Compile Data Set for Download or QSAR

Found 288 hits with Last Name = 'holas' and Initial = 'o'   

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))	BDBM50262988 (CHEMBL1200541 | N-(2-chlorobenzyl)-2-(2-(2-((2-chl...) Show SMILES CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)Cc1ccccc1Cl)Cc1ccccc1Cl Show InChI InChI=1S/C28H40Cl2N4O2/c1-5-33(6-2,21-23-13-9-11-15-25(23)29)19-17-31-27(35)28(36)32-18-20-34(7-3,8-4)22-24-14-10-12-16-26(24)30/h9-16H,5-8,17-22H2,1-4H3/p+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Charles University Curated by ChEMBL					Assay Description Inhibition of human erythrocytes recombinant AChE assessed as dissociation constant for enzyme-inhibitor complex				Bioorg Med Chem Lett 21: 2505-9 (2011) Article DOI: 10.1016/j.bmcl.2011.02.047 BindingDB Entry DOI: 10.7270/Q2JW8F6N
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50336116 (Ambenonium dichloride | CHEMBL1669479) Show SMILES C[N+](C)(CCNC(=O)C(=O)NCC[N+](C)(C)Cc1ccccc1Cl)Cc1ccccc1Cl Show InChI InChI=1S/C24H32Cl2N4O2/c1-29(2,17-19-9-5-7-11-21(19)25)15-13-27-23(31)24(32)28-14-16-30(3,4)18-20-10-6-8-12-22(20)26/h5-12H,13-18H2,1-4H3/p+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Dissociation constant for enzyme-inhibitor complex of human recombinant AChE by Lineweaver-Burk plot analysis				Eur J Med Chem 46: 811-8 (2011) Article DOI: 10.1016/j.ejmech.2010.12.011 BindingDB Entry DOI: 10.7270/Q2PR7W8D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50336116 (Ambenonium dichloride | CHEMBL1669479) Show SMILES C[N+](C)(CCNC(=O)C(=O)NCC[N+](C)(C)Cc1ccccc1Cl)Cc1ccccc1Cl Show InChI InChI=1S/C24H32Cl2N4O2/c1-29(2,17-19-9-5-7-11-21(19)25)15-13-27-23(31)24(32)28-14-16-30(3,4)18-20-10-6-8-12-22(20)26/h5-12H,13-18H2,1-4H3/p+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Dissociation constant for enzyme-inhibitor-substrate complex of human recombinant AChE by Lineweaver-Burk plot analysis				Eur J Med Chem 46: 811-8 (2011) Article DOI: 10.1016/j.ejmech.2010.12.011 BindingDB Entry DOI: 10.7270/Q2PR7W8D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50262988 (CHEMBL1200541 | N-(2-chlorobenzyl)-2-(2-(2-((2-chl...) Show SMILES CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)Cc1ccccc1Cl)Cc1ccccc1Cl Show InChI InChI=1S/C28H40Cl2N4O2/c1-5-33(6-2,21-23-13-9-11-15-25(23)29)19-17-31-27(35)28(36)32-18-20-34(7-3,8-4)22-24-14-10-12-16-26(24)30/h9-16H,5-8,17-22H2,1-4H3/p+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Charles University Curated by ChEMBL					Assay Description Inhibition of human erythrocytes recombinant AChE assessed as dissociation constant for enzyme-inhibitor-substrate complex				Bioorg Med Chem Lett 21: 2505-9 (2011) Article DOI: 10.1016/j.bmcl.2011.02.047 BindingDB Entry DOI: 10.7270/Q2JW8F6N
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10624 (1,5-bis(4-allyldimethylammoniumphenyl)-pentan-3-on...) Show SMILES C[N+](C)(CC=C)c1ccc(CCC(=O)CCc2ccc(cc2)[N+](C)(C)CC=C)cc1 Show InChI InChI=1S/C27H38N2O/c1-7-21-28(3,4)25-15-9-23(10-16-25)13-19-27(30)20-14-24-11-17-26(18-12-24)29(5,6)22-8-2/h7-12,15-18H,1-2,13-14,19-22H2,3-6H3/q+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Charles University Curated by ChEMBL					Assay Description Inhibition of human erythrocytes recombinant AChE assessed as dissociation constant for enzyme-inhibitor complex				Bioorg Med Chem Lett 21: 2505-9 (2011) Article DOI: 10.1016/j.bmcl.2011.02.047 BindingDB Entry DOI: 10.7270/Q2JW8F6N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM10624 (1,5-bis(4-allyldimethylammoniumphenyl)-pentan-3-on...) Show SMILES C[N+](C)(CC=C)c1ccc(CCC(=O)CCc2ccc(cc2)[N+](C)(C)CC=C)cc1 Show InChI InChI=1S/C27H38N2O/c1-7-21-28(3,4)25-15-9-23(10-16-25)13-19-27(30)20-14-24-11-17-26(18-12-24)29(5,6)22-8-2/h7-12,15-18H,1-2,13-14,19-22H2,3-6H3/q+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor