Compile Data Set for Download or QSAR

Found 80 hits from Neuropharma   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Acetylcholinesterase (Bos taurus (bovine))	BDBM9022 (CHEMBL225567 | Indole-Tacrine Heterodimer 5 | N-[5...) Show SMILES Clc1ccc2c(NCCCCCCNC(=O)CCc3c[nH]c4ccccc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C30H35ClN4O/c31-22-14-15-25-28(19-22)35-27-12-6-4-10-24(27)30(25)33-18-8-2-1-7-17-32-29(36)16-13-21-20-34-26-11-5-3-9-23(21)26/h3,5,9,11,14-15,19-20,34H,1-2,4,6-8,10,12-13,16-18H2,(H,32,36)(H,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	8.0	30
Neuropharma					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 5 min with ...				J Med Chem 48: 7223-33 (2005) Article DOI: 10.1021/jm0503289 BindingDB Entry DOI: 10.7270/Q2QN64Z5
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM9027 (3-(1H-indol-3-yl)-N-(3-{methyl[3-(1,2,3,4-tetrahyd...) Show SMILES CN(CCCNC(=O)CCc1c[nH]c2ccccc12)CCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C31H39N5O/c1-36(20-8-18-32-30(37)17-16-23-22-34-27-13-5-2-10-24(23)27)21-9-19-33-31-25-11-3-6-14-28(25)35-29-15-7-4-12-26(29)31/h2-3,5-6,10-11,13-14,22,34H,4,7-9,12,15-21H2,1H3,(H,32,37)(H,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
Neuropharma					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 5 min with ...				J Med Chem 48: 7223-33 (2005) Article DOI: 10.1021/jm0503289 BindingDB Entry DOI: 10.7270/Q2QN64Z5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM9023 (CHEMBL225198 | Indole-Tacrine Heterodimer 6 | N-[7...) Show SMILES Clc1ccc2c(NCCCCCCCNC(=O)CCc3c[nH]c4ccccc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C31H37ClN4O/c32-23-15-16-26-29(20-23)36-28-13-7-5-11-25(28)31(26)34-19-9-3-1-2-8-18-33-30(37)17-14-22-21-35-27-12-6-4-10-24(22)27/h4,6,10,12,15-16,20-21,35H,1-3,5,7-9,11,13-14,17-19H2,(H,33,37)(H,34,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	8.0	30
Neuropharma					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 5 min with ...				J Med Chem 48: 7223-33 (2005) Article DOI: 10.1021/jm0503289 BindingDB Entry DOI: 10.7270/Q2QN64Z5
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM9023 (CHEMBL225198 | Indole-Tacrine Heterodimer 6 | N-[7...) Show SMILES Clc1ccc2c(NCCCCCCCNC(=O)CCc3c[nH]c4ccccc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C31H37ClN4O/c32-23-15-16-26-29(20-23)36-28-13-7-5-11-25(28)31(26)34-19-9-3-1-2-8-18-33-30(37)17-14-22-21-35-27-12-6-4-10-24(22)27/h4,6,10,12,15-16,20-21,35H,1-3,5,7-9,11,13-14,17-19H2,(H,33,37)(H,34,36)	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	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Neuropharma					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 5 min with ...				J Med Chem 48: 7223-33 (2005) Article DOI: 10.1021/jm0503289 BindingDB Entry DOI: 10.7270/Q2QN64Z5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM9035 (Indole-Tacrine Heterodimer 18 | N-[7-(6-Chloro-1,2...) Show SMILES Clc1ccc2c(NCCCCCCCNC(=O)Cc3c[nH]c4ccccc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C30H35ClN4O/c31-22-14-15-25-28(19-22)35-27-13-7-5-11-24(27)30(25)33-17-9-3-1-2-8-16-32-29(36)18-21-20-34-26-12-6-4-10-23(21)26/h4,6,10,12,14-15,19-20,34H,1-3,5,7-9,11,13,16-18H2,(H,32,36)(H,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	8.0	30
Neuropharma					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 5 min with ...				J Med Chem 48: 7223-33 (2005) Article DOI: 10.1021/jm0503289 BindingDB Entry DOI: 10.7270/Q2QN64Z5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM9037 (Indole-Tacrine Heterodimer 20 | N-[5-(6-Chloro-1,2...) Show SMILES Clc1ccc2c(NCCCCCNC(=O)CCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C30H35ClN4O/c31-22-15-16-25-28(19-22)35-27-13-5-3-11-24(27)30(25)33-18-7-1-6-17-32-29(36)14-8-9-21-20-34-26-12-4-2-10-23(21)26/h2,4,10,12,15-16,19-20,34H,1,3,5-9,11,13-14,17-18H2,(H,32,36)(H,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	8.0	30
