Compile Data Set for Download or QSAR

Found 37 hits Enz. Inhib. hit(s) with all data for entry = 50044058   

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))	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
Charles University in Prague Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE by Lineweaver-Burk plot analysis				Bioorg Med Chem Lett 23: 6663-6 (2013) Article DOI: 10.1016/j.bmcl.2013.10.043 BindingDB Entry DOI: 10.7270/Q2ZG6TR6
					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
Charles University in Prague Curated by ChEMBL					Assay Description Non competitive inhibition of human recombinant AChE using ATChCl as substrate by Lineweaver-Burk plot analysis				Bioorg Med Chem Lett 23: 6663-6 (2013) Article DOI: 10.1016/j.bmcl.2013.10.043 BindingDB Entry DOI: 10.7270/Q2ZG6TR6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50005114 (CHEMBL3093804) Show SMILES [Br-].[Br-].C(CCCCCC[n+]1cccc2ccccc12)CCCCC[n+]1ccccc1 Show InChI InChI=1S/C26H36N2.2BrH/c1(3-5-7-12-20-27-21-13-9-14-22-27)2-4-6-8-15-23-28-24-16-18-25-17-10-11-19-26(25)28;;/h9-11,13-14,16-19,21-22,24H,1-8,12,15,20,23H2;2*1H/q+2;;/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	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Charles University in Prague Curated by ChEMBL					Assay Description Non competitive inhibition of human recombinant AChE using ATChCl as substrate by Lineweaver-Burk plot analysis				Bioorg Med Chem Lett 23: 6663-6 (2013) Article DOI: 10.1016/j.bmcl.2013.10.043 BindingDB Entry DOI: 10.7270/Q2ZG6TR6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50005114 (CHEMBL3093804) Show SMILES [Br-].[Br-].C(CCCCCC[n+]1cccc2ccccc12)CCCCC[n+]1ccccc1 Show InChI InChI=1S/C26H36N2.2BrH/c1(3-5-7-12-20-27-21-13-9-14-22-27)2-4-6-8-15-23-28-24-16-18-25-17-10-11-19-26(25)28;;/h9-11,13-14,16-19,21-22,24H,1-8,12,15,20,23H2;2*1H/q+2;;/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	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Charles University in Prague Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE by Lineweaver-Burk plot analysis				Bioorg Med Chem Lett 23: 6663-6 (2013) Article DOI: 10.1016/j.bmcl.2013.10.043 BindingDB Entry DOI: 10.7270/Q2ZG6TR6
					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 in Prague Curated by ChEMBL					Assay Description Non competitive inhibition of human recombinant AChE using ATChCl as substrate by Lineweaver-Burk plot analysis				Bioorg Med Chem Lett 23: 6663-6 (2013) Article DOI: 10.1016/j.bmcl.2013.10.043 BindingDB Entry DOI: 10.7270/Q2ZG6TR6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50005115 (CHEMBL3093802) Show SMILES [Br-].[Br-].C(CCCCC[n+]1cccc2ccccc12)CCCC[n+]1ccccc1 Show InChI InChI=1S/C24H32N2.2BrH/c1(3-5-10-18-25-19-11-7-12-20-25)2-4-6-13-21-26-22-14-16-23-15-8-9-17-24(23)26;;/h7-9,11-12,14-17,19-20,22H,1-6,10,13,18,21H2;2*1H/q+2;;/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	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Charles University in Prague Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE by Lineweaver-Burk plot analysis				Bioorg Med Chem Lett 23: 6663-6 (2013) Article DOI: 10.1016/j.bmcl.2013.10.043 BindingDB Entry DOI: 10.7270/Q2ZG6TR6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50005115 (CHEMBL3093802) Show SMILES [Br-].