Compile Data Set for Download or QSAR

Found 86 hits with Last Name = 'lavilla' and Initial = 'r'   

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))	BDBM50049862 (CHEMBL3322232) Show SMILES Cl.Clc1ccc(cc1)-c1nc2ccc(cc2c2NCCCc12)C(=O)NCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C35H33Cl2N5O/c36-23-11-8-21(9-12-23)32-27-6-3-16-38-34(27)28-19-22(10-15-30(28)42-32)35(43)40-18-4-17-39-33-25-5-1-2-7-29(25)41-31-20-24(37)13-14-26(31)33/h8-15,19-20,38H,1-7,16-18H2,(H,39,41)(H,40,43)	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	0.00600	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate by spectrophotometric analysis				Eur J Med Chem 84: 107-17 (2014) Article DOI: 10.1016/j.ejmech.2014.07.021 BindingDB Entry DOI: 10.7270/Q2571DNF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50049859 (CHEMBL3322231) Show SMILES Cl.Clc1ccc(cc1)-c1nc2ccc(cc2c2NCCCc12)C(=O)NCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C40H43Cl2N5O/c41-28-16-13-26(14-17-28)37-32-11-9-23-44-39(32)33-24-27(15-20-35(33)47-37)40(48)45-22-8-4-2-1-3-7-21-43-38-30-10-5-6-12-34(30)46-36-25-29(42)18-19-31(36)38/h13-20,24-25,44H,1-12,21-23H2,(H,43,46)(H,45,48)	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	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate by spectrophotometric analysis				Eur J Med Chem 84: 107-17 (2014) Article DOI: 10.1016/j.ejmech.2014.07.021 BindingDB Entry DOI: 10.7270/Q2571DNF
					More data for this Ligand-Target Pair
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	8.0	25
Universitat de Barcelona					Assay Description AChE inhibitory activity was evaluated spectrophotometrically by the method of Ellman, using AChE from bovine or human erythrocytes and acetylthiocho...				J Med Chem 52: 5365-79 (2009) Article DOI: 10.1021/jm900859q BindingDB Entry DOI: 10.7270/Q2707ZSB
					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	5.90	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate by spectrophotometric analysis				Eur J Med Chem 84: 107-17 (2014) Article DOI: 10.1016/j.ejmech.2014.07.021 BindingDB Entry DOI: 10.7270/Q2571DNF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM31895 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 20....) Show SMILES Clc1ccc(cc1)-c1nc2ccc(cc2c2OCCCc12)C(=O)NCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C40H42Cl2N4O2/c41-28-16-13-26(14-17-28)37-32-11-9-23-48-39(32)33-24-27(15-20-35(33)46-37)40(47)44-22-8-4-2-1-3-7-21-43-38-30-10-5-6-12-34(30)45-36-25-29(42)18-19-31(36)38/h13-20,24-25H,1-12,21-23H2,(H,43,45)(H,44,47)	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	7.03	n/a	n/a	n/a	n/a	8.0	25
Universitat de Barcelona					Assay Description AChE inhibitory activity was evaluated spectrophotometrically by the method of Ellman, using AChE from bovine or human erythrocytes and acetylthiocho...				J Med Chem 52: 5365-79 (2009) Article DOI: 10.1021/jm900859q BindingDB Entry DOI: 10.7270/Q2707ZSB
					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	8.32	n/a	n/a	n/a	n/a	8.0	25
Universitat de Barcelona					Assay Description AChE inhibitory activity was evaluated spectrophotometrically by the method of Ellman, using AChE from bovine or human erythrocytes and acetylthiocho...				J Med Chem 52: 5365-79 (2009) Article DOI: 10.1021/jm900859q BindingDB Entry DOI: 10.7270/Q2707ZSB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM31899 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 24....) Show SMILES Clc1ccc2c(NCCCCCNC(=O)CCc3ccc4nc(-c5ccccc5)c5CCCOc5c4c3)c3CCCCc3nc2c1 Show InChI InChI=1S/C39H41ClN4O2/c40-28-17-18-30-35(25-28)43-33-14-6-5-12-29(33)38(30)42-22-8-2-7-21-41-36(45)20-16-26-15-19-34-32(24-26)39-31(13-9-23-46-39)37(44-34)27-10-3-1-4-11-27/h1,3-4,10-11,15,17-19,24-25H,2,5-9,12-14,16,20-23H2,(H,41,45)(H,42,43)	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	9.64	n/a	n/a	n/a	n/a	8.0	25
Universitat de Barcelona					Assay Description AChE inhibitory activity was evaluated spectrophotometrically by the method of Ellman, using AChE from bovine or human erythrocytes and acetylthiocho...				J Med Chem 52: 5365-79 (2009) Article DOI: 10.1021/jm900859q BindingDB Entry DOI: 10.7270/Q2707ZSB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM31894 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 19....) Show SMILES Clc1ccc(cc1)-c1nc2ccc(cc2c2OCCCc12)C(=O)NCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C39H40Cl2N4O2/c40-27-15-12-25(13-16-27)36-31-10-8-22-47-38(31)32-23-26(14-19-34(32)45-36)39(46)43-21-7-3-1-2-6-20-42-37-29-9-4-5-11-33(29)44-35-24-28(41)17-18-30(35)37/h12-19,23-24H,1-11,20-22H2,(H,42,44)(H,43,46)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10.3	n/a	n/a	n/a	n/a	8.0	25