complex by Lineweaver-Burk plot				Bioorg Med Chem Lett 21: 150-4 (2010) Article DOI: 10.1016/j.bmcl.2010.11.051 BindingDB Entry DOI: 10.7270/Q2542PK6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM10624 (1,5-bis(4-allyldimethylammoniumphenyl)-pentan-3-on...) Show SMILES C[N+](C)(CC=C)c1ccc(CCC(=O)CCc2ccc(cc2)[N+](C)(C)CC=C)cc1 Show InChI InChI=1S/C27H38N2O/c1-7-21-28(3,4)25-15-9-23(10-16-25)13-19-27(30)20-14-24-11-17-26(18-12-24)29(5,6)22-8-2/h7-12,15-18H,1-2,13-14,19-22H2,3-6H3/q+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Dissociation constant for enzyme-inhibitor complex of human recombinant AChE by Lineweaver-Burk plot analysis				Eur J Med Chem 46: 811-8 (2011) Article DOI: 10.1016/j.ejmech.2010.12.011 BindingDB Entry DOI: 10.7270/Q2PR7W8D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50119798 (1,11-bis(pyridinium)-undecane dibromide | 1,11-di(...) Show SMILES C(CCCCC[n+]1ccccc1)CCCCC[n+]1ccccc1 Show InChI InChI=1S/C21H32N2/c1(2-4-6-10-16-22-18-12-8-13-19-22)3-5-7-11-17-23-20-14-9-15-21-23/h8-9,12-15,18-21H,1-7,10-11,16-17H2/q+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Military Health Sciences Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE after 5 mins by noncompetitive Lineweaver-burk plot analysis for enzyme-inhibitor complex				Bioorg Med Chem Lett 20: 1763-6 (2010) Article DOI: 10.1016/j.bmcl.2010.01.034 BindingDB Entry DOI: 10.7270/Q2BK1CGS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50119798 (1,11-bis(pyridinium)-undecane dibromide | 1,11-di(...) Show SMILES C(CCCCC[n+]1ccccc1)CCCCC[n+]1ccccc1 Show InChI InChI=1S/C21H32N2/c1(2-4-6-10-16-22-18-12-8-13-19-22)3-5-7-11-17-23-20-14-9-15-21-23/h8-9,12-15,18-21H,1-7,10-11,16-17H2/q+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Military Health Sciences Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE after 5 mins by noncompetitive Lineweaver-burk plot analysis				Bioorg Med Chem Lett 20: 1763-6 (2010) Article DOI: 10.1016/j.bmcl.2010.01.034 BindingDB Entry DOI: 10.7270/Q2BK1CGS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50119797 (1,1'-(decane-1,10-diyl)diquinolinium iodide | 1,10...) Show SMILES C(CCCCC[n+]1cccc2ccccc12)CCCC[n+]1cccc2ccccc12 Show InChI InChI=1S/C28H34N2/c1(3-5-11-21-29-23-13-17-25-15-7-9-19-27(25)29)2-4-6-12-22-30-24-14-18-26-16-8-10-20-28(26)30/h7-10,13-20,23-24H,1-6,11-12,21-22H2/q+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Charles University Curated by ChEMBL					Assay Description Inhibition of human erythrocytes recombinant AChE assessed as dissociation constant for enzyme-inhibitor complex				Bioorg Med Chem Lett 21: 2505-9 (2011) Article DOI: 10.1016/j.bmcl.2011.02.047 BindingDB Entry DOI: 10.7270/Q2JW8F6N
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10624 (1,5-bis(4-allyldimethylammoniumphenyl)-pentan-3-on...) Show SMILES C[N+](C)(CC=C)c1ccc(CCC(=O)CCc2ccc(cc2)[N+](C)(C)CC=C)cc1 Show InChI InChI=1S/C27H38N2O/c1-7-21-28(3,4)25-15-9-23(10-16-25)13-19-27(30)20-14-24-11-17-26(18-12-24)29(5,6)22-8-2/h7-12,15-18H,1-2,13-14,19-22H2,3-6H3/q+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Charles University Curated by ChEMBL					Assay Description Inhibition of human erythrocytes recombinant AChE assessed as dissociation constant for enzyme-inhibitor-substrate complex				Bioorg Med Chem Lett 21: 2505-9 (2011) Article DOI: 10.1016/j.bmcl.2011.02.047 BindingDB Entry DOI: 10.7270/Q2JW8F6N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholinesterase (Homo sapiens (Human))	BDBM10624 (1,5-bis(4-allyldimethylammoniumphenyl)-pentan-3-on...) Show SMILES C[N+](C)(CC=C)c1ccc(CCC(=O)CCc2ccc(cc2)[N+](C)(C)CC=C)cc1 Show InChI InChI=1S/C27H38N2O/c1-7-21-28(3,4)25-15-9-23(10-16-25)13-19-27(30)20-14-24-11-17-26(18-12-24)29(5,6)22-8-2/h7-12,15-18H,1-2,13-14,19-22H2,3-6H3/q+2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor-substrate