[Br-].C(CCCCC[n+]1cccc2ccccc12)CCCC[n+]1ccccc1 Show InChI InChI=1S/C24H32N2.2BrH/c1(3-5-10-18-25-19-11-7-12-20-25)2-4-6-13-21-26-22-14-16-23-15-8-9-17-24(23)26;;/h7-9,11-12,14-17,19-20,22H,1-6,10,13,18,21H2;2*1H/q+2;;/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	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Charles University in Prague Curated by ChEMBL					Assay Description Non competitive inhibition of human recombinant AChE using ATChCl as substrate by Lineweaver-Burk plot analysis				Bioorg Med Chem Lett 23: 6663-6 (2013) Article DOI: 10.1016/j.bmcl.2013.10.043 BindingDB Entry DOI: 10.7270/Q2ZG6TR6
					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	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Charles University in Prague Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE by Lineweaver-Burk plot analysis				Bioorg Med Chem Lett 23: 6663-6 (2013) Article DOI: 10.1016/j.bmcl.2013.10.043 BindingDB Entry DOI: 10.7270/Q2ZG6TR6
					More data for this Ligand-Target Pair				3D Structure (crystal)
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 in Prague Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant AChE using ATChCl as substrate by Lineweaver-Burk plot analysis				Bioorg Med Chem Lett 23: 6663-6 (2013) Article DOI: 10.1016/j.bmcl.2013.10.043 BindingDB Entry DOI: 10.7270/Q2ZG6TR6
					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	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Charles University in Prague Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE after 5 mins by Ellman's method				Bioorg Med Chem Lett 23: 6663-6 (2013) Article DOI: 10.1016/j.bmcl.2013.10.043 BindingDB Entry DOI: 10.7270/Q2ZG6TR6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50005114 (CHEMBL3093804) Show SMILES [Br-].[Br-].C(CCCCCC[n+]1cccc2ccccc12)CCCCC[n+]1ccccc1 Show InChI InChI=1S/C26H36N2.2BrH/c1(3-5-7-12-20-27-21-13-9-14-22-27)2-4-6-8-15-23-28-24-16-18-25-17-10-11-19-26(25)28;;/h9-11,13-14,16-19,21-22,24H,1-8,12,15,20,23H2;2*1H/q+2;;/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	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Charles University in Prague Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE after 5 mins by Ellman's method				Bioorg Med Chem Lett 23: 6663-6 (2013) Article DOI: 10.1016/j.bmcl.2013.10.043 BindingDB Entry DOI: 10.7270/Q2ZG6TR6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50005115 (CHEMBL3093802) Show SMILES [Br-].[Br-].C(CCCCC[n+]1cccc2ccccc12)CCCC[n+]1ccccc1 Show InChI InChI=1S/C24H32N2.2BrH/c1(3-5-10-18-25-19-11-7-12-20-25)2-4-6-13-21-26-22-14-16-23-15-8-9-17-24(23)26;;/h7-9,11-12,14-17,19-20,22H,1-6,10,13,18,21H2;2*1H/q+2;;/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	5	n/a	n/a	n/a	n/a	n/a	n/a
Charles University in Prague Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE after 5 mins by Ellman's method				Bioorg Med Chem Lett 23: 6663-6 (2013) Article DOI: 10.1016/j.bmcl.2013.10.043 BindingDB Entry DOI: 10.7270/Q2ZG6TR6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50005116 (CHEMBL3093803) Show SMILES [Br-].[Br-].C(CCCCC[n+]1ccccc1)CCCCC[n+]1cccc2ccccc12 Show InChI InChI=1S/C25H34N2.2BrH/c1(2-4-6-11-19-26-20-12-8-13-21-26)3-5-7-14-22-27-23-15-17-24-16-9-10-18-25(24)27;;/h8-10,12-13,15-18,20-21,23H,1-7,11,14,19,22H2;2*1H/q+2;;/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	17	n/a	n/a	n/a	n/a	n/a	n/a