Universitat de Barcelona					Assay Description AChE inhibitory activity was evaluated spectrophotometrically by the method of Ellman, using AChE from bovine or human erythrocytes and acetylthiocho...				J Med Chem 52: 5365-79 (2009) Article DOI: 10.1021/jm900859q BindingDB Entry DOI: 10.7270/Q2707ZSB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM31895 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 20....) Show SMILES Clc1ccc(cc1)-c1nc2ccc(cc2c2OCCCc12)C(=O)NCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C40H42Cl2N4O2/c41-28-16-13-26(14-17-28)37-32-11-9-23-48-39(32)33-24-27(15-20-35(33)46-37)40(47)44-22-8-4-2-1-3-7-21-43-38-30-10-5-6-12-34(30)45-36-25-29(42)18-19-31(36)38/h13-20,24-25H,1-12,21-23H2,(H,43,45)(H,44,47)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10.4	n/a	n/a	n/a	n/a	8.0	25
Universitat de Barcelona					Assay Description AChE inhibitory activity was evaluated spectrophotometrically by the method of Ellman, using AChE from bovine or human erythrocytes and acetylthiocho...				J Med Chem 52: 5365-79 (2009) Article DOI: 10.1021/jm900859q BindingDB Entry DOI: 10.7270/Q2707ZSB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM31900 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 25....) Show SMILES Clc1ccc2c(NCCCCCCNC(=O)CCc3ccc4nc(-c5ccccc5)c5CCCOc5c4c3)c3CCCCc3nc2c1 Show InChI InChI=1S/C40H43ClN4O2/c41-29-18-19-31-36(26-29)44-34-15-7-6-13-30(34)39(31)43-23-9-2-1-8-22-42-37(46)21-17-27-16-20-35-33(25-27)40-32(14-10-24-47-40)38(45-35)28-11-4-3-5-12-28/h3-5,11-12,16,18-20,25-26H,1-2,6-10,13-15,17,21-24H2,(H,42,46)(H,43,44)	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	11.1	n/a	n/a	n/a	n/a	8.0	25
Universitat de Barcelona					Assay Description AChE inhibitory activity was evaluated spectrophotometrically by the method of Ellman, using AChE from bovine or human erythrocytes and acetylthiocho...				J Med Chem 52: 5365-79 (2009) Article DOI: 10.1021/jm900859q BindingDB Entry DOI: 10.7270/Q2707ZSB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM31902 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 27....) Show SMILES Clc1ccc2c(NCCCCCCCCNC(=O)CCc3ccc4nc(-c5ccccc5)c5CCCOc5c4c3)c3CCCCc3nc2c1 Show InChI InChI=1S/C42H47ClN4O2/c43-31-20-21-33-38(28-31)46-36-17-9-8-15-32(36)41(33)45-25-11-4-2-1-3-10-24-44-39(48)23-19-29-18-22-37-35(27-29)42-34(16-12-26-49-42)40(47-37)30-13-6-5-7-14-30/h5-7,13-14,18,20-22,27-28H,1-4,8-12,15-17,19,23-26H2,(H,44,48)(H,45,46)	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	14	n/a	n/a	n/a	n/a	8.0	25
Universitat de Barcelona					Assay Description AChE inhibitory activity was evaluated spectrophotometrically by the method of Ellman, using AChE from bovine or human erythrocytes and acetylthiocho...				J Med Chem 52: 5365-79 (2009) Article DOI: 10.1021/jm900859q BindingDB Entry DOI: 10.7270/Q2707ZSB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50049860 (CHEMBL3322234) Show SMILES Cl.Clc1ccc(cc1)-c1nc2ccc(cc2c2NCCCc12)C(=O)NCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C37H37Cl2N5O/c38-25-13-10-23(11-14-25)34-29-8-6-20-41-36(29)30-21-24(12-17-32(30)44-34)37(45)42-19-5-1-4-18-40-35-27-7-2-3-9-31(27)43-33-22-26(39)15-16-28(33)35/h10-17,21-22,41H,1-9,18-20H2,(H,40,43)(H,42,45)	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	14	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate by spectrophotometric analysis				Eur J Med Chem 84: 107-17 (2014) Article DOI: 10.1016/j.ejmech.2014.07.021 BindingDB Entry DOI: 10.7270/Q2571DNF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50049861 (CHEMBL3322233) Show SMILES Cl.Clc1ccc(cc1)-c1nc2ccc(cc2c2NCCCc12)C(=O)NCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C36H35Cl2N5O/c37-24-12-9-22(10-13-24)33-28-7-5-19-40-35(28)29-20-23(11-16-31(29)43-33)36(44)41-18-4-3-17-39-34-26-6-1-2-8-30(26)42-32-21-25(38)14-15-27(32)34/h9-16,20-21,40H,1-8,17-19H2,(H,39,42)(H,41,44)	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	14	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate by spectrophotometric analysis				Eur J Med Chem 84: 107-17 (2014) Article DOI: 10.1016/j.ejmech.2014.07.021 BindingDB Entry DOI: 10.7270/Q2571DNF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM31901 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 26....) Show SMILES Clc1ccc2c(NCCCCCCCNC(=O)CCc3ccc4nc(-c5ccccc5)c5CCCOc5c4c3)c3CCCCc3nc2c1 Show InChI InChI=1S/C41H45ClN4O2/c42-30-19-20-32-37(27-30)45-35-16-8-7-14-31(35)40(32)44-24-10-3-1-2-9-23-43-38(47)22-18-28-17-21-36-34(26-28)41-33(15-11-25-48-41)39(46-36)29-12-5-4-6-13-29/h4-6,12-13,17,19-21,26-27H,1-3,7-11,14-16,18,22-25H2,(H,43,47)(H,44,45)	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	14.4	n/a	n/a	n/a	n/a	8.0	25