complex by Lineweaver-Burk plot				Bioorg Med Chem Lett 21: 150-4 (2010) Article DOI: 10.1016/j.bmcl.2010.11.051 BindingDB Entry DOI: 10.7270/Q2542PK6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10624 (1,5-bis(4-allyldimethylammoniumphenyl)-pentan-3-on...) Show SMILES C[N+](C)(CC=C)c1ccc(CCC(=O)CCc2ccc(cc2)[N+](C)(C)CC=C)cc1 Show InChI InChI=1S/C27H38N2O/c1-7-21-28(3,4)25-15-9-23(10-16-25)13-19-27(30)20-14-24-11-17-26(18-12-24)29(5,6)22-8-2/h7-12,15-18H,1-2,13-14,19-22H2,3-6H3/q+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Dissociation constant for enzyme-inhibitor-substrate complex of human recombinant AChE by Lineweaver-Burk plot analysis				Eur J Med Chem 46: 811-8 (2011) Article DOI: 10.1016/j.ejmech.2010.12.011 BindingDB Entry DOI: 10.7270/Q2PR7W8D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50119797 (1,1'-(decane-1,10-diyl)diquinolinium iodide | 1,10...) Show SMILES C(CCCCC[n+]1cccc2ccccc12)CCCC[n+]1cccc2ccccc12 Show InChI InChI=1S/C28H34N2/c1(3-5-11-21-29-23-13-17-25-15-7-9-19-27(25)29)2-4-6-12-22-30-24-14-18-26-16-8-10-20-28(26)30/h7-10,13-20,23-24H,1-6,11-12,21-22H2/q+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Charles University Curated by ChEMBL					Assay Description Inhibition of human erythrocytes recombinant AChE assessed as dissociation constant for enzyme-inhibitor-substrate complex				Bioorg Med Chem Lett 21: 2505-9 (2011) Article DOI: 10.1016/j.bmcl.2011.02.047 BindingDB Entry DOI: 10.7270/Q2JW8F6N
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50334300 (1,8-bis(4-tert.butylpyridinium)-oct-1,8-diyl dibro...) Show SMILES CC(C)(C)c1cc[n+](CCCCCCCC[n+]2ccc(cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C26H42N2/c1-25(2,3)23-13-19-27(20-14-23)17-11-9-7-8-10-12-18-28-21-15-24(16-22-28)26(4,5)6/h13-16,19-22H,7-12,17-18H2,1-6H3/q+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor complex by Lineweaver-Burk plot				Bioorg Med Chem Lett 21: 150-4 (2010) Article DOI: 10.1016/j.bmcl.2010.11.051 BindingDB Entry DOI: 10.7270/Q2542PK6
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50334303 (1,1'-bis(4-tert.butylpyridinium)-naphtyl-3,6-dimet...) Show SMILES CC(C)(C)c1cc[n+](\C=C2\CC3=C\C(CC=C3C=C2)=C\[n+]2ccc(cc2)C(C)(C)C)cc1 |c:15,18,t:11| Show InChI InChI=1S/C30H36N2/c1-29(2,3)27-11-15-31(16-12-27)21-23-7-9-25-10-8-24(20-26(25)19-23)22-32-17-13-28(14-18-32)30(4,5)6/h7,9-18,20-22H,8,19H2,1-6H3/q+2/b23-21+,24-22+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor-substrate complex by Lineweaver-Burk plot				Bioorg Med Chem Lett 21: 150-4 (2010) Article DOI: 10.1016/j.bmcl.2010.11.051 BindingDB Entry DOI: 10.7270/Q2542PK6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50334303 (1,1'-bis(4-tert.butylpyridinium)-naphtyl-3,6-dimet...) Show SMILES CC(C)(C)c1cc[n+](\C=C2\CC3=C\C(CC=C3C=C2)=C\[n+]2ccc(cc2)C(C)(C)C)cc1 |c:15,18,t:11| Show InChI InChI=1S/C30H36N2/c1-29(2,3)27-11-15-31(16-12-27)21-23-7-9-25-10-8-24(20-26(25)19-23)22-32-17-13-28(14-18-32)30(4,5)6/h7,9-18,20-22H,8,19H2,1-6H3/q+2/b23-21+,24-22+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor complex by Lineweaver-Burk plot				Bioorg Med Chem Lett 21: 150-4 (2010) Article DOI: 10.1016/j.bmcl.2010.11.051 BindingDB Entry DOI: 10.7270/Q2542PK6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50313093 (1,1'-bis(pyridinium)-naphtyl-3,6-dimethylene dibro...) Show SMILES C(c1ccc2ccc(C[n+]3ccccc3)cc2c1)[n+]1ccccc1 Show InChI InChI=1S/C22H20N2/c1-3-11-23(12-4-1)17-19-7-9-21-10-8-20(16-22(21)15-19)18-24-13-5-2-6-14-24/h1-16H,17-18H2/q+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Military Health Sciences Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE after 5 mins by noncompetitive Lineweaver-burk plot analysis for enzyme-inhibitor complex				Bioorg Med Chem