Neuropharma					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 5 min with ...				J Med Chem 48: 7223-33 (2005) Article DOI: 10.1021/jm0503289 BindingDB Entry DOI: 10.7270/Q2QN64Z5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM9024 (Indole-Tacrine Heterodimer 7 | N-[8-(6-Chloro-1,2,...) Show SMILES Clc1ccc2c(NCCCCCCCCNC(=O)CCc3c[nH]c4ccccc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C32H39ClN4O/c33-24-16-17-27-30(21-24)37-29-14-8-6-12-26(29)32(27)35-20-10-4-2-1-3-9-19-34-31(38)18-15-23-22-36-28-13-7-5-11-25(23)28/h5,7,11,13,16-17,21-22,36H,1-4,6,8-10,12,14-15,18-20H2,(H,34,38)(H,35,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	8.0	30
Neuropharma					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 5 min with ...				J Med Chem 48: 7223-33 (2005) Article DOI: 10.1021/jm0503289 BindingDB Entry DOI: 10.7270/Q2QN64Z5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM9038 (Indole-Tacrine Heterodimer 21 | N-[6-(6-Chloro-1,2...) Show SMILES Clc1ccc2c(NCCCCCCNC(=O)CCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C31H37ClN4O/c32-23-16-17-26-29(20-23)36-28-14-6-4-12-25(28)31(26)34-19-8-2-1-7-18-33-30(37)15-9-10-22-21-35-27-13-5-3-11-24(22)27/h3,5,11,13,16-17,20-21,35H,1-2,4,6-10,12,14-15,18-19H2,(H,33,37)(H,34,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	8.0	30
Neuropharma					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 5 min with ...				J Med Chem 48: 7223-33 (2005) Article DOI: 10.1021/jm0503289 BindingDB Entry DOI: 10.7270/Q2QN64Z5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM9036 (2-(5-Bromo-1H-indol-3-yl)-N-[7-(6-chloro-1,2,3,4-t...) Show SMILES Clc1ccc2c(NCCCCCCCNC(=O)Cc3c[nH]c4ccc(Br)cc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C30H34BrClN4O/c31-21-10-13-26-25(17-21)20(19-35-26)16-29(37)33-14-6-2-1-3-7-15-34-30-23-8-4-5-9-27(23)36-28-18-22(32)11-12-24(28)30/h10-13,17-19,35H,1-9,14-16H2,(H,33,37)(H,34,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	8.0	30
Neuropharma					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 5 min with ...				J Med Chem 48: 7223-33 (2005) Article DOI: 10.1021/jm0503289 BindingDB Entry DOI: 10.7270/Q2QN64Z5
					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
Neuropharma					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 10 min with...				Bioorg Med Chem 13: 6588-97 (2005) Article DOI: 10.1016/j.bmc.2005.09.029 BindingDB Entry DOI: 10.7270/Q2G73BW9
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM9042 (2-(1H-indol-3-yl)ethyl N-{6-[(6-chloro-1,2,3,4-tet...) Show SMILES Clc1ccc2c(NCCCCCCNC(=O)OCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C30H35ClN4O2/c31-22-13-14-25-28(19-22)35-27-12-6-4-10-24(27)29(25)32-16-7-1-2-8-17-33-30(36)37-18-15-21-20-34-26-11-5-3-9-23(21)26/h3,5,9,11,13-14,19-20,34H,1-2,4,6-8,10,12,15-18H2,(H,32,35)(H,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	8.0	30
Neuropharma					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 5 min with ...				J Med Chem 48: 7223-33 (2005) Article DOI: 10.1021/jm0503289 BindingDB Entry DOI: 10.7270/Q2QN64Z5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM9029 (Indole-Tacrine Heterodimer 12 | N-[6-(6-Chloro-1,2...) Show SMILES Clc1ccc2c(NCCCCCCNC(=O)CCc3c[nH]c4ccc(cc34)C#N)c3CCCCc3nc2c1 Show InChI InChI=1S/C31H34ClN5O/c32-23-11-12-25-29(18-23)37-28-8-4-3-7-24(28)31(25)35-16-6-2-1-5-15-34-30(38)14-10-22-20-36-27-13-9-21(19-33)17-26(22)27/h9,11-13,17-18,20,36H,1-8,10,14-16H2,(H,34,38)(H,35,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	8.0	30
Neuropharma					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 5 min with ...				J Med Chem 48: 7223-33 (2005) Article DOI: 10.1021/jm0503289 BindingDB Entry DOI: 10.7270/Q2QN64Z5
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM9020 (3-(1H-Indol-3-yl)-N-[5-(1,2,3,4-tetrahydroacridin-...) Show SMILES O=C(CCc1c[nH]c2ccccc12)NCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C29H34N4O/c34-28(17-16-21-20-32-25-13-5-2-10-22(21)25)30-18-8-1-9-19-31-29-23-11-3-6-14-26(23)33-27-15-7-4-12-24(27)29/h2-3,5-6,10-11,13-14,20,32H,1,4,7-9,12,15-19H2,(H,30,34)(H,31,33)	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	1	n/a	n/a	n/a	n/a	n/a	n/a