Universitat de Barcelona					Assay Description AChE inhibitory activity was evaluated spectrophotometrically by the method of Ellman, using AChE from bovine or human erythrocytes and acetylthiocho...				J Med Chem 52: 5365-79 (2009) Article DOI: 10.1021/jm900859q BindingDB Entry DOI: 10.7270/Q2707ZSB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM31898 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 23....) Show SMILES Clc1ccc2c(NCCCCNC(=O)CCc3ccc4nc(-c5ccccc5)c5CCCOc5c4c3)c3CCCCc3nc2c1 Show InChI InChI=1S/C38H39ClN4O2/c39-27-16-17-29-34(24-27)42-32-13-5-4-11-28(32)37(29)41-21-7-6-20-40-35(44)19-15-25-14-18-33-31(23-25)38-30(12-8-22-45-38)36(43-33)26-9-2-1-3-10-26/h1-3,9-10,14,16-18,23-24H,4-8,11-13,15,19-22H2,(H,40,44)(H,41,42)	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	16.6	n/a	n/a	n/a	n/a	8.0	25
Universitat de Barcelona					Assay Description AChE inhibitory activity was evaluated spectrophotometrically by the method of Ellman, using AChE from bovine or human erythrocytes and acetylthiocho...				J Med Chem 52: 5365-79 (2009) Article DOI: 10.1021/jm900859q BindingDB Entry DOI: 10.7270/Q2707ZSB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM31894 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 19....) Show SMILES Clc1ccc(cc1)-c1nc2ccc(cc2c2OCCCc12)C(=O)NCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C39H40Cl2N4O2/c40-27-15-12-25(13-16-27)36-31-10-8-22-47-38(31)32-23-26(14-19-34(32)45-36)39(46)43-21-7-3-1-2-6-20-42-37-29-9-4-5-11-33(29)44-35-24-28(41)17-18-30(35)37/h12-19,23-24H,1-11,20-22H2,(H,42,44)(H,43,46)	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	18.3	n/a	n/a	n/a	n/a	8.0	25
Universitat de Barcelona					Assay Description AChE inhibitory activity was evaluated spectrophotometrically by the method of Ellman, using AChE from bovine or human erythrocytes and acetylthiocho...				J Med Chem 52: 5365-79 (2009) Article DOI: 10.1021/jm900859q BindingDB Entry DOI: 10.7270/Q2707ZSB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM31895 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 20....) Show SMILES Clc1ccc(cc1)-c1nc2ccc(cc2c2OCCCc12)C(=O)NCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C40H42Cl2N4O2/c41-28-16-13-26(14-17-28)37-32-11-9-23-48-39(32)33-24-27(15-20-35(33)46-37)40(47)44-22-8-4-2-1-3-7-21-43-38-30-10-5-6-12-34(30)45-36-25-29(42)18-19-31(36)38/h13-20,24-25H,1-12,21-23H2,(H,43,45)(H,44,47)	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	19	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate by spectrophotometric analysis				Eur J Med Chem 84: 107-17 (2014) Article DOI: 10.1016/j.ejmech.2014.07.021 BindingDB Entry DOI: 10.7270/Q2571DNF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM31893 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 18....) Show SMILES Clc1ccc(cc1)-c1nc2ccc(cc2c2OCCCc12)C(=O)NCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C38H38Cl2N4O2/c39-26-14-11-24(12-15-26)35-30-9-7-21-46-37(30)31-22-25(13-18-33(31)44-35)38(45)42-20-6-2-1-5-19-41-36-28-8-3-4-10-32(28)43-34-23-27(40)16-17-29(34)36/h11-18,22-23H,1-10,19-21H2,(H,41,43)(H,42,45)	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	19.2	n/a	n/a	n/a	n/a	8.0	25
Universitat de Barcelona					Assay Description AChE inhibitory activity was evaluated spectrophotometrically by the method of Ellman, using AChE from bovine or human erythrocytes and acetylthiocho...				J Med Chem 52: 5365-79 (2009) Article DOI: 10.1021/jm900859q BindingDB Entry DOI: 10.7270/Q2707ZSB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM31893 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 18....) Show SMILES Clc1ccc(cc1)-c1nc2ccc(cc2c2OCCCc12)C(=O)NCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C38H38Cl2N4O2/c39-26-14-11-24(12-15-26)35-30-9-7-21-46-37(30)31-22-25(13-18-33(31)44-35)38(45)42-20-6-2-1-5-19-41-36-28-8-3-4-10-32(28)43-34-23-27(40)16-17-29(34)36/h11-18,22-23H,1-10,19-21H2,(H,41,43)(H,42,45)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20.4	n/a	n/a	n/a	n/a	8.0	25