Lett 20: 1763-6 (2010) Article DOI: 10.1016/j.bmcl.2010.01.034 BindingDB Entry DOI: 10.7270/Q2BK1CGS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50313093 (1,1'-bis(pyridinium)-naphtyl-3,6-dimethylene dibro...) Show SMILES C(c1ccc2ccc(C[n+]3ccccc3)cc2c1)[n+]1ccccc1 Show InChI InChI=1S/C22H20N2/c1-3-11-23(12-4-1)17-19-7-9-21-10-8-20(16-22(21)15-19)18-24-13-5-2-6-14-24/h1-16H,17-18H2/q+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Military Health Sciences Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE after 5 mins by noncompetitive Lineweaver-burk plot analysis				Bioorg Med Chem Lett 20: 1763-6 (2010) Article DOI: 10.1016/j.bmcl.2010.01.034 BindingDB Entry DOI: 10.7270/Q2BK1CGS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50334300 (1,8-bis(4-tert.butylpyridinium)-oct-1,8-diyl dibro...) Show SMILES CC(C)(C)c1cc[n+](CCCCCCCC[n+]2ccc(cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C26H42N2/c1-25(2,3)23-13-19-27(20-14-23)17-11-9-7-8-10-12-18-28-21-15-24(16-22-28)26(4,5)6/h13-16,19-22H,7-12,17-18H2,1-6H3/q+2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor-substrate complex by Lineweaver-Burk plot				Bioorg Med Chem Lett 21: 150-4 (2010) Article DOI: 10.1016/j.bmcl.2010.11.051 BindingDB Entry DOI: 10.7270/Q2542PK6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50119786 (1,8-di(2-isoquinoliniumyl)octane; with diiodide io...) Show SMILES C(CCCC[n+]1ccc2ccccc2c1)CCC[n+]1ccc2ccccc2c1 Show InChI InChI=1S/C26H30N2/c1(3-9-17-27-19-15-23-11-5-7-13-25(23)21-27)2-4-10-18-28-20-16-24-12-6-8-14-26(24)22-28/h5-8,11-16,19-22H,1-4,9-10,17-18H2/q+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Dissociation constant for enzyme-inhibitor complex of human recombinant AChE by Lineweaver-Burk plot analysis				Eur J Med Chem 46: 811-8 (2011) Article DOI: 10.1016/j.ejmech.2010.12.011 BindingDB Entry DOI: 10.7270/Q2PR7W8D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50336130 (1,10-Bis(isoquinolinium)-naphtyl-3,6-dimethylenyld...) Show SMILES C(c1ccc2ccc(C[n+]3ccc4ccccc4c3)cc2c1)[n+]1ccc2ccccc2c1 Show InChI InChI=1S/C30H24N2/c1-3-7-28-21-31(15-13-25(28)5-1)19-23-9-11-27-12-10-24(18-30(27)17-23)20-32-16-14-26-6-2-4-8-29(26)22-32/h1-18,21-22H,19-20H2/q+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Dissociation constant for enzyme-inhibitor-substrate complex of human recombinant AChE by Lineweaver-Burk plot analysis				Eur J Med Chem 46: 811-8 (2011) Article DOI: 10.1016/j.ejmech.2010.12.011 BindingDB Entry DOI: 10.7270/Q2PR7W8D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM120262 (EDROPHONIUM BROMIDE | EDROPHONIUM CHLORIDE | Edrop...) Show SMILES CC[N+](C)(C)c1cccc(O)c1 Show InChI InChI=1S/C10H15NO/c1-4-11(2,3)9-6-5-7-10(12)8-9/h5-8H,4H2,1-3H3/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Dissociation constant for enzyme-inhibitor complex of human recombinant AChE by Lineweaver-Burk plot analysis				Eur J Med Chem 46: 811-8 (2011) Article DOI: 10.1016/j.ejmech.2010.12.011 BindingDB Entry DOI: 10.7270/Q2PR7W8D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM120262 (EDROPHONIUM BROMIDE | EDROPHONIUM CHLORIDE | Edrop...) Show SMILES CC[N+](C)(C)c1cccc(O)c1 Show InChI InChI=1S/C10H15NO/c1-4-11(2,3)9-6-5-7-10(12)8-9/h5-8H,4H2,1-3H3/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Charles University Curated by ChEMBL					Assay Description Inhibition of human erythrocytes recombinant AChE assessed as dissociation constant for enzyme-inhibitor complex				Bioorg Med Chem Lett 21: 2505-9 (2011) Article DOI: 10.1016/j.bmcl.2011.02.047 BindingDB Entry DOI: 10.7270/Q2JW8F6N
