Compile Data Set for Download or QSAR

Found 92 hits with Last Name = 'opletalova' and Initial = 'v'   

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))	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)
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))	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
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
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
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))	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
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))	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))	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
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)
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	n/a	n/a	24	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))	BDBM50334304 (1,11-bis(4-tert.butylpyridinium)-undec-1,11-diyl d...) Show SMILES CC(C)(C)c1cc[n+](CCCCCCCCCCC[n+]2ccc(cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C29H48N2/c1-28(2,3)26-16-22-30(23-17-26)20-14-12-10-8-7-9-11-13-15-21-31-24-18-27(19-25-31)29(4,5)6/h16-19,22-25H,7-15,20-21H2,1-6H3/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	26	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))	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
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				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50334305 (1,6-bis(4-tert.butylpyridinium)-hex-1,6-diyl dibro...) Show SMILES CC(C)(C)c1cc[n+](CCCCCC[n+]2ccc(cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C24H38N2/c1-23(2,3)21-11-17-25(18-12-21)15-9-7-8-10-16-26-19-13-22(14-20-26)24(4,5)6/h11-14,17-20H,7-10,15-16H2,1-6H3/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	32	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))	BDBM50334306 (1,9-bis(4-tert.butylpyridinium)-non-1,9-diyl dibro...) Show SMILES CC(C)(C)c1cc[n+](CCCCCCCCC[n+]2ccc(cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C27H44N2/c1-26(2,3)24-14-20-28(21-15-24)18-12-10-8-7-9-11-13-19-29-22-16-25(17-23-29)27(4,5)6/h14-17,20-23H,7-13,18-19H2,1-6H3/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	37	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))	BDBM50327936 (CHEMBL1257767 | CHEMBL1618106 | N-n-heptyl-7-metho...) Show SMILES CCCCCCCNc1c2CCCCc2nc2ccc(OC)cc12 Show InChI InChI=1S/C21H30N2O/c1-3-4-5-6-9-14-22-21-17-10-7-8-11-19(17)23-20-13-12-16(24-2)15-18(20)21/h12-13,15H,3-11,14H2,1-2H3,(H,22,23)	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	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 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
Cholinesterase (Homo sapiens (Human))	BDBM50327936 (CHEMBL1257767 | CHEMBL1618106 | N-n-heptyl-7-metho...) Show SMILES CCCCCCCNc1c2CCCCc2nc2ccc(OC)cc12 Show InChI InChI=1S/C21H30N2O/c1-3-4-5-6-9-14-22-21-17-10-7-8-11-19(17)23-20-13-12-16(24-2)15-18(20)21/h12-13,15H,3-11,14H2,1-2H3,(H,22,23)	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	40	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
Cholinesterase (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	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))	BDBM50327935 (CHEMBL1257885 | CHEMBL1618217 | N-n-hexyl-7-methox...) Show SMILES CCCCCCNc1c2CCCCc2nc2ccc(OC)cc12 Show InChI InChI=1S/C20H28N2O/c1-3-4-5-8-13-21-20-16-9-6-7-10-18(16)22-19-12-11-15(23-2)14-17(19)20/h11-12,14H,3-10,13H2,1-2H3,(H,21,22)	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	100	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 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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50327935 (CHEMBL1257885 | CHEMBL1618217 | N-n-hexyl-7-methox...) Show SMILES CCCCCCNc1c2CCCCc2nc2ccc(OC)cc12 Show InChI InChI=1S/C20H28N2O/c1-3-4-5-8-13-21-20-16-9-6-7-10-18(16)22-19-12-11-15(23-2)14-17(19)20/h11-12,14H,3-10,13H2,1-2H3,(H,21,22)	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	100	n/a	n/a	n/a	n/a	n/a	n/a
Charles University Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE 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