Universitat de Barcelona					Assay Description AChE inhibitory activity was evaluated spectrophotometrically by the method of Ellman, using AChE from bovine or human erythrocytes and acetylthiocho...				J Med Chem 52: 5365-79 (2009) Article DOI: 10.1021/jm900859q BindingDB Entry DOI: 10.7270/Q2707ZSB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM31899 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 24....) Show SMILES Clc1ccc2c(NCCCCCNC(=O)CCc3ccc4nc(-c5ccccc5)c5CCCOc5c4c3)c3CCCCc3nc2c1 Show InChI InChI=1S/C39H41ClN4O2/c40-28-17-18-30-35(25-28)43-33-14-6-5-12-29(33)38(30)42-22-8-2-7-21-41-36(45)20-16-26-15-19-34-32(24-26)39-31(13-9-23-46-39)37(44-34)27-10-3-1-4-11-27/h1,3-4,10-11,15,17-19,24-25H,2,5-9,12-14,16,20-23H2,(H,41,45)(H,42,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23.9	n/a	n/a	n/a	n/a	8.0	25
Universitat de Barcelona					Assay Description AChE inhibitory activity was evaluated spectrophotometrically by the method of Ellman, using AChE from bovine or human erythrocytes and acetylthiocho...				J Med Chem 52: 5365-79 (2009) Article DOI: 10.1021/jm900859q BindingDB Entry DOI: 10.7270/Q2707ZSB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM31896 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 21....) Show SMILES Clc1ccc(cc1)-c1nc2ccc(cc2c2OCCCc12)C(=O)NCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C41H44Cl2N4O2/c42-29-17-14-27(15-18-29)38-33-12-10-24-49-40(33)34-25-28(16-21-36(34)47-38)41(48)45-23-9-5-3-1-2-4-8-22-44-39-31-11-6-7-13-35(31)46-37-26-30(43)19-20-32(37)39/h14-21,25-26H,1-13,22-24H2,(H,44,46)(H,45,48)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	8.0	25
Universitat de Barcelona					Assay Description AChE inhibitory activity was evaluated spectrophotometrically by the method of Ellman, using AChE from bovine or human erythrocytes and acetylthiocho...				J Med Chem 52: 5365-79 (2009) Article DOI: 10.1021/jm900859q BindingDB Entry DOI: 10.7270/Q2707ZSB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM31896 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 21....) Show SMILES Clc1ccc(cc1)-c1nc2ccc(cc2c2OCCCc12)C(=O)NCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C41H44Cl2N4O2/c42-29-17-14-27(15-18-29)38-33-12-10-24-49-40(33)34-25-28(16-21-36(34)47-38)41(48)45-23-9-5-3-1-2-4-8-22-44-39-31-11-6-7-13-35(31)46-37-26-30(43)19-20-32(37)39/h14-21,25-26H,1-13,22-24H2,(H,44,46)(H,45,48)	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	24.9	n/a	n/a	n/a	n/a	8.0	25
Universitat de Barcelona					Assay Description AChE inhibitory activity was evaluated spectrophotometrically by the method of Ellman, using AChE from bovine or human erythrocytes and acetylthiocho...				J Med Chem 52: 5365-79 (2009) Article DOI: 10.1021/jm900859q BindingDB Entry DOI: 10.7270/Q2707ZSB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM31901 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 26....) Show SMILES Clc1ccc2c(NCCCCCCCNC(=O)CCc3ccc4nc(-c5ccccc5)c5CCCOc5c4c3)c3CCCCc3nc2c1 Show InChI InChI=1S/C41H45ClN4O2/c42-30-19-20-32-37(27-30)45-35-16-8-7-14-31(35)40(32)44-24-10-3-1-2-9-23-43-38(47)22-18-28-17-21-36-34(26-28)41-33(15-11-25-48-41)39(46-36)29-12-5-4-6-13-29/h4-6,12-13,17,19-21,26-27H,1-3,7-11,14-16,18,22-25H2,(H,43,47)(H,44,45)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29.9	n/a	n/a	n/a	n/a	8.0	25
Universitat de Barcelona					Assay Description AChE inhibitory activity was evaluated spectrophotometrically by the method of Ellman, using AChE from bovine or human erythrocytes and acetylthiocho...				J Med Chem 52: 5365-79 (2009) Article DOI: 10.1021/jm900859q BindingDB Entry DOI: 10.7270/Q2707ZSB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM31900 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 25....) Show SMILES Clc1ccc2c(NCCCCCCNC(=O)CCc3ccc4nc(-c5ccccc5)c5CCCOc5c4c3)c3CCCCc3nc2c1 Show InChI InChI=1S/C40H43ClN4O2/c41-29-18-19-31-36(26-29)44-34-15-7-6-13-30(34)39(31)43-23-9-2-1-8-22-42-37(46)21-17-27-16-20-35-33(25-27)40-32(14-10-24-47-40)38(45-35)28-11-4-3-5-12-28/h3-5,11-12,16,18-20,25-26H,1-2,6-10,13-15,17,21-24H2,(H,42,46)(H,43,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30.8	n/a	n/a	n/a	n/a	8.0	25