Neuropharma					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 5 min with ...				J Med Chem 48: 7223-33 (2005) Article DOI: 10.1021/jm0503289 BindingDB Entry DOI: 10.7270/Q2QN64Z5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM9041 (2-(1H-indol-3-yl)ethyl N-{5-[(6-chloro-1,2,3,4-tet...) Show SMILES Clc1ccc2c(NCCCCCNC(=O)OCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C29H33ClN4O2/c30-21-12-13-24-27(18-21)34-26-11-5-3-9-23(26)28(24)31-15-6-1-7-16-32-29(35)36-17-14-20-19-33-25-10-4-2-8-22(20)25/h2,4,8,10,12-13,18-19,33H,1,3,5-7,9,11,14-17H2,(H,31,34)(H,32,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	8.0	30
Neuropharma					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 5 min with ...				J Med Chem 48: 7223-33 (2005) Article DOI: 10.1021/jm0503289 BindingDB Entry DOI: 10.7270/Q2QN64Z5
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM9032 (1H-Indole-3-carboxylic Acid [6-(6-Chloro-1,2,3,4-t...) Show SMILES Clc1ccc2c(NCCCCCCNC(=O)c3c[nH]c4ccccc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C28H31ClN4O/c29-19-13-14-22-26(17-19)33-25-12-6-4-10-21(25)27(22)30-15-7-1-2-8-16-31-28(34)23-18-32-24-11-5-3-9-20(23)24/h3,5,9,11,13-14,17-18,32H,1-2,4,6-8,10,12,15-16H2,(H,30,33)(H,31,34)	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	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Neuropharma					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 5 min with ...				J Med Chem 48: 7223-33 (2005) Article DOI: 10.1021/jm0503289 BindingDB Entry DOI: 10.7270/Q2QN64Z5
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM9036 (2-(5-Bromo-1H-indol-3-yl)-N-[7-(6-chloro-1,2,3,4-t...) Show SMILES Clc1ccc2c(NCCCCCCCNC(=O)Cc3c[nH]c4ccc(Br)cc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C30H34BrClN4O/c31-21-10-13-26-25(17-21)20(19-35-26)16-29(37)33-14-6-2-1-3-7-15-34-30-23-8-4-5-9-27(23)36-28-18-22(32)11-12-24(28)30/h10-13,17-19,35H,1-9,14-16H2,(H,33,37)(H,34,36)	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	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Neuropharma					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 5 min with ...				J Med Chem 48: 7223-33 (2005) Article DOI: 10.1021/jm0503289 BindingDB Entry DOI: 10.7270/Q2QN64Z5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM9073 (2-[9-(Acridin-9-ylamino)-nonyl]-isoindole-1,3-dion...) Show SMILES O=C1N(CCCCCCCCCNc2c3ccccc3nc3ccccc23)C(=O)c2ccccc12 Show InChI InChI=1S/C30H31N3O2/c34-29-22-14-6-7-15-23(22)30(35)33(29)21-13-5-3-1-2-4-12-20-31-28-24-16-8-10-18-26(24)32-27-19-11-9-17-25(27)28/h6-11,14-19H,1-5,12-13,20-21H2,(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	8.0	30
Neuropharma					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 10 min with...				Bioorg Med Chem 13: 6588-97 (2005) Article DOI: 10.1016/j.bmc.2005.09.029 BindingDB Entry DOI: 10.7270/Q2G73BW9
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM9067 (Donepezil-tacrine hybrid 12 | N-[4-({2-[(6-chloro-...) Show SMILES CN(CCCCNC(=O)CN1C(=O)c2ccccc2C1=O)CCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C30H34ClN5O3/c1-35(16-7-6-14-32-27(37)19-36-29(38)21-8-2-3-9-22(21)30(36)39)17-15-33-28-23-10-4-5-11-25(23)34-26-18-20(31)12-13-24(26)28/h2-3,8-9,12-13,18H,4-7,10-11,14-17,19H2,1H3,(H,32,37)(H,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	8.0	30
Neuropharma					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 10 min with...				Bioorg Med Chem 13: 6588-97 (2005) Article DOI: 10.1016/j.bmc.2005.09.029 BindingDB Entry DOI: 10.7270/Q2G73BW9
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM9028 (Indole-Tacrine Heterodimer 11 | N-(3-{[3-(6-Chloro...) Show SMILES CN(CCCNC(=O)CCc1c[nH]c2ccccc12)CCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C31H38ClN5O/c1-37(18-6-16-33-30(38)15-12-22-21-35-27-10-4-2-8-24(22)27)19-7-17-34-31-25-9-3-5-11-28(25)36-29-20-23(32)13-14-26(29)31/h2,4,8,10,13-14,20-21,35H,3,5-7,9,11-12,15-19H2,1H3,(H,33,38)(H,34,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	8.0	30
