC3)Cc2cc1OC Show InChI InChI=1S/C33H42ClN3O2/c1-38-31-19-24-17-23(18-25(24)20-32(31)39-2)16-22-10-14-37(15-11-22)13-5-12-35-33-27-6-3-4-7-29(27)36-30-21-26(34)8-9-28(30)33/h8-9,19-23H,3-7,10-18H2,1-2H3,(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.820	n/a	n/a	n/a	n/a	n/a	n/a
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC) Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte AChE by Ellman's assay				J Med Chem 51: 3588-98 (2008) Article DOI: 10.1021/jm8001313 BindingDB Entry DOI: 10.7270/Q2F76DGK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50271140 (9-[(3-{4-[(5,6-Dimethoxy-1-oxoindan-2-yl)methyl]pi...) Show SMILES COc1cc2CC(CC3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C33H41N3O3/c1-38-30-20-23-19-24(33(37)27(23)21-31(30)39-2)18-22-12-16-36(17-13-22)15-7-14-34-32-25-8-3-5-10-28(25)35-29-11-6-4-9-26(29)32/h3,5,8,10,20-22,24H,4,6-7,9,11-19H2,1-2H3,(H,34,35)	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	0.880	n/a	n/a	n/a	n/a	n/a	n/a
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC) Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE by Ellman's assay				J Med Chem 51: 3588-98 (2008) Article DOI: 10.1021/jm8001313 BindingDB Entry DOI: 10.7270/Q2F76DGK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50271192 (6-Chloro-9-[(3-{4-[(5,6-dimethoxyindan-2-yl)methyl...) Show SMILES COc1cc2CC(CC3CCN(CCCNc4c5CCCCc5nc5cc(Cl)ccc45)CC3)Cc2cc1OC Show InChI InChI=1S/C33H42ClN3O2/c1-38-31-19-24-17-23(18-25(24)20-32(31)39-2)16-22-10-14-37(15-11-22)13-5-12-35-33-27-6-3-4-7-29(27)36-30-21-26(34)8-9-28(30)33/h8-9,19-23H,3-7,10-18H2,1-2H3,(H,35,36)	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	1.06	n/a	n/a	n/a	n/a	n/a	n/a
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC) Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE by Ellman's assay				J Med Chem 51: 3588-98 (2008) Article DOI: 10.1021/jm8001313 BindingDB Entry DOI: 10.7270/Q2F76DGK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50377921 (SODIUM NITROPRUSSIDE) Show SMILES O=N[Fe--](C#N)(C#N)(C#N)(C#N)C#N Show InChI InChI=1S/5CN.Fe.NO/c5*1-2;;1-2/q;;;;;2*-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.74	n/a	n/a	n/a	n/a	n/a	n/a
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC) Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte AChE by Ellman's assay				J Med Chem 51: 3588-98 (2008) Article DOI: 10.1021/jm8001313 BindingDB Entry DOI: 10.7270/Q2F76DGK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50271191 (6-Chloro-9-[(2-{4-[(5,6-dimethoxyindan-2-yl)methyl...) Show SMILES COc1cc2CC(CC3CCN(CCNc4c5CCCCc5nc5cc(Cl)ccc45)CC3)Cc2cc1OC Show InChI InChI=1S/C32H40ClN3O2/c1-37-30-18-23-16-22(17-24(23)19-31(30)38-2)15-21-9-12-36(13-10-21)14-11-34-32-26-5-3-4-6-28(26)35-29-20-25(33)7-8-27(29)32/h7-8,18-22H,3-6,9-17H2,1-2H3,(H,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.86	n/a	n/a	n/a	n/a	n/a	n/a
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC) Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte AChE by Ellman's assay				J Med Chem 51: 3588-98 (2008) Article DOI: 10.1021/jm8001313 BindingDB Entry DOI: 10.7270/Q2F76DGK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50271190 (9-[(3-{4-[(5,6-dimethoxyindan-2-yl)methyl]piperidi...) Show SMILES COc1cc2CC(CC3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)Cc2cc1OC Show InChI InChI=1S/C33H43N3O2/c1-37-31-21-25-19-24(20-26(25)22-32(31)38-2)18-23-12-16-36(17-13-23)15-7-14-34-33-27-8-3-5-10-29(27)35-30-11-6-4-9-28(30)33/h3,5,8,10,21-24H,4,6-7,9,11-20H2,1-2H3,(H,34,35)	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	2.16	n/a	n/a	n/a	n/a	n/a	n/a