Universitat de Barcelona					Assay Description AChE inhibitory activity was evaluated spectrophotometrically by the method of Ellman, using AChE from bovine or human erythrocytes and acetylthiocho...				J Med Chem 52: 5365-79 (2009) Article DOI: 10.1021/jm900859q BindingDB Entry DOI: 10.7270/Q2707ZSB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM31902 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 27....) Show SMILES Clc1ccc2c(NCCCCCCCCNC(=O)CCc3ccc4nc(-c5ccccc5)c5CCCOc5c4c3)c3CCCCc3nc2c1 Show InChI InChI=1S/C42H47ClN4O2/c43-31-20-21-33-38(28-31)46-36-17-9-8-15-32(36)41(33)45-25-11-4-2-1-3-10-24-44-39(48)23-19-29-18-22-37-35(27-29)42-34(16-12-26-49-42)40(47-37)30-13-6-5-7-14-30/h5-7,13-14,18,20-22,27-28H,1-4,8-12,15-17,19,23-26H2,(H,44,48)(H,45,46)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34.1	n/a	n/a	n/a	n/a	8.0	25
Universitat de Barcelona					Assay Description AChE inhibitory activity was evaluated spectrophotometrically by the method of Ellman, using AChE from bovine or human erythrocytes and acetylthiocho...				J Med Chem 52: 5365-79 (2009) Article DOI: 10.1021/jm900859q BindingDB Entry DOI: 10.7270/Q2707ZSB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50448131 (CHEMBL3122167) Show SMILES CCNC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c3CCCNc3c2c1 Show InChI InChI=1S/C21H20ClN3O/c1-2-23-21(26)14-7-10-18-17(12-14)20-16(4-3-11-24-20)19(25-18)13-5-8-15(22)9-6-13/h5-10,12,24H,2-4,11H2,1H3,(H,23,26)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...				Eur J Med Chem 73: 141-52 (2014) Article DOI: 10.1016/j.ejmech.2013.12.008 BindingDB Entry DOI: 10.7270/Q2CF9RKN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM31898 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 23....) Show SMILES Clc1ccc2c(NCCCCNC(=O)CCc3ccc4nc(-c5ccccc5)c5CCCOc5c4c3)c3CCCCc3nc2c1 Show InChI InChI=1S/C38H39ClN4O2/c39-27-16-17-29-34(24-27)42-32-13-5-4-11-28(32)37(29)41-21-7-6-20-40-35(44)19-15-25-14-18-33-31(23-25)38-30(12-8-22-45-38)36(43-33)26-9-2-1-3-10-26/h1-3,9-10,14,16-18,23-24H,4-8,11-13,15,19-22H2,(H,40,44)(H,41,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48.1	n/a	n/a	n/a	n/a	8.0	25
Universitat de Barcelona					Assay Description AChE inhibitory activity was evaluated spectrophotometrically by the method of Ellman, using AChE from bovine or human erythrocytes and acetylthiocho...				J Med Chem 52: 5365-79 (2009) Article DOI: 10.1021/jm900859q BindingDB Entry DOI: 10.7270/Q2707ZSB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM31897 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 22....) Show SMILES Clc1ccc(cc1)-c1nc2ccc(cc2c2OCCCc12)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C42H46Cl2N4O2/c43-30-18-15-28(16-19-30)39-34-13-11-25-50-41(34)35-26-29(17-22-37(35)48-39)42(49)46-24-10-6-4-2-1-3-5-9-23-45-40-32-12-7-8-14-36(32)47-38-27-31(44)20-21-33(38)40/h15-22,26-27H,1-14,23-25H2,(H,45,47)(H,46,49)	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	50	n/a	n/a	n/a	n/a	8.0	25
Universitat de Barcelona					Assay Description AChE inhibitory activity was evaluated spectrophotometrically by the method of Ellman, using AChE from bovine or human erythrocytes and acetylthiocho...				J Med Chem 52: 5365-79 (2009) Article DOI: 10.1021/jm900859q BindingDB Entry DOI: 10.7270/Q2707ZSB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50448131 (CHEMBL3122167) Show SMILES CCNC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c3CCCNc3c2c1 Show InChI InChI=1S/C21H20ClN3O/c1-2-23-21(26)14-7-10-18-17(12-14)20-16(4-3-11-24-20)19(25-18)13-5-8-15(22)9-6-13/h5-10,12,24H,2-4,11H2,1H3,(H,23,26)	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	65	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate by spectrophotometric analysis				Eur J Med Chem 84: 107-17 (2014) Article DOI: 10.1016/j.ejmech.2014.07.021 BindingDB Entry DOI: 10.7270/Q2571DNF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM31897 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 22....) Show SMILES Clc1ccc(cc1)-c1nc2ccc(cc2c2OCCCc12)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C42H46Cl2N4O2/c43-30-18-15-28(16-19-30)39-34-13-11-25-50-41(34)35-26-29(17-22-37(35)48-39)42(49)46-24-10-6-4-2-1-3-5-9-23-45-40-32-12-7-8-14-36(32)47-38-27-31(44)20-21-33(38)40/h15-22,26-27H,1-14,23-25H2,(H,45,47)(H,46,49)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	93.7	n/a	n/a	n/a	n/a	8.0	25