Neuropharma					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 5 min with ...				J Med Chem 48: 7223-33 (2005) Article DOI: 10.1021/jm0503289 BindingDB Entry DOI: 10.7270/Q2QN64Z5
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM9022 (CHEMBL225567 | Indole-Tacrine Heterodimer 5 | N-[5...) Show SMILES Clc1ccc2c(NCCCCCCNC(=O)CCc3c[nH]c4ccccc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C30H35ClN4O/c31-22-14-15-25-28(19-22)35-27-12-6-4-10-24(27)30(25)33-18-8-2-1-7-17-32-29(36)16-13-21-20-34-26-11-5-3-9-23(21)26/h3,5,9,11,14-15,19-20,34H,1-2,4,6-8,10,12-13,16-18H2,(H,32,36)(H,33,35)	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	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Neuropharma					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 5 min with ...				J Med Chem 48: 7223-33 (2005) Article DOI: 10.1021/jm0503289 BindingDB Entry DOI: 10.7270/Q2QN64Z5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM9043 (2-(1H-indol-3-yl)ethyl N-{7-[(6-chloro-1,2,3,4-tet...) Show SMILES Clc1ccc2c(NCCCCCCCNC(=O)OCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C31H37ClN4O2/c32-23-14-15-26-29(20-23)36-28-13-7-5-11-25(28)30(26)33-17-8-2-1-3-9-18-34-31(37)38-19-16-22-21-35-27-12-6-4-10-24(22)27/h4,6,10,12,14-15,20-21,35H,1-3,5,7-9,11,13,16-19H2,(H,33,36)(H,34,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	8.0	30
Neuropharma					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 5 min with ...				J Med Chem 48: 7223-33 (2005) Article DOI: 10.1021/jm0503289 BindingDB Entry DOI: 10.7270/Q2QN64Z5
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM9037 (Indole-Tacrine Heterodimer 20 | N-[5-(6-Chloro-1,2...) Show SMILES Clc1ccc2c(NCCCCCNC(=O)CCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C30H35ClN4O/c31-22-15-16-25-28(19-22)35-27-13-5-3-11-24(27)30(25)33-18-7-1-6-17-32-29(36)14-8-9-21-20-34-26-12-4-2-10-23(21)26/h2,4,10,12,15-16,19-20,34H,1,3,5-9,11,13-14,17-18H2,(H,32,36)(H,33,35)	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	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Neuropharma					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 5 min with ...				J Med Chem 48: 7223-33 (2005) Article DOI: 10.1021/jm0503289 BindingDB Entry DOI: 10.7270/Q2QN64Z5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM9021 (Indole-Tacrine Heterodimer 4 | N-[5-(6-Chloro-1,2,...) Show SMILES Clc1ccc2c(NCCCCCNC(=O)CCc3c[nH]c4ccccc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C29H33ClN4O/c30-21-13-14-24-27(18-21)34-26-11-5-3-9-23(26)29(24)32-17-7-1-6-16-31-28(35)15-12-20-19-33-25-10-4-2-8-22(20)25/h2,4,8,10,13-14,18-19,33H,1,3,5-7,9,11-12,15-17H2,(H,31,35)(H,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	8.0	30
Neuropharma					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 5 min with ...				J Med Chem 48: 7223-33 (2005) Article DOI: 10.1021/jm0503289 BindingDB Entry DOI: 10.7270/Q2QN64Z5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM9025 (Indole-Tacrine Heterodimer 8 | N-[9-(6-Chloro-1,2,...) Show SMILES Clc1ccc2c(NCCCCCCCCCNC(=O)CCc3c[nH]c4ccccc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C33H41ClN4O/c34-25-17-18-28-31(22-25)38-30-15-9-7-13-27(30)33(28)36-21-11-5-3-1-2-4-10-20-35-32(39)19-16-24-23-37-29-14-8-6-12-26(24)29/h6,8,12,14,17-18,22-23,37H,1-5,7,9-11,13,15-16,19-21H2,(H,35,39)(H,36,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	8.0	30
Neuropharma					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 5 min with ...				J Med Chem 48: 7223-33 (2005) Article DOI: 10.1021/jm0503289 BindingDB Entry DOI: 10.7270/Q2QN64Z5