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC) Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE by Ellman's assay				J Med Chem 51: 3588-98 (2008) Article DOI: 10.1021/jm8001313 BindingDB Entry DOI: 10.7270/Q2F76DGK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50271189 (9-[(2-{4-[(5,6-Dimethoxyindan-2-yl)methyl]piperidi...) Show SMILES COc1cc2CC(CC3CCN(CCNc4c5CCCCc5nc5ccccc45)CC3)Cc2cc1OC Show InChI InChI=1S/C32H41N3O2/c1-36-30-20-24-18-23(19-25(24)21-31(30)37-2)17-22-11-14-35(15-12-22)16-13-33-32-26-7-3-5-9-28(26)34-29-10-6-4-8-27(29)32/h3,5,7,9,20-23H,4,6,8,10-19H2,1-2H3,(H,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.28	n/a	n/a	n/a	n/a	n/a	n/a
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC) Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte AChE by Ellman's assay				J Med Chem 51: 3588-98 (2008) Article DOI: 10.1021/jm8001313 BindingDB Entry DOI: 10.7270/Q2F76DGK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50271191 (6-Chloro-9-[(2-{4-[(5,6-dimethoxyindan-2-yl)methyl...) Show SMILES COc1cc2CC(CC3CCN(CCNc4c5CCCCc5nc5cc(Cl)ccc45)CC3)Cc2cc1OC Show InChI InChI=1S/C32H40ClN3O2/c1-37-30-18-23-16-22(17-24(23)19-31(30)38-2)15-21-9-12-36(13-10-21)14-11-34-32-26-5-3-4-6-28(26)35-29-20-25(33)7-8-27(29)32/h7-8,18-22H,3-6,9-17H2,1-2H3,(H,34,35)	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	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC) Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE by Ellman's assay				J Med Chem 51: 3588-98 (2008) Article DOI: 10.1021/jm8001313 BindingDB Entry DOI: 10.7270/Q2F76DGK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50377921 (SODIUM NITROPRUSSIDE) Show SMILES O=N[Fe--](C#N)(C#N)(C#N)(C#N)C#N Show InChI InChI=1S/5CN.Fe.NO/c5*1-2;;1-2/q;;;;;2*-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.04	n/a	n/a	n/a	n/a	n/a	n/a
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC) Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE by Ellman's assay				J Med Chem 51: 3588-98 (2008) Article DOI: 10.1021/jm8001313 BindingDB Entry DOI: 10.7270/Q2F76DGK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50271189 (9-[(2-{4-[(5,6-Dimethoxyindan-2-yl)methyl]piperidi...) Show SMILES COc1cc2CC(CC3CCN(CCNc4c5CCCCc5nc5ccccc45)CC3)Cc2cc1OC Show InChI InChI=1S/C32H41N3O2/c1-36-30-20-24-18-23(19-25(24)21-31(30)37-2)17-22-11-14-35(15-12-22)16-13-33-32-26-7-3-5-9-28(26)34-29-10-6-4-8-27(29)32/h3,5,7,9,20-23H,4,6,8,10-19H2,1-2H3,(H,33,34)	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	5.13	n/a	n/a	n/a	n/a	n/a	n/a
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC) Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE by Ellman's assay				J Med Chem 51: 3588-98 (2008) Article DOI: 10.1021/jm8001313 BindingDB Entry DOI: 10.7270/Q2F76DGK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC) Curated by ChEMBL					Assay Description Inhibition of rat cortex AChE				J Med Chem 51: 3588-98 (2008) Article DOI: 10.1021/jm8001313 BindingDB Entry DOI: 10.7270/Q2F76DGK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Bos taurus (bovine))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.73	n/a	n/a	n/a	n/a	n/a	n/a