Cholinesterase (Homo sapiens (Human))	BDBM50334304 (1,11-bis(4-tert.butylpyridinium)-undec-1,11-diyl d...) Show SMILES CC(C)(C)c1cc[n+](CCCCCCCCCCC[n+]2ccc(cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C29H48N2/c1-28(2,3)26-16-22-30(23-17-26)20-14-12-10-8-7-9-11-13-15-21-31-24-18-27(19-25-31)29(4,5)6/h16-19,22-25H,7-15,20-21H2,1-6H3/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	110	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))	BDBM50327937 (CHEMBL1257766 | N-n-octyl-7-methoxytacrine hydroch...) Show SMILES CCCCCCCCNc1c2CCCCc2nc2ccc(OC)cc12 Show InChI InChI=1S/C22H32N2O/c1-3-4-5-6-7-10-15-23-22-18-11-8-9-12-20(18)24-21-14-13-17(25-2)16-19(21)22/h13-14,16H,3-12,15H2,1-2H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
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
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	n/a	n/a	120	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))	BDBM50334306 (1,9-bis(4-tert.butylpyridinium)-non-1,9-diyl dibro...) Show SMILES CC(C)(C)c1cc[n+](CCCCCCCCC[n+]2ccc(cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C27H44N2/c1-26(2,3)24-14-20-28(21-15-24)18-12-10-8-7-9-11-13-19-29-22-16-25(17-23-29)27(4,5)6/h14-17,20-23H,7-13,18-19H2,1-6H3/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	150	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))	BDBM50327936 (CHEMBL1257767 | CHEMBL1618106 | N-n-heptyl-7-metho...) Show SMILES CCCCCCCNc1c2CCCCc2nc2ccc(OC)cc12 Show InChI InChI=1S/C21H30N2O/c1-3-4-5-6-9-14-22-21-17-10-7-8-11-19(17)23-20-13-12-16(24-2)15-18(20)21/h12-13,15H,3-11,14H2,1-2H3,(H,22,23)	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 Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE 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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50327936 (CHEMBL1257767 | CHEMBL1618106 | N-n-heptyl-7-metho...) Show SMILES CCCCCCCNc1c2CCCCc2nc2ccc(OC)cc12 Show InChI InChI=1S/C21H30N2O/c1-3-4-5-6-9-14-22-21-17-10-7-8-11-19(17)23-20-13-12-16(24-2)15-18(20)21/h12-13,15H,3-11,14H2,1-2H3,(H,22,23)	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 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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50334307 (1,1'-bis(4-tert.butylpyridinium)-1,4-phenyldimethy...) Show SMILES CC(C)(C)c1cc[n+](Cc2ccc(C[n+]3ccc(cc3)C(C)(C)C)cc2)cc1 Show InChI InChI=1S/C26H34N2/c1-25(2,3)23-11-15-27(16-12-23)19-21-7-9-22(10-8-21)20-28-17-13-24(14-18-28)26(4,5)6/h7-18H,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	300	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))	BDBM50327937 (CHEMBL1257766 | N-n-octyl-7-methoxytacrine hydroch...) Show SMILES CCCCCCCCNc1c2CCCCc2nc2ccc(OC)cc12 Show InChI InChI=1S/C22H32N2O/c1-3-4-5-6-7-10-15-23-22-18-11-8-9-12-20(18)24-21-14-13-17(25-2)16-19(21)22/h13-14,16H,3-12,15H2,1-2H3,(H,23,24)	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	360	n/a	n/a	n/a	n/a	n/a	n/a
Charles University Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE 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
Cholinesterase (Homo sapiens (Human))	BDBM50327938 (CHEMBL1257644 | N-n-nonyl-7-methoxytacrine hydroch...) Show SMILES CCCCCCCCCNc1c2CCCCc2nc2ccc(OC)cc12 Show InChI InChI=1S/C23H34N2O/c1-3-4-5-6-7-8-11-16-24-23-19-12-9-10-13-21(19)25-22-15-14-18(26-2)17-20(22)23/h14-15,17H,3-13,16H2,1-2H3,(H,24,25)	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	360	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
Acetylcholinesterase (Homo sapiens (Human))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Charles University Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE 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)
Acetylcholinesterase (Homo sapiens (Human))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	500	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 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))	BDBM50334305 (1,6-bis(4-tert.butylpyridinium)-hex-1,6-diyl dibro...) Show SMILES CC(C)(C)c1cc[n+](CCCCCC[n+]2ccc(cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C24H38N2/c1-23(2,3)21-11-17-25(18-12-21)15-9-7-8-10-16-26-19-13-22(14-20-26)24(4,5)6/h11-14,17-20H,7-10,15-16H2,1-6H3/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	600	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))	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 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