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50119786 (1,8-di(2-isoquinoliniumyl)octane; with diiodide io...) Show SMILES C(CCCC[n+]1ccc2ccccc2c1)CCC[n+]1ccc2ccccc2c1 Show InChI InChI=1S/C26H30N2/c1(3-9-17-27-19-15-23-11-5-7-13-25(23)21-27)2-4-10-18-28-20-16-24-12-6-8-14-26(24)22-28/h5-8,11-16,19-22H,1-4,9-10,17-18H2/q+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	980	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Dissociation constant for enzyme-inhibitor-substrate complex of human recombinant AChE by Lineweaver-Burk plot analysis				Eur J Med Chem 46: 811-8 (2011) Article DOI: 10.1016/j.ejmech.2010.12.011 BindingDB Entry DOI: 10.7270/Q2PR7W8D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50336130 (1,10-Bis(isoquinolinium)-naphtyl-3,6-dimethylenyld...) Show SMILES C(c1ccc2ccc(C[n+]3ccc4ccccc4c3)cc2c1)[n+]1ccc2ccccc2c1 Show InChI InChI=1S/C30H24N2/c1-3-7-28-21-31(15-13-25(28)5-1)19-23-9-11-27-12-10-24(18-30(27)17-23)20-32-16-14-26-6-2-4-8-29(26)22-32/h1-18,21-22H,19-20H2/q+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Dissociation constant for enzyme-inhibitor complex of human recombinant AChE by Lineweaver-Burk plot analysis				Eur J Med Chem 46: 811-8 (2011) Article DOI: 10.1016/j.ejmech.2010.12.011 BindingDB Entry DOI: 10.7270/Q2PR7W8D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50339942 (1,1'-(naphthalene-2,7-diylbis(methylene))diquinoli...) Show SMILES C(c1ccc2ccc(C[n+]3cccc4ccccc34)cc2c1)[n+]1cccc2ccccc12 Show InChI InChI=1S/C30H24N2/c1-3-11-29-26(7-1)9-5-17-31(29)21-23-13-15-25-16-14-24(20-28(25)19-23)22-32-18-6-10-27-8-2-4-12-30(27)32/h1-20H,21-22H2/q+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Charles University Curated by ChEMBL					Assay Description Inhibition of human erythrocytes recombinant AChE assessed as dissociation constant for enzyme-inhibitor complex				Bioorg Med Chem Lett 21: 2505-9 (2011) Article DOI: 10.1016/j.bmcl.2011.02.047 BindingDB Entry DOI: 10.7270/Q2JW8F6N
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM120262 (EDROPHONIUM BROMIDE | EDROPHONIUM CHLORIDE | Edrop...) Show SMILES CC[N+](C)(C)c1cccc(O)c1 Show InChI InChI=1S/C10H15NO/c1-4-11(2,3)9-6-5-7-10(12)8-9/h5-8H,4H2,1-3H3/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Dissociation constant for enzyme-inhibitor-substrate complex of human recombinant AChE by Lineweaver-Burk plot analysis				Eur J Med Chem 46: 811-8 (2011) Article DOI: 10.1016/j.ejmech.2010.12.011 BindingDB Entry DOI: 10.7270/Q2PR7W8D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM120262 (EDROPHONIUM BROMIDE | EDROPHONIUM CHLORIDE | Edrop...) Show SMILES CC[N+](C)(C)c1cccc(O)c1 Show InChI InChI=1S/C10H15NO/c1-4-11(2,3)9-6-5-7-10(12)8-9/h5-8H,4H2,1-3H3/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Charles University Curated by ChEMBL					Assay Description Inhibition of human erythrocytes recombinant AChE assessed as dissociation constant for enzyme-inhibitor-substrate complex				Bioorg Med Chem Lett 21: 2505-9 (2011) Article DOI: 10.1016/j.bmcl.2011.02.047 BindingDB Entry DOI: 10.7270/Q2JW8F6N
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50339942 (1,1'-(naphthalene-2,7-diylbis(methylene))diquinoli...) Show SMILES C(c1ccc2ccc(C[n+]3cccc4ccccc34)cc2c1)[n+]1cccc2ccccc12 Show InChI InChI=1S/C30H24N2/c1-3-11-29-26(7-1)9-5-17-31(29)21-23-13-15-25-16-14-24(20-28(25)19-23)22-32-18-6-10-27-8-2-4-12-30(27)32/h1-20H,21-22H2/q+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Charles University Curated by ChEMBL					Assay Description Inhibition of human erythrocytes recombinant AChE assessed as dissociation constant for enzyme-inhibitor-substrate complex				Bioorg Med Chem Lett 21: 2505-9 (2011) Article DOI: 10.1016/j.bmcl.2011.02.047 BindingDB Entry DOI: 10.7270/Q2JW8F6N