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC) Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte AChE by Ellman's assay				J Med Chem 51: 3588-98 (2008) Article DOI: 10.1021/jm8001313 BindingDB Entry DOI: 10.7270/Q2F76DGK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM8979 (CHEMBL486901 | N-[2-(1-benzylpiperidin-4-yl)ethyl]...) Show SMILES O=C(CNc1c2CCCCc2nc2ccccc12)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C29H36N4O/c34-28(30-17-14-22-15-18-33(19-16-22)21-23-8-2-1-3-9-23)20-31-29-24-10-4-6-12-26(24)32-27-13-7-5-11-25(27)29/h1-4,6,8-10,12,22H,5,7,11,13-21H2,(H,30,34)(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC) Curated by ChEMBL					Assay Description Inhibition of rat cortex AChE				J Med Chem 51: 3588-98 (2008) Article DOI: 10.1021/jm8001313 BindingDB Entry DOI: 10.7270/Q2F76DGK
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50271190 (9-[(3-{4-[(5,6-dimethoxyindan-2-yl)methyl]piperidi...) Show SMILES COc1cc2CC(CC3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)Cc2cc1OC Show InChI InChI=1S/C33H43N3O2/c1-37-31-21-25-19-24(20-26(25)22-32(31)38-2)18-23-12-16-36(17-13-23)15-7-14-34-33-27-8-3-5-10-29(27)35-30-11-6-4-9-28(30)33/h3,5,8,10,21-24H,4,6-7,9,11-20H2,1-2H3,(H,34,35)	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	7.25	n/a	n/a	n/a	n/a	n/a	n/a
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC) Curated by ChEMBL					Assay Description Inhibition of human serum BChE by Ellman's assay				J Med Chem 51: 3588-98 (2008) Article DOI: 10.1021/jm8001313 BindingDB Entry DOI: 10.7270/Q2F76DGK
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50271189 (9-[(2-{4-[(5,6-Dimethoxyindan-2-yl)methyl]piperidi...) Show SMILES COc1cc2CC(CC3CCN(CCNc4c5CCCCc5nc5ccccc45)CC3)Cc2cc1OC Show InChI InChI=1S/C32H41N3O2/c1-36-30-20-24-18-23(19-25(24)21-31(30)37-2)17-22-11-14-35(15-12-22)16-13-33-32-26-7-3-5-9-28(26)34-29-10-6-4-8-27(29)32/h3,5,7,9,20-23H,4,6,8,10-19H2,1-2H3,(H,33,34)	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	8.06	n/a	n/a	n/a	n/a	n/a	n/a
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC) Curated by ChEMBL					Assay Description Inhibition of human serum BChE by Ellman's assay				J Med Chem 51: 3588-98 (2008) Article DOI: 10.1021/jm8001313 BindingDB Entry DOI: 10.7270/Q2F76DGK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	8.12	n/a	n/a	n/a	n/a	n/a	n/a
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC) Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte AChE by Ellman's assay				J Med Chem 51: 3588-98 (2008) Article DOI: 10.1021/jm8001313 BindingDB Entry DOI: 10.7270/Q2F76DGK
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	8.32	n/a	n/a	n/a	n/a	n/a	n/a
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC) Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE by Ellman's assay				J Med Chem 51: 3588-98 (2008) Article DOI: 10.1021/jm8001313 BindingDB Entry DOI: 10.7270/Q2F76DGK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	11.6	n/a	n/a	n/a	n/a	n/a	n/a
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC) Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE by Ellman's assay				J Med Chem 51: 3588-98 (2008) Article DOI: 10.1021/jm8001313 BindingDB Entry DOI: 10.7270/Q2F76DGK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholinesterase (Homo sapiens (Human))	BDBM50271140 (9-[(3-{4-[(5,6-Dimethoxy-1-oxoindan-2-yl)methyl]pi...) Show SMILES COc1cc2CC(CC3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C33H41N3O3/c1-38-30-20-23-19-24(33(37)27(23)21-31(30)39-2)18-22-12-16-36(17-13-22)15-7-14-34-32-25-8-3-5-10-28(25)35-29-11-6-4-9-26(29)32/h3,5,8,10,20-22,24H,4,6-7,9,11-19H2,1-2H3,(H,34,35)	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	12.3	n/a	n/a	n/a	n/a	n/a	n/a