Universitat de Barcelona					Assay Description AChE inhibitory activity was evaluated spectrophotometrically by the method of Ellman, using AChE from bovine or human erythrocytes and acetylthiocho...				J Med Chem 52: 5365-79 (2009) Article DOI: 10.1021/jm900859q BindingDB Entry DOI: 10.7270/Q2707ZSB
					More data for this Ligand-Target Pair
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	114	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate by spectrophotometric analysis				Eur J Med Chem 84: 107-17 (2014) Article DOI: 10.1016/j.ejmech.2014.07.021 BindingDB Entry DOI: 10.7270/Q2571DNF
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50049862 (CHEMBL3322232) Show SMILES Cl.Clc1ccc(cc1)-c1nc2ccc(cc2c2NCCCc12)C(=O)NCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C35H33Cl2N5O/c36-23-11-8-21(9-12-23)32-27-6-3-16-38-34(27)28-19-22(10-15-30(28)42-32)35(43)40-18-4-17-39-33-25-5-1-2-7-29(25)41-31-20-24(37)13-14-26(31)33/h8-15,19-20,38H,1-7,16-18H2,(H,39,41)(H,40,43)	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	120	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate by spectrophotometric analysis				Eur J Med Chem 84: 107-17 (2014) Article DOI: 10.1016/j.ejmech.2014.07.021 BindingDB Entry DOI: 10.7270/Q2571DNF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50448132 (CHEMBL3122150) Show SMILES CCNCc1ccc2nc(-c3ccc(Cl)cc3)c3CCCN(Cc4ccccc4)c3c2c1 Show InChI InChI=1S/C28H28ClN3/c1-2-30-18-21-10-15-26-25(17-21)28-24(27(31-26)22-11-13-23(29)14-12-22)9-6-16-32(28)19-20-7-4-3-5-8-20/h3-5,7-8,10-15,17,30H,2,6,9,16,18-19H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	147	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...				Eur J Med Chem 73: 141-52 (2014) Article DOI: 10.1016/j.ejmech.2013.12.008 BindingDB Entry DOI: 10.7270/Q2CF9RKN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50448135 (CHEMBL3122166) Show SMILES CCOC(=O)c1ccc2nc(-c3cccnc3)c3CCCNc3c2c1 Show InChI InChI=1S/C20H19N3O2/c1-2-25-20(24)13-7-8-17-16(11-13)19-15(6-4-10-22-19)18(23-17)14-5-3-9-21-12-14/h3,5,7-9,11-12,22H,2,4,6,10H2,1H3	UniProtKB/SwissProt 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
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...				Eur J Med Chem 73: 141-52 (2014) Article DOI: 10.1016/j.ejmech.2013.12.008 BindingDB Entry DOI: 10.7270/Q2CF9RKN
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50049861 (CHEMBL3322233) Show SMILES Cl.Clc1ccc(cc1)-c1nc2ccc(cc2c2NCCCc12)C(=O)NCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C36H35Cl2N5O/c37-24-12-9-22(10-13-24)33-28-7-5-19-40-35(28)29-20-23(11-16-31(29)43-33)36(44)41-18-4-3-17-39-34-26-6-1-2-8-30(26)42-32-21-25(38)14-15-27(32)34/h9-16,20-21,40H,1-8,17-19H2,(H,39,42)(H,41,44)	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	205	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate by spectrophotometric analysis				Eur J Med Chem 84: 107-17 (2014) Article DOI: 10.1016/j.ejmech.2014.07.021 BindingDB Entry DOI: 10.7270/Q2571DNF
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM31900 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 25....) Show SMILES Clc1ccc2c(NCCCCCCNC(=O)CCc3ccc4nc(-c5ccccc5)c5CCCOc5c4c3)c3CCCCc3nc2c1 Show InChI InChI=1S/C40H43ClN4O2/c41-29-18-19-31-36(26-29)44-34-15-7-6-13-30(34)39(31)43-23-9-2-1-8-22-42-37(46)21-17-27-16-20-35-33(25-27)40-32(14-10-24-47-40)38(45-35)28-11-4-3-5-12-28/h3-5,11-12,16,18-20,25-26H,1-2,6-10,13-15,17,21-24H2,(H,42,46)(H,43,44)	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	218	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona					Assay Description BChE inhibitory activity was evaluated spectrophotometrically by the method of Ellman, using BChE from human serum and butyrylthiocholine as substrat...				J Med Chem 52: 5365-79 (2009) Article DOI: 10.1021/jm900859q BindingDB Entry DOI: 10.7270/Q2707ZSB
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM31895 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 20....) Show SMILES Clc1ccc(cc1)-c1nc2ccc(cc2c2OCCCc12)C(=O)NCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C40H42Cl2N4O2/c41-28-16-13-26(14-17-28)37-32-11-9-23-48-39(32)33-24-27(15-20-35(33)46-37)40(47)44-22-8-4-2-1-3-7-21-43-38-30-10-5-6-12-34(30)45-36-25-29(42)18-19-31(36)38/h13-20,24-25H,1-12,21-23H2,(H,43,45)(H,44,47)	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	223	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate by spectrophotometric analysis				Eur J Med Chem 84: 107-17 (2014) Article DOI: 10.1016/j.ejmech.2014.07.021 BindingDB Entry DOI: 10.7270/Q2571DNF