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))	BDBM50334308 (1,1'-bis(4-tert.butylpyridinium)-1,3-phenyldimethy...) Show SMILES CC(C)(C)c1cc[n+](Cc2cccc(C[n+]3ccc(cc3)C(C)(C)C)c2)cc1 Show InChI InChI=1S/C26H34N2/c1-25(2,3)23-10-14-27(15-11-23)19-21-8-7-9-22(18-21)20-28-16-12-24(13-17-28)26(4,5)6/h7-18H,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	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				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))	BDBM50327941 (CHEMBL1257525 | N-n-dodecyl-7-methoxytacrine hydro...) Show SMILES CCCCCCCCCCCCNc1c2CCCCc2nc2ccc(OC)cc12 Show InChI InChI=1S/C26H40N2O/c1-3-4-5-6-7-8-9-10-11-14-19-27-26-22-15-12-13-16-24(22)28-25-18-17-21(29-2)20-23(25)26/h17-18,20H,3-16,19H2,1-2H3,(H,27,28)	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	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Charles University Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE 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
Cholinesterase (Homo sapiens (Human))	BDBM50327935 (CHEMBL1257885 | CHEMBL1618217 | N-n-hexyl-7-methox...) Show SMILES CCCCCCNc1c2CCCCc2nc2ccc(OC)cc12 Show InChI InChI=1S/C20H28N2O/c1-3-4-5-8-13-21-20-16-9-6-7-10-18(16)22-19-12-11-15(23-2)14-17(19)20/h11-12,14H,3-10,13H2,1-2H3,(H,21,22)	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 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
Cholinesterase (Homo sapiens (Human))	BDBM50327935 (CHEMBL1257885 | CHEMBL1618217 | N-n-hexyl-7-methox...) Show SMILES CCCCCCNc1c2CCCCc2nc2ccc(OC)cc12 Show InChI InChI=1S/C20H28N2O/c1-3-4-5-8-13-21-20-16-9-6-7-10-18(16)22-19-12-11-15(23-2)14-17(19)20/h11-12,14H,3-10,13H2,1-2H3,(H,21,22)	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 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
Cholinesterase (Homo sapiens (Human))	BDBM50356766 (CHEMBL1917825) Show SMILES COc1ccc2nc3CCCCc3c(NCCCC=C)c2c1 Show InChI InChI=1S/C19H24N2O/c1-3-4-7-12-20-19-15-8-5-6-9-17(15)21-18-11-10-14(22-2)13-16(18)19/h3,10-11,13H,1,4-9,12H2,2H3,(H,20,21)	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	1.10E+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 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
Cholinesterase (Homo sapiens (Human))	BDBM50334307 (1,1'-bis(4-tert.butylpyridinium)-1,4-phenyldimethy...) Show SMILES CC(C)(C)c1cc[n+](Cc2ccc(C[n+]3ccc(cc3)C(C)(C)C)cc2)cc1 Show InChI InChI=1S/C26H34N2/c1-25(2,3)23-11-15-27(16-12-23)19-21-7-9-22(10-8-21)20-28-17-13-24(14-18-28)26(4,5)6/h7-18H,19-20H2,1-6H3/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	1.30E+3	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))	BDBM50327938 (CHEMBL1257644 | N-n-nonyl-7-methoxytacrine hydroch...) Show SMILES CCCCCCCCCNc1c2CCCCc2nc2ccc(OC)cc12 Show InChI InChI=1S/C23H34N2O/c1-3-4-5-6-7-8-11-16-24-23-19-12-9-10-13-21(19)25-22-15-14-18(26-2)17-20(22)23/h14-15,17H,3-13,16H2,1-2H3,(H,24,25)	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	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Charles University Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE 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
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	n/a	n/a	1.60E+3	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				3D Structure (crystal)
Cholinesterase (Homo sapiens (Human))	BDBM50334308 (1,1'-bis(4-tert.butylpyridinium)-1,3-phenyldimethy...) Show SMILES CC(C)(C)c1cc[n+](Cc2cccc(C[n+]3ccc(cc3)C(C)(C)C)c2)cc1 Show InChI InChI=1S/C26H34N2/c1-25(2,3)23-10-14-27(15-11-23)19-21-8-7-9-22(18-21)20-28-16-12-24(13-17-28)26(4,5)6/h7-18H,19-20H2,1-6H3/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	1.90E+3	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))	BDBM50334310 (1,4-bis(4-tert.butylpyridinium)-but-(2Z)-ene-1,4-d...) Show SMILES CC(C)(C)c1cc[n+](C\C=C/C[n+]2ccc(cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C22H32N2/c1-21(2,3)19-9-15-23(16-10-19)13-7-8-14-24-17-11-20(12-18-24)22(4,5)6/h7-12,15-18H,13-14H2,1-6H3/q+2/b8-7-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	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))	BDBM50356766 (CHEMBL1917825) Show SMILES COc1ccc2nc3CCCCc3c(NCCCC=C)c2c1 Show InChI InChI=1S/C19H24N2O/c1-3-4-7-12-20-19-15-8-5-6-9-17(15)21-18-11-10-14(22-2)13-16(18)19/h3,10-11,13H,1,4-9,12H2,2H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+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 recombinant AChE 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

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