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC) Curated by ChEMBL					Assay Description Inhibition of human serum BChE by Ellman's assay				J Med Chem 51: 3588-98 (2008) Article DOI: 10.1021/jm8001313 BindingDB Entry DOI: 10.7270/Q2F76DGK
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50377921 (SODIUM NITROPRUSSIDE) Show SMILES O=N[Fe--](C#N)(C#N)(C#N)(C#N)C#N Show InChI InChI=1S/5CN.Fe.NO/c5*1-2;;1-2/q;;;;;2*-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	12.4	n/a	n/a	n/a	n/a	n/a	n/a
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC) Curated by ChEMBL					Assay Description Inhibition of human serum BChE by Ellman's assay				J Med Chem 51: 3588-98 (2008) Article DOI: 10.1021/jm8001313 BindingDB Entry DOI: 10.7270/Q2F76DGK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC) Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte AChE by Ellman's assay				J Med Chem 51: 3588-98 (2008) Article DOI: 10.1021/jm8001313 BindingDB Entry DOI: 10.7270/Q2F76DGK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholinesterase (Homo sapiens (Human))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC) Curated by ChEMBL					Assay Description Inhibition of human serum BChE by Ellman's assay				J Med Chem 51: 3588-98 (2008) Article DOI: 10.1021/jm8001313 BindingDB Entry DOI: 10.7270/Q2F76DGK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Bos taurus (bovine))	BDBM9063 (5,6-Dimethoxy-2-{[7-(1,2,3,4-tetrahydro-acridin-9-...) Show SMILES COc1cc2CC(CNCCCCCCCNc3c4CCCCc4nc4ccccc34)C(=O)c2cc1OC Show InChI InChI=1S/C32H41N3O3/c1-37-29-19-22-18-23(32(36)26(22)20-30(29)38-2)21-33-16-10-4-3-5-11-17-34-31-24-12-6-8-14-27(24)35-28-15-9-7-13-25(28)31/h6,8,12,14,19-20,23,33H,3-5,7,9-11,13,15-18,21H2,1-2H3,(H,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC) Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte AChE by Ellman's assay				J Med Chem 51: 3588-98 (2008) Article DOI: 10.1021/jm8001313 BindingDB Entry DOI: 10.7270/Q2F76DGK
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	43.9	n/a	n/a	n/a	n/a	n/a	n/a
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC) Curated by ChEMBL					Assay Description Inhibition of human serum BChE by Ellman's assay				J Med Chem 51: 3588-98 (2008) Article DOI: 10.1021/jm8001313 BindingDB Entry DOI: 10.7270/Q2F76DGK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholinesterase (Homo sapiens (Human))	BDBM50271142 (6-Chloro-9-[(3-{4-[(5,6-Dimethoxy-1-oxoindan-2-yl)...) Show SMILES COc1cc2CC(CC3CCN(CCCNc4c5CCCCc5nc5cc(Cl)ccc45)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C33H40ClN3O3/c1-39-30-18-22-17-23(33(38)27(22)20-31(30)40-2)16-21-10-14-37(15-11-21)13-5-12-35-32-25-6-3-4-7-28(25)36-29-19-24(34)8-9-26(29)32/h8-9,18-21,23H,3-7,10-17H2,1-2H3,(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	66.3	n/a	n/a	n/a	n/a	n/a	n/a
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC) Curated by ChEMBL					Assay Description Inhibition of human serum BChE by Ellman's assay				J Med Chem 51: 3588-98 (2008) Article DOI: 10.1021/jm8001313 BindingDB Entry DOI: 10.7270/Q2F76DGK