Charles University in Prague Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE after 5 mins by Ellman's method				Bioorg Med Chem Lett 23: 6663-6 (2013) Article DOI: 10.1016/j.bmcl.2013.10.043 BindingDB Entry DOI: 10.7270/Q2ZG6TR6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50005181 (CHEMBL3093797) Show SMILES [Br-].[Br-].C(CCCCC[n+]1ccc2ccccc2c1)CCCC[n+]1ccccc1 Show InChI InChI=1S/C24H32N2.2BrH/c1(3-5-10-17-25-18-12-7-13-19-25)2-4-6-11-20-26-21-16-23-14-8-9-15-24(23)22-26;;/h7-9,12-16,18-19,21-22H,1-6,10-11,17,20H2;2*1H/q+2;;/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	20	n/a	n/a	n/a	n/a	n/a	n/a
Charles University in Prague Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE after 5 mins by Ellman's method				Bioorg Med Chem Lett 23: 6663-6 (2013) Article DOI: 10.1016/j.bmcl.2013.10.043 BindingDB Entry DOI: 10.7270/Q2ZG6TR6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50005180 (CHEMBL3093798) Show SMILES [Br-].[Br-].C(CCCCC[n+]1ccccc1)CCCCC[n+]1ccc2ccccc2c1 Show InChI InChI=1S/C25H34N2.2BrH/c1(2-4-6-11-18-26-19-13-8-14-20-26)3-5-7-12-21-27-22-17-24-15-9-10-16-25(24)23-27;;/h8-10,13-17,19-20,22-23H,1-7,11-12,18,21H2;2*1H/q+2;;/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	30	n/a	n/a	n/a	n/a	n/a	n/a
Charles University in Prague Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE after 5 mins by Ellman's method				Bioorg Med Chem Lett 23: 6663-6 (2013) Article DOI: 10.1016/j.bmcl.2013.10.043 BindingDB Entry DOI: 10.7270/Q2ZG6TR6
					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	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Charles University in Prague Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE after 5 mins by Ellman's method				Bioorg Med Chem Lett 23: 6663-6 (2013) Article DOI: 10.1016/j.bmcl.2013.10.043 BindingDB Entry DOI: 10.7270/Q2ZG6TR6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50005182 (CHEMBL3093796) Show SMILES [Br-].[Br-].C(CCCC[n+]1ccccc1)CCCC[n+]1ccc2ccccc2c1 Show InChI InChI=1S/C23H30N2.2BrH/c1(2-4-9-16-24-17-11-6-12-18-24)3-5-10-19-25-20-15-22-13-7-8-14-23(22)21-25;;/h6-8,11-15,17-18,20-21H,1-5,9-10,16,19H2;2*1H/q+2;;/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	40	n/a	n/a	n/a	n/a	n/a	n/a
Charles University in Prague Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE after 5 mins by Ellman's method				Bioorg Med Chem Lett 23: 6663-6 (2013) Article DOI: 10.1016/j.bmcl.2013.10.043 BindingDB Entry DOI: 10.7270/Q2ZG6TR6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50005119 (CHEMBL3093801) Show SMILES [Br-].[Br-].C(CCCC[n+]1ccccc1)CCCC[n+]1cccc2ccccc12 Show InChI InChI=1S/C23H30N2.2BrH/c1(2-4-9-17-24-18-10-6-11-19-24)3-5-12-20-25-21-13-15-22-14-7-8-16-23(22)25;;/h6-8,10-11,13-16,18-19,21H,1-5,9,12,17,20H2;2*1H/q+2;;/p-2	PDB MMDB NCI pathway 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	120	n/a	n/a	n/a	n/a	n/a	n/a
Charles University in Prague Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE after 5 mins by Ellman's method				Bioorg Med Chem Lett 23: 6663-6 (2013) Article DOI: 10.1016/j.bmcl.2013.10.043 BindingDB Entry DOI: 10.7270/Q2ZG6TR6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50005184 (CHEMBL3093795) Show SMILES [Br-].[Br-].C(CCCC[n+]1ccc2ccccc2c1)CCC[n+]1ccccc1 Show InChI InChI=1S/C22H28N2.2BrH/c1(3-8-15-23-16-10-5-11-17-23)2-4-9-18-24-19-14-21-12-6-7-13-22(21)20-24;;/h5-7,10-14,16-17,19-20H,1-4,8-9,15,18H2;2*1H/q+2;;/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	140	n/a	n/a	n/a	n/a	n/a	n/a