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM31901 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 26....) Show SMILES Clc1ccc2c(NCCCCCCCNC(=O)CCc3ccc4nc(-c5ccccc5)c5CCCOc5c4c3)c3CCCCc3nc2c1 Show InChI InChI=1S/C41H45ClN4O2/c42-30-19-20-32-37(27-30)45-35-16-8-7-14-31(35)40(32)44-24-10-3-1-2-9-23-43-38(47)22-18-28-17-21-36-34(26-28)41-33(15-11-25-48-41)39(46-36)29-12-5-4-6-13-29/h4-6,12-13,17,19-21,26-27H,1-3,7-11,14-16,18,22-25H2,(H,43,47)(H,44,45)	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	234	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona					Assay Description BChE inhibitory activity was evaluated spectrophotometrically by the method of Ellman, using BChE from human serum and butyrylthiocholine as substrat...				J Med Chem 52: 5365-79 (2009) Article DOI: 10.1021/jm900859q BindingDB Entry DOI: 10.7270/Q2707ZSB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50448138 (CHEMBL3122147) Show SMILES CCOC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c3CCCNc3c2c1 Show InChI InChI=1S/C21H19ClN2O2/c1-2-26-21(25)14-7-10-18-17(12-14)20-16(4-3-11-23-20)19(24-18)13-5-8-15(22)9-6-13/h5-10,12,23H,2-4,11H2,1H3	UniProtKB/SwissProt 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
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...				Eur J Med Chem 73: 141-52 (2014) Article DOI: 10.1016/j.ejmech.2013.12.008 BindingDB Entry DOI: 10.7270/Q2CF9RKN
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50049859 (CHEMBL3322231) Show SMILES Cl.Clc1ccc(cc1)-c1nc2ccc(cc2c2NCCCc12)C(=O)NCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C40H43Cl2N5O/c41-28-16-13-26(14-17-28)37-32-11-9-23-44-39(32)33-24-27(15-20-35(33)47-37)40(48)45-22-8-4-2-1-3-7-21-43-38-30-10-5-6-12-34(30)46-36-25-29(42)18-19-31(36)38/h13-20,24-25,44H,1-12,21-23H2,(H,43,46)(H,45,48)	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	286	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate by spectrophotometric analysis				Eur J Med Chem 84: 107-17 (2014) Article DOI: 10.1016/j.ejmech.2014.07.021 BindingDB Entry DOI: 10.7270/Q2571DNF
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM31899 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 24....) Show SMILES Clc1ccc2c(NCCCCCNC(=O)CCc3ccc4nc(-c5ccccc5)c5CCCOc5c4c3)c3CCCCc3nc2c1 Show InChI InChI=1S/C39H41ClN4O2/c40-28-17-18-30-35(25-28)43-33-14-6-5-12-29(33)38(30)42-22-8-2-7-21-41-36(45)20-16-26-15-19-34-32(24-26)39-31(13-9-23-46-39)37(44-34)27-10-3-1-4-11-27/h1,3-4,10-11,15,17-19,24-25H,2,5-9,12-14,16,20-23H2,(H,41,45)(H,42,43)	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	290	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona					Assay Description BChE inhibitory activity was evaluated spectrophotometrically by the method of Ellman, using BChE from human serum and butyrylthiocholine as substrat...				J Med Chem 52: 5365-79 (2009) Article DOI: 10.1021/jm900859q BindingDB Entry DOI: 10.7270/Q2707ZSB
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM31895 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 20....) Show SMILES Clc1ccc(cc1)-c1nc2ccc(cc2c2OCCCc12)C(=O)NCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C40H42Cl2N4O2/c41-28-16-13-26(14-17-28)37-32-11-9-23-48-39(32)33-24-27(15-20-35(33)46-37)40(47)44-22-8-4-2-1-3-7-21-43-38-30-10-5-6-12-34(30)45-36-25-29(42)18-19-31(36)38/h13-20,24-25H,1-12,21-23H2,(H,43,45)(H,44,47)	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	331	n/a	n/a	n/a	n/a	8.0	25
Universitat de Barcelona					Assay Description BChE inhibitory activity was evaluated spectrophotometrically by the method of Ellman, using BChE from human serum and butyrylthiocholine as substrat...				J Med Chem 52: 5365-79 (2009) Article DOI: 10.1021/jm900859q BindingDB Entry DOI: 10.7270/Q2707ZSB