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50271192 (6-Chloro-9-[(3-{4-[(5,6-dimethoxyindan-2-yl)methyl...) Show SMILES COc1cc2CC(CC3CCN(CCCNc4c5CCCCc5nc5cc(Cl)ccc45)CC3)Cc2cc1OC Show InChI InChI=1S/C33H42ClN3O2/c1-38-31-19-24-17-23(18-25(24)20-32(31)39-2)16-22-10-14-37(15-11-22)13-5-12-35-33-27-6-3-4-7-29(27)36-30-21-26(34)8-9-28(30)33/h8-9,19-23H,3-7,10-18H2,1-2H3,(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	72.7	n/a	n/a	n/a	n/a	n/a	n/a
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC) Curated by ChEMBL					Assay Description Inhibition of human serum BChE by Ellman's assay				J Med Chem 51: 3588-98 (2008) Article DOI: 10.1021/jm8001313 BindingDB Entry DOI: 10.7270/Q2F76DGK
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Rattus norvegicus (rat))	BDBM8979 (CHEMBL486901 | N-[2-(1-benzylpiperidin-4-yl)ethyl]...) Show SMILES O=C(CNc1c2CCCCc2nc2ccccc12)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C29H36N4O/c34-28(30-17-14-22-15-18-33(19-16-22)21-23-8-2-1-3-9-23)20-31-29-24-10-4-6-12-26(24)32-27-13-7-5-11-25(27)29/h1-4,6,8-10,12,22H,5,7,11,13-21H2,(H,30,34)(H,31,32)	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC) Curated by ChEMBL					Assay Description Inhibition of rat serum BChE				J Med Chem 51: 3588-98 (2008) Article DOI: 10.1021/jm8001313 BindingDB Entry DOI: 10.7270/Q2F76DGK
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50271191 (6-Chloro-9-[(2-{4-[(5,6-dimethoxyindan-2-yl)methyl...) Show SMILES COc1cc2CC(CC3CCN(CCNc4c5CCCCc5nc5cc(Cl)ccc45)CC3)Cc2cc1OC Show InChI InChI=1S/C32H40ClN3O2/c1-37-30-18-23-16-22(17-24(23)19-31(30)38-2)15-21-9-12-36(13-10-21)14-11-34-32-26-5-3-4-6-28(26)35-29-20-25(33)7-8-27(29)32/h7-8,18-22H,3-6,9-17H2,1-2H3,(H,34,35)	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	88.7	n/a	n/a	n/a	n/a	n/a	n/a
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC) Curated by ChEMBL					Assay Description Inhibition of human serum BChE by Ellman's assay				J Med Chem 51: 3588-98 (2008) Article DOI: 10.1021/jm8001313 BindingDB Entry DOI: 10.7270/Q2F76DGK
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Rattus norvegicus (rat))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC) Curated by ChEMBL					Assay Description Inhibition of rat serum BChE				J Med Chem 51: 3588-98 (2008) Article DOI: 10.1021/jm8001313 BindingDB Entry DOI: 10.7270/Q2F76DGK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC) Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte AChE by Ellman's assay				J Med Chem 51: 3588-98 (2008) Article DOI: 10.1021/jm8001313 BindingDB Entry DOI: 10.7270/Q2F76DGK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholinesterase (Homo sapiens (Human))	BDBM50271141 (6-Chloro-9-[(2-{4-[(5,6-dimethoxy-1-oxoindan-2-yl)...) Show SMILES COc1cc2CC(CC3CCN(CCNc4c5CCCCc5nc5cc(Cl)ccc45)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C32H38ClN3O3/c1-38-29-17-21-16-22(32(37)26(21)19-30(29)39-2)15-20-9-12-36(13-10-20)14-11-34-31-24-5-3-4-6-27(24)35-28-18-23(33)7-8-25(28)31/h7-8,17-20,22H,3-6,9-16H2,1-2H3,(H,34,35)	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	136	n/a	n/a	n/a	n/a	n/a	n/a
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC) Curated by ChEMBL					Assay Description Inhibition of human serum BChE by Ellman's assay				J Med Chem 51: 3588-98 (2008) Article DOI: 10.1021/jm8001313 BindingDB Entry DOI: 10.7270/Q2F76DGK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	167	n/a	n/a	n/a	n/a	n/a	n/a