Charles University in Prague Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE after 5 mins by Ellman's method				Bioorg Med Chem Lett 23: 6663-6 (2013) Article DOI: 10.1016/j.bmcl.2013.10.043 BindingDB Entry DOI: 10.7270/Q2ZG6TR6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50005171 (CHEMBL3093800) Show SMILES [Br-].[Br-].C(CCCC[n+]1cccc2ccccc12)CCC[n+]1ccccc1 Show InChI InChI=1S/C22H28N2.2BrH/c1(3-8-16-23-17-9-5-10-18-23)2-4-11-19-24-20-12-14-21-13-6-7-15-22(21)24;;/h5-7,9-10,12-15,17-18,20H,1-4,8,11,16,19H2;2*1H/q+2;;/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	270	n/a	n/a	n/a	n/a	n/a	n/a
Charles University in Prague Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE after 5 mins by Ellman's method				Bioorg Med Chem Lett 23: 6663-6 (2013) Article DOI: 10.1016/j.bmcl.2013.10.043 BindingDB Entry DOI: 10.7270/Q2ZG6TR6
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50005182 (CHEMBL3093796) Show SMILES [Br-].[Br-].C(CCCC[n+]1ccccc1)CCCC[n+]1ccc2ccccc2c1 Show InChI InChI=1S/C23H30N2.2BrH/c1(2-4-9-16-24-17-11-6-12-18-24)3-5-10-19-25-20-15-22-13-7-8-14-23(22)21-25;;/h6-8,11-15,17-18,20-21H,1-5,9-10,16,19H2;2*1H/q+2;;/p-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	350	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 by Ellman's method				Bioorg Med Chem Lett 23: 6663-6 (2013) Article DOI: 10.1016/j.bmcl.2013.10.043 BindingDB Entry DOI: 10.7270/Q2ZG6TR6
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50005181 (CHEMBL3093797) Show SMILES [Br-].[Br-].C(CCCCC[n+]1ccc2ccccc2c1)CCCC[n+]1ccccc1 Show InChI InChI=1S/C24H32N2.2BrH/c1(3-5-10-17-25-18-12-7-13-19-25)2-4-6-11-20-26-21-16-23-14-8-9-15-24(23)22-26;;/h7-9,12-16,18-19,21-22H,1-6,10-11,17,20H2;2*1H/q+2;;/p-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	370	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 by Ellman's method				Bioorg Med Chem Lett 23: 6663-6 (2013) Article DOI: 10.1016/j.bmcl.2013.10.043 BindingDB Entry DOI: 10.7270/Q2ZG6TR6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50005179 (CHEMBL3093799) Show SMILES [Br-].[Br-].C(CCC[n+]1ccccc1)CCC[n+]1cccc2ccccc12 Show InChI InChI=1S/C21H26N2.2BrH/c1(2-7-15-22-16-8-4-9-17-22)3-10-18-23-19-11-13-20-12-5-6-14-21(20)23;;/h4-6,8-9,11-14,16-17,19H,1-3,7,10,15,18H2;2*1H/q+2;;/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	540	n/a	n/a	n/a	n/a	n/a	n/a
Charles University in Prague Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE after 5 mins by Ellman's method				Bioorg Med Chem Lett 23: 6663-6 (2013) Article DOI: 10.1016/j.bmcl.2013.10.043 BindingDB Entry DOI: 10.7270/Q2ZG6TR6
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50005114 (CHEMBL3093804) Show SMILES [Br-].[Br-].C(CCCCCC[n+]1cccc2ccccc12)CCCCC[n+]1ccccc1 Show InChI InChI=1S/C26H36N2.2BrH/c1(3-5-7-12-20-27-21-13-9-14-22-27)2-4-6-8-15-23-28-24-16-18-25-17-10-11-19-26(25)28;;/h9-11,13-14,16-19,21-22,24H,1-8,12,15,20,23H2;2*1H/q+2;;/p-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	680	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 by Ellman's method				Bioorg Med Chem Lett 23: 6663-6 (2013) Article DOI: 10.1016/j.bmcl.2013.10.043 BindingDB Entry DOI: 10.7270/Q2ZG6TR6