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50049860 (CHEMBL3322234) Show SMILES Cl.Clc1ccc(cc1)-c1nc2ccc(cc2c2NCCCc12)C(=O)NCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C37H37Cl2N5O/c38-25-13-10-23(11-14-25)34-29-8-6-20-41-36(29)30-21-24(12-17-32(30)44-34)37(45)42-19-5-1-4-18-40-35-27-7-2-3-9-31(27)43-33-22-26(39)15-16-28(33)35/h10-17,21-22,41H,1-9,18-20H2,(H,40,43)(H,42,45)	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	337	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate by spectrophotometric analysis				Eur J Med Chem 84: 107-17 (2014) Article DOI: 10.1016/j.ejmech.2014.07.021 BindingDB Entry DOI: 10.7270/Q2571DNF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50499520 (CHEMBL3741559) Show SMILES NCc1ccc(cc1)-c1nc2cc(Cl)ccc2c2NCCCc12 Show InChI InChI=1S/C19H18ClN3/c20-14-7-8-15-17(10-14)23-18(16-2-1-9-22-19(15)16)13-5-3-12(11-21)4-6-13/h3-8,10,22H,1-2,9,11,21H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase pre-incubated for 20 mins before acetylthiocholine iodide substrate addition by spectroph...				Eur J Med Chem 105: 120-37 (2015) Article DOI: 10.1016/j.ejmech.2015.10.007 BindingDB Entry DOI: 10.7270/Q2GF0XHB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50448130 (CHEMBL3122168) Show SMILES CCNCc1ccc2nc(c3CCCNc3c2c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H22ClN3/c1-2-23-13-14-5-10-19-18(12-14)21-17(4-3-11-24-21)20(25-19)15-6-8-16(22)9-7-15/h5-10,12,23-24H,2-4,11,13H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	532	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...				Eur J Med Chem 73: 141-52 (2014) Article DOI: 10.1016/j.ejmech.2013.12.008 BindingDB Entry DOI: 10.7270/Q2CF9RKN
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM31898 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 23....) Show SMILES Clc1ccc2c(NCCCCNC(=O)CCc3ccc4nc(-c5ccccc5)c5CCCOc5c4c3)c3CCCCc3nc2c1 Show InChI InChI=1S/C38H39ClN4O2/c39-27-16-17-29-34(24-27)42-32-13-5-4-11-28(32)37(29)41-21-7-6-20-40-35(44)19-15-25-14-18-33-31(23-25)38-30(12-8-22-45-38)36(43-33)26-9-2-1-3-10-26/h1-3,9-10,14,16-18,23-24H,4-8,11-13,15,19-22H2,(H,40,44)(H,41,42)	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	586	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona					Assay Description BChE inhibitory activity was evaluated spectrophotometrically by the method of Ellman, using BChE from human serum and butyrylthiocholine as substrat...				J Med Chem 52: 5365-79 (2009) Article DOI: 10.1021/jm900859q BindingDB Entry DOI: 10.7270/Q2707ZSB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50499519 (CHEMBL3740980) Show SMILES NCc1ccc(cc1)-c1nc2ccc(Cl)cc2c2NCCc12 Show InChI InChI=1S/C18H16ClN3/c19-13-5-6-16-15(9-13)18-14(7-8-21-18)17(22-16)12-3-1-11(10-20)2-4-12/h1-6,9,21H,7-8,10,20H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase pre-incubated for 20 mins before acetylthiocholine iodide substrate addition by spectroph...				Eur J Med Chem 105: 120-37 (2015) Article DOI: 10.1016/j.ejmech.2015.10.007 BindingDB Entry DOI: 10.7270/Q2GF0XHB
					More data for this Ligand-Target Pair
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	916	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona					Assay Description BChE inhibitory activity was evaluated spectrophotometrically by the method of Ellman, using BChE from human serum and butyrylthiocholine as substrat...				J Med Chem 52: 5365-79 (2009) Article DOI: 10.1021/jm900859q BindingDB Entry DOI: 10.7270/Q2707ZSB
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50448131 (CHEMBL3122167) Show SMILES CCNC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c3CCCNc3c2c1 Show InChI InChI=1S/C21H20ClN3O/c1-2-23-21(26)14-7-10-18-17(12-14)20-16(4-3-11-24-20)19(25-18)13-5-8-15(22)9-6-13/h5-10,12,24H,2-4,11H2,1H3,(H,23,26)	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	920	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate by spectrophotometric analysis				Eur J Med Chem 84: 107-17 (2014) Article DOI: 10.1016/j.ejmech.2014.07.021 BindingDB Entry DOI: 10.7270/Q2571DNF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50499526 (CHEMBL3742126) Show SMILES NCc1ccc(cc1)-c1nc2ccc(Cl)cc2c2NCCCc12 Show InChI InChI=1S/C19H18ClN3/c20-14-7-8-17-16(10-14)19-15(2-1-9-22-19)18(23-17)13-5-3-12(11-21)4-6-13/h3-8,10,22H,1-2,9,11,21H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	970	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase pre-incubated for 20 mins before acetylthiocholine iodide substrate addition by spectroph...				Eur J Med Chem 105: 120-37 (2015) Article DOI: 10.1016/j.ejmech.2015.10.007 BindingDB Entry DOI: 10.7270/Q2GF0XHB
					More data for this Ligand-Target Pair

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