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC) Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte AChE by Ellman's assay				J Med Chem 51: 3588-98 (2008) Article DOI: 10.1021/jm8001313 BindingDB Entry DOI: 10.7270/Q2F76DGK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholinesterase (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 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	196	n/a	n/a	n/a	n/a	n/a	n/a
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC) Curated by ChEMBL					Assay Description Inhibition of human serum BChE by Ellman's assay				J Med Chem 51: 3588-98 (2008) Article DOI: 10.1021/jm8001313 BindingDB Entry DOI: 10.7270/Q2F76DGK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	205	n/a	n/a	n/a	n/a	n/a	n/a
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC) Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE by Ellman's assay				J Med Chem 51: 3588-98 (2008) Article DOI: 10.1021/jm8001313 BindingDB Entry DOI: 10.7270/Q2F76DGK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	223	n/a	n/a	n/a	n/a	n/a	n/a
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC) Curated by ChEMBL					Assay Description Inhibition of rat cortex AChE				J Med Chem 51: 3588-98 (2008) Article DOI: 10.1021/jm8001313 BindingDB Entry DOI: 10.7270/Q2F76DGK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholinesterase (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	n/a
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC) Curated by ChEMBL					Assay Description Inhibition of human serum BChE by Ellman's assay				J Med Chem 51: 3588-98 (2008) Article DOI: 10.1021/jm8001313 BindingDB Entry DOI: 10.7270/Q2F76DGK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50271226 (2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxyin...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)Cc2cc1OC Show InChI InChI=1S/C24H31NO2/c1-26-23-15-21-13-20(14-22(21)16-24(23)27-2)12-18-8-10-25(11-9-18)17-19-6-4-3-5-7-19/h3-7,15-16,18,20H,8-14,17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC) Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte AChE by Ellman's assay				J Med Chem 51: 3588-98 (2008) Article DOI: 10.1021/jm8001313 BindingDB Entry DOI: 10.7270/Q2F76DGK
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50271226 (2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxyin...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)Cc2cc1OC Show InChI InChI=1S/C24H31NO2/c1-26-23-15-21-13-20(14-22(21)16-24(23)27-2)12-18-8-10-25(11-9-18)17-19-6-4-3-5-7-19/h3-7,15-16,18,20H,8-14,17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC) Curated by ChEMBL					Assay Description Inhibition of human serum BChE by Ellman's assay				J Med Chem 51: 3588-98 (2008) Article DOI: 10.1021/jm8001313 BindingDB Entry DOI: 10.7270/Q2F76DGK
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Rattus norvegicus (rat))	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	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC) Curated by ChEMBL					Assay Description Inhibition of rat serum BChE				J Med Chem 51: 3588-98 (2008) Article DOI: 10.1021/jm8001313 BindingDB Entry DOI: 10.7270/Q2F76DGK
					More data for this Ligand-Target Pair
Cholinesterase (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC) Curated by ChEMBL					Assay Description Inhibition of human serum BChE by Ellman's assay				J Med Chem 51: 3588-98 (2008) Article DOI: 10.1021/jm8001313 BindingDB Entry DOI: 10.7270/Q2F76DGK
					More data for this Ligand-Target Pair