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM8958 (10-(2-diethylaminopropyl)phenothiazine | CHEMBL120...) Show SMILES CCN(CC)C(C)CN1c2ccccc2Sc2ccccc12 Show InChI InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3	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	Article PubMed	2.47E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Dissociation constant for enzyme-inhibitor complex of human recombinant AChE by Lineweaver-Burk plot analysis				Eur J Med Chem 46: 811-8 (2011) Article DOI: 10.1016/j.ejmech.2010.12.011 BindingDB Entry DOI: 10.7270/Q2PR7W8D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM8958 (10-(2-diethylaminopropyl)phenothiazine | CHEMBL120...) Show SMILES CCN(CC)C(C)CN1c2ccccc2Sc2ccccc12 Show InChI InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3	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	Article PubMed	2.47E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor complex by Lineweaver-Burk plot				Bioorg Med Chem Lett 21: 150-4 (2010) Article DOI: 10.1016/j.bmcl.2010.11.051 BindingDB Entry DOI: 10.7270/Q2542PK6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM8958 (10-(2-diethylaminopropyl)phenothiazine | CHEMBL120...) Show SMILES CCN(CC)C(C)CN1c2ccccc2Sc2ccccc12 Show InChI InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3	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	Article PubMed	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Charles University Curated by ChEMBL					Assay Description Inhibition of human erythrocytes recombinant AChE assessed as dissociation constant for enzyme-inhibitor complex				Bioorg Med Chem Lett 21: 2505-9 (2011) Article DOI: 10.1016/j.bmcl.2011.02.047 BindingDB Entry DOI: 10.7270/Q2JW8F6N
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM8958 (10-(2-diethylaminopropyl)phenothiazine | CHEMBL120...) Show SMILES CCN(CC)C(C)CN1c2ccccc2Sc2ccccc12 Show InChI InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3	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	Article PubMed	1.21E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Charles University Curated by ChEMBL					Assay Description Inhibition of human erythrocytes recombinant AChE assessed as dissociation constant for enzyme-inhibitor-substrate complex				Bioorg Med Chem Lett 21: 2505-9 (2011) Article DOI: 10.1016/j.bmcl.2011.02.047 BindingDB Entry DOI: 10.7270/Q2JW8F6N
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM8958 (10-(2-diethylaminopropyl)phenothiazine | CHEMBL120...) Show SMILES CCN(CC)C(C)CN1c2ccccc2Sc2ccccc12 Show InChI InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3	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	Article PubMed	1.21E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Dissociation constant for enzyme-inhibitor-substrate complex of human recombinant AChE by Lineweaver-Burk plot analysis				Eur J Med Chem 46: 811-8 (2011) Article DOI: 10.1016/j.ejmech.2010.12.011 BindingDB Entry DOI: 10.7270/Q2PR7W8D
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM8958 (10-(2-diethylaminopropyl)phenothiazine | CHEMBL120...) Show SMILES CCN(CC)C(C)CN1c2ccccc2Sc2ccccc12 Show InChI InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3	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	DrugBank PDB Article PubMed	1.21E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor-substrate complex by Lineweaver-Burk plot				Bioorg Med Chem Lett 21: 150-4 (2010) Article DOI: 10.1016/j.bmcl.2010.11.051 BindingDB Entry DOI: 10.7270/Q2542PK6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50336116 (Ambenonium dichloride | CHEMBL1669479) Show SMILES C[N+](C)(CCNC(=O)C(=O)NCC[N+](C)(C)Cc1ccccc1Cl)Cc1ccccc1Cl Show InChI InChI=1S/C24H32Cl2N4O2/c1-29(2,17-19-9-5-7-11-21(19)25)15-13-27-23(31)24(32)28-14-16-30(3,4)18-20-10-6-8-12-22(20)26/h5-12H,13-18H2,1-4H3/p+2	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	0.700	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE by Lineweaver-Burk plot analysis				Eur J Med Chem 46: 811-8 (2011) Article DOI: 10.1016/j.ejmech.2010.12.011 BindingDB Entry DOI: 10.7270/Q2PR7W8D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50262988 (CHEMBL1200541 | N-(2-chlorobenzyl)-2-(2-(2-((2-chl...) Show SMILES CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)Cc1ccccc1Cl)Cc1ccccc1Cl Show InChI InChI=1S/C28H40Cl2N4O2/c1-5-33(6-2,21-23-13-9-11-15-25(23)29)19-17-31-27(35)28(36)32-18-20-34(7-3,8-4)22-24-14-10-12-16-26(24)30/h9-16H,5-8,17-22H2,1-4H3/p+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Charles University Curated by ChEMBL					Assay Description Inhibition of human erythrocyte recombinant AChE by modified Ellman's method				Bioorg Med Chem Lett 21: 2505-9 (2011) Article DOI: 10.1016/j.bmcl.2011.02.047 BindingDB Entry DOI: 10.7270/Q2JW8F6N
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50119797 (1,1'-(decane-1,10-diyl)diquinolinium iodide | 1,10...) Show SMILES C(CCCCC[n+]1cccc2ccccc12)CCCC[n+]1cccc2ccccc12 Show InChI InChI=1S/C28H34N2/c1(3-5-11-21-29-23-13-17-25-15-7-9-19-27(25)29)2-4-6-12-22-30-24-14-18-26-16-8-10-20-28(26)30/h7-10,13-20,23-24H,1-6,11-12,21-22H2/q+2	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	n/a	n/a	n/a	n/a	n/a	n/a
Charles University Curated by ChEMBL					Assay Description Inhibition of human erythrocyte recombinant AChE by modified Ellman's method				Bioorg Med Chem Lett 21: 2505-9 (2011) Article DOI: 10.1016/j.bmcl.2011.02.047 BindingDB Entry DOI: 10.7270/Q2JW8F6N
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50119786 (1,8-di(2-isoquinoliniumyl)octane; with diiodide io...) Show SMILES C(CCCC[n+]1ccc2ccccc2c1)CCC[n+]1ccc2ccccc2c1 Show InChI InChI=1S/C26H30N2/c1(3-9-17-27-19-15-23-11-5-7-13-25(23)21-27)2-4-10-18-28-20-16-24-12-6-8-14-26(24)22-28/h5-8,11-16,19-22H,1-4,9-10,17-18H2/q+2	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	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE by Lineweaver-Burk plot analysis				Eur J Med Chem 46: 811-8 (2011) Article DOI: 10.1016/j.ejmech.2010.12.011 BindingDB Entry DOI: 10.7270/Q2PR7W8D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50334300 (1,8-bis(4-tert.butylpyridinium)-oct-1,8-diyl dibro...) Show SMILES CC(C)(C)c1cc[n+](CCCCCCCC[n+]2ccc(cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C26H42N2/c1-25(2,3)23-13-19-27(20-14-23)17-11-9-7-8-10-12-18-28-21-15-24(16-22-28)26(4,5)6/h13-16,19-22H,7-12,17-18H2,1-6H3/q+2	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	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE				Bioorg Med Chem Lett 21: 150-4 (2010) Article DOI: 10.1016/j.bmcl.2010.11.051 BindingDB Entry DOI: 10.7270/Q2542PK6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50304127 (1,12-Bis-(4-tert-butylpyridinium)dodecane dibromid...) Show SMILES CC(C)(C)c1cc[n+](CCCCCCCCCCCC[n+]2ccc(cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C30H50N2/c1-29(2,3)27-17-23-31(24-18-27)21-15-13-11-9-7-8-10-12-14-16-22-32-25-19-28(20-26-32)30(4,5)6/h17-20,23-26H,7-16,21-22H2,1-6H3/q+2	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	7	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE				Bioorg Med Chem Lett 21: 150-4 (2010) Article DOI: 10.1016/j.bmcl.2010.11.051 BindingDB Entry DOI: 10.7270/Q2542PK6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50119799 (1,11-di(1-quinoliniumyl)undecane; with dibromide i...) Show SMILES C(CCCCC[n+]1cccc2ccccc12)CCCCC[n+]1cccc2ccccc12 Show InChI InChI=1S/C29H36N2/c1(2-4-6-12-22-30-24-14-18-26-16-8-10-20-28(26)30)3-5-7-13-23-31-25-15-19-27-17-9-11-21-29(27)31/h8-11,14-21,24-25H,1-7,12-13,22-23H2/q+2	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	10	n/a	n/a	n/a	n/a	n/a	n/a
Charles University Curated by ChEMBL					Assay Description Inhibition of human erythrocyte recombinant AChE by modified Ellman's method				Bioorg Med Chem Lett 21: 2505-9 (2011) Article DOI: 10.1016/j.bmcl.2011.02.047 BindingDB Entry DOI: 10.7270/Q2JW8F6N