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM9038 (Indole-Tacrine Heterodimer 21 | N-[6-(6-Chloro-1,2...) Show SMILES Clc1ccc2c(NCCCCCCNC(=O)CCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C31H37ClN4O/c32-23-16-17-26-29(20-23)36-28-14-6-4-12-25(28)31(26)34-19-8-2-1-7-18-33-30(37)15-9-10-22-21-35-27-13-5-3-11-24(22)27/h3,5,11,13,16-17,20-21,35H,1-2,4,6-10,12,14-15,18-19H2,(H,33,37)(H,34,36)	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	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Neuropharma					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 5 min with ...				J Med Chem 48: 7223-33 (2005) Article DOI: 10.1021/jm0503289 BindingDB Entry DOI: 10.7270/Q2QN64Z5
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM9024 (Indole-Tacrine Heterodimer 7 | N-[8-(6-Chloro-1,2,...) Show SMILES Clc1ccc2c(NCCCCCCCCNC(=O)CCc3c[nH]c4ccccc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C32H39ClN4O/c33-24-16-17-27-30(21-24)37-29-14-8-6-12-26(29)32(27)35-20-10-4-2-1-3-9-19-34-31(38)18-15-23-22-36-28-13-7-5-11-25(23)28/h5,7,11,13,16-17,21-22,36H,1-4,6,8-10,12,14-15,18-20H2,(H,34,38)(H,35,37)	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	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Neuropharma					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 5 min with ...				J Med Chem 48: 7223-33 (2005) Article DOI: 10.1021/jm0503289 BindingDB Entry DOI: 10.7270/Q2QN64Z5
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM9070 (2-[6-(Acridin-9-ylamino)-hexyl]-isoindole-1,3-dion...) Show SMILES O=C1N(CCCCCCNc2c3ccccc3nc3ccccc23)C(=O)c2ccccc12 Show InChI InChI=1S/C27H25N3O2/c31-26-19-11-3-4-12-20(19)27(32)30(26)18-10-2-1-9-17-28-25-21-13-5-7-15-23(21)29-24-16-8-6-14-22(24)25/h3-8,11-16H,1-2,9-10,17-18H2,(H,28,29)	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	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Neuropharma					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 10 min with...				Bioorg Med Chem 13: 6588-97 (2005) Article DOI: 10.1016/j.bmc.2005.09.029 BindingDB Entry DOI: 10.7270/Q2G73BW9
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM9031 (1H-Indole-3-carboxylic Acid [5-(6-Chloro-1,2,3,4-t...) Show SMILES Clc1ccc2c(NCCCCCNC(=O)c3c[nH]c4ccccc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C27H29ClN4O/c28-18-12-13-21-25(16-18)32-24-11-5-3-9-20(24)26(21)29-14-6-1-7-15-30-27(33)22-17-31-23-10-4-2-8-19(22)23/h2,4,8,10,12-13,16-17,31H,1,3,5-7,9,11,14-15H2,(H,29,32)(H,30,33)	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	9.5	n/a	n/a	n/a	n/a	n/a	n/a
Neuropharma					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 5 min with ...				J Med Chem 48: 7223-33 (2005) Article DOI: 10.1021/jm0503289 BindingDB Entry DOI: 10.7270/Q2QN64Z5
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM9025 (Indole-Tacrine Heterodimer 8 | N-[9-(6-Chloro-1,2,...) Show SMILES Clc1ccc2c(NCCCCCCCCCNC(=O)CCc3c[nH]c4ccccc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C33H41ClN4O/c34-25-17-18-28-31(22-25)38-30-15-9-7-13-27(30)33(28)36-21-11-5-3-1-2-4-10-20-35-32(39)19-16-24-23-37-29-14-8-6-12-26(24)29/h6,8,12,14,17-18,22-23,37H,1-5,7,9-11,13,15-16,19-21H2,(H,35,39)(H,36,38)	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	9.60	n/a	n/a	n/a	n/a	n/a	n/a
Neuropharma					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 5 min with ...				J Med Chem 48: 7223-33 (2005) Article DOI: 10.1021/jm0503289 BindingDB Entry DOI: 10.7270/Q2QN64Z5
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM9068 (2-[7-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-heptyl...) Show SMILES O=C1N(CCCCCCCNc2c3CCCCc3nc3ccccc23)C(=O)c2ccccc12 Show InChI InChI=1S/C28H31N3O2/c32-27-20-12-4-5-13-21(20)28(33)31(27)19-11-3-1-2-10-18-29-26-22-14-6-8-16-24(22)30-25-17-9-7-15-23(25)26/h4-6,8,12-14,16H,1-3,7,9-11,15,17-19H2,(H,29,30)	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	10	n/a	n/a	n/a	n/a	n/a	n/a
Neuropharma					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 10 min with...				Bioorg Med Chem 13: 6588-97 (2005) Article DOI: 10.1016/j.bmc.2005.09.029 BindingDB Entry DOI: 10.7270/Q2G73BW9