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50005180 (CHEMBL3093798) Show SMILES [Br-].[Br-].C(CCCCC[n+]1ccccc1)CCCCC[n+]1ccc2ccccc2c1 Show InChI InChI=1S/C25H34N2.2BrH/c1(2-4-6-11-18-26-19-13-8-14-20-26)3-5-7-12-21-27-22-17-24-15-9-10-16-25(24)23-27;;/h8-10,13-17,19-20,22-23H,1-7,11-12,18,21H2;2*1H/q+2;;/p-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	700	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 by Ellman's method				Bioorg Med Chem Lett 23: 6663-6 (2013) Article DOI: 10.1016/j.bmcl.2013.10.043 BindingDB Entry DOI: 10.7270/Q2ZG6TR6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50005185 (CHEMBL3093794) Show SMILES [Br-].[Br-].C(CCC[n+]1ccccc1)CCC[n+]1ccc2ccccc2c1 Show InChI InChI=1S/C21H26N2.2BrH/c1(2-7-14-22-15-9-4-10-16-22)3-8-17-23-18-13-20-11-5-6-12-21(20)19-23;;/h4-6,9-13,15-16,18-19H,1-3,7-8,14,17H2;2*1H/q+2;;/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	800	n/a	n/a	n/a	n/a	n/a	n/a
Charles University in Prague Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE after 5 mins by Ellman's method				Bioorg Med Chem Lett 23: 6663-6 (2013) Article DOI: 10.1016/j.bmcl.2013.10.043 BindingDB Entry DOI: 10.7270/Q2ZG6TR6
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50005116 (CHEMBL3093803) Show SMILES [Br-].[Br-].C(CCCCC[n+]1ccccc1)CCCCC[n+]1cccc2ccccc12 Show InChI InChI=1S/C25H34N2.2BrH/c1(2-4-6-11-19-26-20-12-8-13-21-26)3-5-7-14-22-27-23-15-17-24-16-9-10-18-25(24)27;;/h8-10,12-13,15-18,20-21,23H,1-7,11,14,19,22H2;2*1H/q+2;;/p-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	900	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 by Ellman's method				Bioorg Med Chem Lett 23: 6663-6 (2013) Article DOI: 10.1016/j.bmcl.2013.10.043 BindingDB Entry DOI: 10.7270/Q2ZG6TR6
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50005185 (CHEMBL3093794) Show SMILES [Br-].[Br-].C(CCC[n+]1ccccc1)CCC[n+]1ccc2ccccc2c1 Show InChI InChI=1S/C21H26N2.2BrH/c1(2-7-14-22-15-9-4-10-16-22)3-8-17-23-18-13-20-11-5-6-12-21(20)19-23;;/h4-6,9-13,15-16,18-19H,1-3,7-8,14,17H2;2*1H/q+2;;/p-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	1.00E+3	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 by Ellman's method				Bioorg Med Chem Lett 23: 6663-6 (2013) Article DOI: 10.1016/j.bmcl.2013.10.043 BindingDB Entry DOI: 10.7270/Q2ZG6TR6
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50005119 (CHEMBL3093801) Show SMILES [Br-].[Br-].C(CCCC[n+]1ccccc1)CCCC[n+]1cccc2ccccc12 Show InChI InChI=1S/C23H30N2.2BrH/c1(2-4-9-17-24-18-10-6-11-19-24)3-5-12-20-25-21-13-15-22-14-7-8-16-23(22)25;;/h6-8,10-11,13-16,18-19,21H,1-5,9,12,17,20H2;2*1H/q+2;;/p-2	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	1.70E+3	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 by Ellman's method				Bioorg Med Chem Lett 23: 6663-6 (2013) Article DOI: 10.1016/j.bmcl.2013.10.043 BindingDB Entry DOI: 10.7270/Q2ZG6TR6
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50005171 (CHEMBL3093800) Show SMILES [Br-].[Br-].C(CCCC[n+]1cccc2ccccc12)CCC[n+]1ccccc1 Show InChI InChI=1S/C22H28N2.2BrH/c1(3-8-16-23-17-9-5-10-18-23)2-4-11-19-24-20-12-14-21-13-6-7-15-22(21)24;;/h5-7,9-10,12-15,17-18,20H,1-4,8,11,16,19H2;2*1H/q+2;;/p-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	2.00E+3	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 by Ellman's method				Bioorg Med Chem Lett 23: 6663-6 (2013) Article DOI: 10.1016/j.bmcl.2013.10.043 BindingDB Entry DOI: 10.7270/Q2ZG6TR6