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50334301 (1,10-bis(4-tert.butylpyridinium)-dec-1,10-diyl dib...) Show SMILES CC(C)(C)c1cc[n+](CCCCCCCCCC[n+]2ccc(cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C28H46N2/c1-27(2,3)25-15-21-29(22-16-25)19-13-11-9-7-8-10-12-14-20-30-23-17-26(18-24-30)28(4,5)6/h15-18,21-24H,7-14,19-20H2,1-6H3/q+2	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	12	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE				Bioorg Med Chem Lett 21: 150-4 (2010) Article DOI: 10.1016/j.bmcl.2010.11.051 BindingDB Entry DOI: 10.7270/Q2542PK6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50334302 (1,7-bis(4-tert.butylpyridinium)-hept-1,7-diyl dibr...) Show SMILES CC(C)(C)c1cc[n+](CCCCCCC[n+]2ccc(cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C25H40N2/c1-24(2,3)22-12-18-26(19-13-22)16-10-8-7-9-11-17-27-20-14-23(15-21-27)25(4,5)6/h12-15,18-21H,7-11,16-17H2,1-6H3/q+2	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	16	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE				Bioorg Med Chem Lett 21: 150-4 (2010) Article DOI: 10.1016/j.bmcl.2010.11.051 BindingDB Entry DOI: 10.7270/Q2542PK6
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50334300 (1,8-bis(4-tert.butylpyridinium)-oct-1,8-diyl dibro...) Show SMILES CC(C)(C)c1cc[n+](CCCCCCCC[n+]2ccc(cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C26H42N2/c1-25(2,3)23-13-19-27(20-14-23)17-11-9-7-8-10-12-18-28-21-15-24(16-22-28)26(4,5)6/h13-16,19-22H,7-12,17-18H2,1-6H3/q+2	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	16	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Inhibition of human recombinant BChE				Bioorg Med Chem Lett 21: 150-4 (2010) Article DOI: 10.1016/j.bmcl.2010.11.051 BindingDB Entry DOI: 10.7270/Q2542PK6
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50304127 (1,12-Bis-(4-tert-butylpyridinium)dodecane dibromid...) Show SMILES CC(C)(C)c1cc[n+](CCCCCCCCCCCC[n+]2ccc(cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C30H50N2/c1-29(2,3)27-17-23-31(24-18-27)21-15-13-11-9-7-8-10-12-14-16-22-32-25-19-28(20-26-32)30(4,5)6/h17-20,23-26H,7-16,21-22H2,1-6H3/q+2	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	19	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Inhibition of human recombinant BChE				Bioorg Med Chem Lett 21: 150-4 (2010) Article DOI: 10.1016/j.bmcl.2010.11.051 BindingDB Entry DOI: 10.7270/Q2542PK6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50119789 (1,1'-(dodecane-1,12-diyl)diquinolinium bromide | 1...) Show SMILES C(CCCCCC[n+]1cccc2ccccc12)CCCCC[n+]1cccc2ccccc12 Show InChI InChI=1S/C30H38N2/c1(3-5-7-13-23-31-25-15-19-27-17-9-11-21-29(27)31)2-4-6-8-14-24-32-26-16-20-28-18-10-12-22-30(28)32/h9-12,15-22,25-26H,1-8,13-14,23-24H2/q+2	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	20	n/a	n/a	n/a	n/a	n/a	n/a
Charles University Curated by ChEMBL					Assay Description Inhibition of human erythrocyte recombinant AChE by modified Ellman's method				Bioorg Med Chem Lett 21: 2505-9 (2011) Article DOI: 10.1016/j.bmcl.2011.02.047 BindingDB Entry DOI: 10.7270/Q2JW8F6N
					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	23	n/a	n/a	n/a	n/a	n/a	n/a
Charles University in Prague Curated by ChEMBL					Assay Description Inhibition of human plasmatic BChE after 5 mins using spectrophotometer by Ellman's method				Bioorg Med Chem Lett 21: 6563-6 (2011) Article DOI: 10.1016/j.bmcl.2011.08.042 BindingDB Entry DOI: 10.7270/Q2HD7W2Q
					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	23	n/a	n/a	n/a	n/a	n/a	n/a
Charles University Curated by ChEMBL					Assay Description Inhibition of human plasmatic BChE after 5 mins				Bioorg Med Chem Lett 20: 6093-5 (2010) Article DOI: 10.1016/j.bmcl.2010.08.044 BindingDB Entry DOI: 10.7270/Q2K937RW
					More data for this Ligand-Target Pair				3D Structure (crystal)

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