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM9065 (Donepezil-tacrine hybrid 10 | N-[6-(6-Chloro-1,2,3...) Show SMILES Clc1ccc2c(NCCCCCCNC(=O)CN3C(=O)c4ccccc4C3=O)c3CCCCc3nc2c1 Show InChI InChI=1S/C29H31ClN4O3/c30-19-13-14-23-25(17-19)33-24-12-6-5-11-22(24)27(23)32-16-8-2-1-7-15-31-26(35)18-34-28(36)20-9-3-4-10-21(20)29(34)37/h3-4,9-10,13-14,17H,1-2,5-8,11-12,15-16,18H2,(H,31,35)(H,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	8.0	30
Neuropharma					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 10 min with...				Bioorg Med Chem 13: 6588-97 (2005) Article DOI: 10.1016/j.bmc.2005.09.029 BindingDB Entry DOI: 10.7270/Q2G73BW9
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM9039 (1H-Methylindole-3-carboxylic Acid [7-(6-Chloro-1,2...) Show SMILES Cn1cc(C(=O)NCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c2ccccc12 Show InChI InChI=1S/C30H35ClN4O/c1-35-20-25(22-11-6-8-14-28(22)35)30(36)33-18-10-4-2-3-9-17-32-29-23-12-5-7-13-26(23)34-27-19-21(31)15-16-24(27)29/h6,8,11,14-16,19-20H,2-5,7,9-10,12-13,17-18H2,1H3,(H,32,34)(H,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10.9	n/a	n/a	n/a	n/a	8.0	30
Neuropharma					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 5 min with ...				J Med Chem 48: 7223-33 (2005) Article DOI: 10.1021/jm0503289 BindingDB Entry DOI: 10.7270/Q2QN64Z5
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM9035 (Indole-Tacrine Heterodimer 18 | N-[7-(6-Chloro-1,2...) Show SMILES Clc1ccc2c(NCCCCCCCNC(=O)Cc3c[nH]c4ccccc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C30H35ClN4O/c31-22-14-15-25-28(19-22)35-27-13-7-5-11-24(27)30(25)33-17-9-3-1-2-8-16-32-29(36)18-21-20-34-26-12-6-4-10-23(21)26/h4,6,10,12,14-15,19-20,34H,1-3,5,7-9,11,13,16-18H2,(H,32,36)(H,33,35)	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	11.7	n/a	n/a	n/a	n/a	n/a	n/a
Neuropharma					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 5 min with ...				J Med Chem 48: 7223-33 (2005) Article DOI: 10.1021/jm0503289 BindingDB Entry DOI: 10.7270/Q2QN64Z5
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM9029 (Indole-Tacrine Heterodimer 12 | N-[6-(6-Chloro-1,2...) Show SMILES Clc1ccc2c(NCCCCCCNC(=O)CCc3c[nH]c4ccc(cc34)C#N)c3CCCCc3nc2c1 Show InChI InChI=1S/C31H34ClN5O/c32-23-11-12-25-29(18-23)37-28-8-4-3-7-24(28)31(25)35-16-6-2-1-5-15-34-30(38)14-10-22-20-36-27-13-9-21(19-33)17-26(22)27/h9,11-13,17-18,20,36H,1-8,10,14-16H2,(H,34,38)(H,35,37)	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	11.7	n/a	n/a	n/a	n/a	n/a	n/a
Neuropharma					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 5 min with ...				J Med Chem 48: 7223-33 (2005) Article DOI: 10.1021/jm0503289 BindingDB Entry DOI: 10.7270/Q2QN64Z5
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM9021 (Indole-Tacrine Heterodimer 4 | N-[5-(6-Chloro-1,2,...) Show SMILES Clc1ccc2c(NCCCCCNC(=O)CCc3c[nH]c4ccccc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C29H33ClN4O/c30-21-13-14-24-27(18-21)34-26-11-5-3-9-23(26)29(24)32-17-7-1-6-16-31-28(35)15-12-20-19-33-25-10-4-2-8-22(20)25/h2,4,8,10,13-14,18-19,33H,1,3,5-7,9,11-12,15-17H2,(H,31,35)(H,32,34)	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	16	n/a	n/a	n/a	n/a	n/a	n/a
Neuropharma					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 5 min with ...				J Med Chem 48: 7223-33 (2005) Article DOI: 10.1021/jm0503289 BindingDB Entry DOI: 10.7270/Q2QN64Z5
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM119688 (US8686042, 1-Benzyl-3-naphthalen-1-yl-urea) Show SMILES O=C(NCc1ccccc1)Nc1cccc2ccccc12 Show InChI InChI=1S/C18H16N2O/c21-18(19-13-14-7-2-1-3-8-14)20-17-12-6-10-15-9-4-5-11-16(15)17/h1-12H,13H2,(H2,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	17.1	n/a	n/a	n/a	n/a	7.3	30
Neuropharma, S.A. US Patent					Assay Description The GSK-3β activity was determined by incubation of a mixture of recombinant human GSK-3 enzyme, a phosphate source and GSK-3 substrate in the p...				US Patent US8686042 (2014) BindingDB Entry DOI: 10.7270/Q2H993V7