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50005179 (CHEMBL3093799) Show SMILES [Br-].[Br-].C(CCC[n+]1ccccc1)CCC[n+]1cccc2ccccc12 Show InChI InChI=1S/C21H26N2.2BrH/c1(2-7-15-22-16-8-4-9-17-22)3-10-18-23-19-11-13-20-12-5-6-14-21(20)23;;/h4-6,8-9,11-14,16-17,19H,1-3,7,10,15,18H2;2*1H/q+2;;/p-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	2.20E+3	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 by Ellman's method				Bioorg Med Chem Lett 23: 6663-6 (2013) Article DOI: 10.1016/j.bmcl.2013.10.043 BindingDB Entry DOI: 10.7270/Q2ZG6TR6
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50005115 (CHEMBL3093802) Show SMILES [Br-].[Br-].C(CCCCC[n+]1cccc2ccccc12)CCCC[n+]1ccccc1 Show InChI InChI=1S/C24H32N2.2BrH/c1(3-5-10-18-25-19-11-7-12-20-25)2-4-6-13-21-26-22-14-16-23-15-8-9-17-24(23)26;;/h7-9,11-12,14-17,19-20,22H,1-6,10,13,18,21H2;2*1H/q+2;;/p-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	3.20E+3	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 by Ellman's method				Bioorg Med Chem Lett 23: 6663-6 (2013) Article DOI: 10.1016/j.bmcl.2013.10.043 BindingDB Entry DOI: 10.7270/Q2ZG6TR6
					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	n/a	n/a	5.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
Charles University in Prague Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE after 5 mins by Ellman's method				Bioorg Med Chem Lett 23: 6663-6 (2013) Article DOI: 10.1016/j.bmcl.2013.10.043 BindingDB Entry DOI: 10.7270/Q2ZG6TR6
					More data for this Ligand-Target Pair
Cholinesterase (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80E+3	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 by Ellman's method				Bioorg Med Chem Lett 23: 6663-6 (2013) Article DOI: 10.1016/j.bmcl.2013.10.043 BindingDB Entry DOI: 10.7270/Q2ZG6TR6
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50005184 (CHEMBL3093795) Show SMILES [Br-].[Br-].C(CCCC[n+]1ccc2ccccc2c1)CCC[n+]1ccccc1 Show InChI InChI=1S/C22H28N2.2BrH/c1(3-8-15-23-16-10-5-11-17-23)2-4-9-18-24-19-14-21-12-6-7-13-22(21)20-24;;/h5-7,10-14,16-17,19-20H,1-4,8-9,15,18H2;2*1H/q+2;;/p-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	7.70E+3	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 by Ellman's method				Bioorg Med Chem Lett 23: 6663-6 (2013) Article DOI: 10.1016/j.bmcl.2013.10.043 BindingDB Entry DOI: 10.7270/Q2ZG6TR6
					More data for this Ligand-Target Pair
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	n/a	n/a	3.54E+5	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 by Ellman's method				Bioorg Med Chem Lett 23: 6663-6 (2013) Article DOI: 10.1016/j.bmcl.2013.10.043 BindingDB Entry DOI: 10.7270/Q2ZG6TR6
					More data for this Ligand-Target Pair
Cholinesterase (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 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	n/a	n/a	1.37E+6	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 by Ellman's method				Bioorg Med Chem Lett 23: 6663-6 (2013) Article DOI: 10.1016/j.bmcl.2013.10.043 BindingDB Entry DOI: 10.7270/Q2ZG6TR6
					More data for this Ligand-Target Pair