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM9030 ((2E)-N-{6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-y...) Show SMILES Clc1ccc2c(NCCCCCCNC(=O)\C=C\c3c[nH]c4ccccc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C30H33ClN4O/c31-22-14-15-25-28(19-22)35-27-12-6-4-10-24(27)30(25)33-18-8-2-1-7-17-32-29(36)16-13-21-20-34-26-11-5-3-9-23(21)26/h3,5,9,11,13-16,19-20,34H,1-2,4,6-8,10,12,17-18H2,(H,32,36)(H,33,35)/b16-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	8.0	30
Neuropharma					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 5 min with ...				J Med Chem 48: 7223-33 (2005) Article DOI: 10.1021/jm0503289 BindingDB Entry DOI: 10.7270/Q2QN64Z5
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM9033 (1H-Indole-3-carboxylic Acid [7-(6-Chloro-1,2,3,4-t...) Show SMILES Clc1ccc2c(NCCCCCCCNC(=O)c3c[nH]c4ccccc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C29H33ClN4O/c30-20-14-15-23-27(18-20)34-26-13-7-5-11-22(26)28(23)31-16-8-2-1-3-9-17-32-29(35)24-19-33-25-12-6-4-10-21(24)25/h4,6,10,12,14-15,18-19,33H,1-3,5,7-9,11,13,16-17H2,(H,31,34)(H,32,35)	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	19	n/a	n/a	n/a	n/a	n/a	n/a
Neuropharma					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 5 min with ...				J Med Chem 48: 7223-33 (2005) Article DOI: 10.1021/jm0503289 BindingDB Entry DOI: 10.7270/Q2QN64Z5
					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	8.0	30
Neuropharma					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 10 min with...				Bioorg Med Chem 13: 6588-97 (2005) Article DOI: 10.1016/j.bmc.2005.09.029 BindingDB Entry DOI: 10.7270/Q2G73BW9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Bos taurus (bovine))	BDBM9066 (Donepezil-tacrine hybrid 11 | N-[7-(6-Chloro-1,2,3...) Show SMILES Clc1ccc2c(NCCCCCCCNC(=O)CN3C(=O)c4ccccc4C3=O)c3CCCCc3nc2c1 Show InChI InChI=1S/C30H33ClN4O3/c31-20-14-15-24-26(18-20)34-25-13-7-6-12-23(25)28(24)33-17-9-3-1-2-8-16-32-27(36)19-35-29(37)21-10-4-5-11-22(21)30(35)38/h4-5,10-11,14-15,18H,1-3,6-9,12-13,16-17,19H2,(H,32,36)(H,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	8.0	30
Neuropharma					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 10 min with...				Bioorg Med Chem 13: 6588-97 (2005) Article DOI: 10.1016/j.bmc.2005.09.029 BindingDB Entry DOI: 10.7270/Q2G73BW9
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM9028 (Indole-Tacrine Heterodimer 11 | N-(3-{[3-(6-Chloro...) Show SMILES CN(CCCNC(=O)CCc1c[nH]c2ccccc12)CCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C31H38ClN5O/c1-37(18-6-16-33-30(38)15-12-22-21-35-27-10-4-2-8-24(22)27)19-7-17-34-31-25-9-3-5-11-28(25)36-29-20-23(32)13-14-26(29)31/h2,4,8,10,13-14,20-21,35H,3,5-7,9,11-12,15-19H2,1H3,(H,33,38)(H,34,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	21.4	n/a	n/a	n/a	n/a	n/a	n/a
Neuropharma					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 5 min with ...				J Med Chem 48: 7223-33 (2005) Article DOI: 10.1021/jm0503289 BindingDB Entry DOI: 10.7270/Q2QN64Z5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM9026 (Indole-Tacrine Heterodimer 9 | N-[10-(6-Chloro-1,2...) Show SMILES Clc1ccc2c(NCCCCCCCCCCNC(=O)CCc3c[nH]c4ccccc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C34H43ClN4O/c35-26-18-19-29-32(23-26)39-31-16-10-8-14-28(31)34(29)37-22-12-6-4-2-1-3-5-11-21-36-33(40)20-17-25-24-38-30-15-9-7-13-27(25)30/h7,9,13,15,18-19,23-24,38H,1-6,8,10-12,14,16-17,20-22H2,(H,36,40)(H,37,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21.9	n/a	n/a	n/a	n/a	8.0	30
Neuropharma					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 5 min with ...				J Med Chem 48: 7223-33 (2005) Article DOI: 10.1021/jm0503289 BindingDB Entry DOI: 10.7270/Q2QN64Z5
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM9034 (1H-Indole-3-carboxylic Acid [8-(6-Chloro-1,2,3,4-t...) Show SMILES Clc1ccc2c(NCCCCCCCCNC(=O)c3c[nH]c4ccccc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C30H35ClN4O/c31-21-15-16-24-28(19-21)35-27-14-8-6-12-23(27)29(24)32-17-9-3-1-2-4-10-18-33-30(36)25-20-34-26-13-7-5-11-22(25)26/h5,7,11,13,15-16,19-20,34H,1-4,6,8-10,12,14,17-18H2,(H,32,35)(H,33,36)	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	22.4	n/a	n/a	n/a	n/a	n/a	n/a
Neuropharma					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 5 min with ...				J Med Chem 48: 7223-33 (2005) Article DOI: 10.1021/jm0503289 BindingDB Entry DOI: 10.7270/Q2QN64Z5
					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	24	n/a	n/a	n/a	n/a	n/a	n/a
Neuropharma					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 5 min with ...				J Med Chem 48: 7223-33 (2005) Article DOI: 10.1021/jm0503289 BindingDB Entry DOI: 10.7270/Q2QN64Z5
					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
Neuropharma					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 10 min with...				Bioorg Med Chem 13: 6588-97 (2005) Article DOI: 10.1016/j.bmc.2005.09.029 BindingDB Entry DOI: 10.7270/Q2G73BW9
					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	8.0	30
Neuropharma					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 10 min with...				Bioorg Med Chem 13: 6588-97 (2005) Article DOI: 10.1016/j.bmc.2005.09.029 BindingDB Entry DOI: 10.7270/Q2G73BW9
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM9069 (2-[8-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-octyl]...) Show SMILES O=C1N(CCCCCCCCNc2c3CCCCc3nc3ccccc23)C(=O)c2ccccc12 Show InChI InChI=1S/C29H33N3O2/c33-28-21-13-5-6-14-22(21)29(34)32(28)20-12-4-2-1-3-11-19-30-27-23-15-7-9-17-25(23)31-26-18-10-8-16-24(26)27/h5-7,9,13-15,17H,1-4,8,10-12,16,18-20H2,(H,30,31)	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	29	n/a	n/a	n/a	n/a	n/a	n/a
Neuropharma					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 10 min with...				Bioorg Med Chem 13: 6588-97 (2005) Article DOI: 10.1016/j.bmc.2005.09.029 BindingDB Entry DOI: 10.7270/Q2G73BW9
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM9032 (1H-Indole-3-carboxylic Acid [6-(6-Chloro-1,2,3,4-t...) Show SMILES Clc1ccc2c(NCCCCCCNC(=O)c3c[nH]c4ccccc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C28H31ClN4O/c29-19-13-14-22-26(17-19)33-25-12-6-4-10-21(25)27(22)30-15-7-1-2-8-16-31-28(34)23-18-32-24-11-5-3-9-20(23)24/h3,5,9,11,13-14,17-18,32H,1-2,4,6-8,10,12,15-16H2,(H,30,33)(H,31,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	8.0	30
Neuropharma					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 5 min with ...				J Med Chem 48: 7223-33 (2005) Article DOI: 10.1021/jm0503289 BindingDB Entry DOI: 10.7270/Q2QN64Z5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM9033 (1H-Indole-3-carboxylic Acid [7-(6-Chloro-1,2,3,4-t...) Show SMILES Clc1ccc2c(NCCCCCCCNC(=O)c3c[nH]c4ccccc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C29H33ClN4O/c30-20-14-15-23-27(18-20)34-26-13-7-5-11-22(26)28(23)31-16-8-2-1-3-9-17-32-29(35)24-19-33-25-12-6-4-10-21(24)25/h4,6,10,12,14-15,18-19,33H,1-3,5,7-9,11,13,16-17H2,(H,31,34)(H,32,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	8.0	30
Neuropharma					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 5 min with ...				J Med Chem 48: 7223-33 (2005) Article DOI: 10.1021/jm0503289 BindingDB Entry DOI: 10.7270/Q2QN64Z5
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM119689 (US8686042, 1-Benzo[1,3]dioxol-5-yl-3-benzyl-urea) Show SMILES O=C(NCc1ccccc1)Nc1ccc2OCOc2c1 Show InChI InChI=1S/C15H14N2O3/c18-15(16-9-11-4-2-1-3-5-11)17-12-6-7-13-14(8-12)20-10-19-13/h1-8H,9-10H2,(H2,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	38.4	n/a	n/a	n/a	n/a	7.3	30
Neuropharma, S.A. US Patent					Assay Description The GSK-3β activity was determined by incubation of a mixture of recombinant human GSK-3 enzyme, a phosphate source and GSK-3 substrate in the p...				US Patent US8686042 (2014) BindingDB Entry DOI: 10.7270/Q2H993V7
					More data for this Ligand-Target Pair

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