Compile Data Set for Download or QSAR

Found 55 hits Enz. Inhib. hit(s) with all data for entry = 50039329   

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
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
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
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
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))	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))	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))	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
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))	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))	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
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
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
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
Cholinesterase (Homo sapiens (Human))	BDBM50334311 (1,1'-bis(4-tert.butylpyridinium)-1,2-phenyldimethy...) Show SMILES CC(C)(C)c1cc[n+](Cc2ccccc2C[n+]2ccc(cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C26H34N2/c1-25(2,3)23-11-15-27(16-12-23)19-21-9-7-8-10-22(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	2.40E+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))	BDBM50334312 (1,4-bis(4-tert.butylpyridinium)-but-(2E)-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	3.40E+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))	BDBM50334313 (1,4-bis(4-tert.butylpyridinium)-but-1,4-diyl dibro...) Show SMILES CC(C)(C)c1cc[n+](CCCC[n+]2ccc(cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C22H34N2/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/h9-12,15-18H,7-8,13-14H2,1-6H3/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	3.70E+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
Cholinesterase (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+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
Cholinesterase (Homo sapiens (Human))	BDBM50334314 (1,5-bis(4-tert.butylpyridinium)-pent-1,5-diyl dibr...) Show SMILES CC(C)(C)c1cc[n+](CCCCC[n+]2ccc(cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C23H36N2/c1-22(2,3)20-10-16-24(17-11-20)14-8-7-9-15-25-18-12-21(13-19-25)23(4,5)6/h10-13,16-19H,7-9,14-15H2,1-6H3/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	5.10E+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
Cholinesterase (Homo sapiens (Human))	BDBM50334313 (1,4-bis(4-tert.butylpyridinium)-but-1,4-diyl dibro...) Show SMILES CC(C)(C)c1cc[n+](CCCC[n+]2ccc(cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C22H34N2/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/h9-12,15-18H,7-8,13-14H2,1-6H3/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	5.50E+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))	BDBM50334311 (1,1'-bis(4-tert.butylpyridinium)-1,2-phenyldimethy...) Show SMILES CC(C)(C)c1cc[n+](Cc2ccccc2C[n+]2ccc(cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C26H34N2/c1-25(2,3)23-11-15-27(16-12-23)19-21-9-7-8-10-22(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	1.00E+4	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))	BDBM50334315 (1,3-bis(4-tert.butylpyridinium)-2-oxaprop-1,3-diyl...) Show SMILES CC(C)(C)c1cc[n+](COC[n+]2ccc(cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C20H30N2O/c1-19(2,3)17-7-11-21(12-8-17)15-23-16-22-13-9-18(10-14-22)20(4,5)6/h7-14H,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	Article PubMed	n/a	n/a	1.20E+4	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))	BDBM50334316 (1,3-bis(4-tert.butylpyridinium)-prop-1,3-diyl dibr...) Show SMILES CC(C)(C)c1cc[n+](CCC[n+]2ccc(cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C21H32N2/c1-20(2,3)18-8-14-22(15-9-18)12-7-13-23-16-10-19(11-17-23)21(4,5)6/h8-11,14-17H,7,12-13H2,1-6H3/q+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+4	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))	BDBM50334317 (1,2-bis(4-tert.butylpyridinium)-eth-1,2-diyl dibro...) Show SMILES CC(C)(C)c1cc[n+](CC[n+]2ccc(cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C20H30N2/c1-19(2,3)17-7-11-21(12-8-17)15-16-22-13-9-18(10-14-22)20(4,5)6/h7-14H,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	Article PubMed	n/a	n/a	1.70E+4	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))	BDBM50334312 (1,4-bis(4-tert.butylpyridinium)-but-(2E)-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 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+4	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))	BDBM50334318 (1,5-bis(4-tert.butylpyridinium)-3-oxapent-1,5-diyl...) Show SMILES CC(C)(C)c1cc[n+](CCOCC[n+]2ccc(cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C22H34N2O/c1-21(2,3)19-7-11-23(12-8-19)15-17-25-18-16-24-13-9-20(10-14-24)22(4,5)6/h7-14H,15-18H2,1-6H3/q+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+4	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))	BDBM50334319 (1,1-bis(4-tert.butylpyridinium)-meth-1,1-diyl dibr...) Show SMILES CC(C)(C)c1cc[n+](C[n+]2ccc(cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C19H28N2/c1-18(2,3)16-7-11-20(12-8-16)15-21-13-9-17(10-14-21)19(4,5)6/h7-14H,15H2,1-6H3/q+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+4	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))	BDBM50334317 (1,2-bis(4-tert.butylpyridinium)-eth-1,2-diyl dibro...) Show SMILES CC(C)(C)c1cc[n+](CC[n+]2ccc(cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C20H30N2/c1-19(2,3)17-7-11-21(12-8-17)15-16-22-13-9-18(10-14-22)20(4,5)6/h7-14H,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	Article PubMed	n/a	n/a	2.00E+4	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))	BDBM50334314 (1,5-bis(4-tert.butylpyridinium)-pent-1,5-diyl dibr...) Show SMILES CC(C)(C)c1cc[n+](CCCCC[n+]2ccc(cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C23H36N2/c1-22(2,3)20-10-16-24(17-11-20)14-8-7-9-15-25-18-12-21(13-19-25)23(4,5)6/h10-13,16-19H,7-9,14-15H2,1-6H3/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	2.40E+4	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))	BDBM50334319 (1,1-bis(4-tert.butylpyridinium)-meth-1,1-diyl dibr...) Show SMILES CC(C)(C)c1cc[n+](C[n+]2ccc(cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C19H28N2/c1-18(2,3)16-7-11-20(12-8-16)15-21-13-9-17(10-14-21)19(4,5)6/h7-14H,15H2,1-6H3/q+2	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	3.40E+4	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))	BDBM50334316 (1,3-bis(4-tert.butylpyridinium)-prop-1,3-diyl dibr...) Show SMILES CC(C)(C)c1cc[n+](CCC[n+]2ccc(cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C21H32N2/c1-20(2,3)18-8-14-22(15-9-18)12-7-13-23-16-10-19(11-17-23)21(4,5)6/h8-11,14-17H,7,12-13H2,1-6H3/q+2	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	5.30E+4	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))	BDBM50334315 (1,3-bis(4-tert.butylpyridinium)-2-oxaprop-1,3-diyl...) Show SMILES CC(C)(C)c1cc[n+](COC[n+]2ccc(cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C20H30N2O/c1-19(2,3)17-7-11-21(12-8-17)15-23-16-22-13-9-18(10-14-22)20(4,5)6/h7-14H,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	Article PubMed	n/a	n/a	7.50E+4	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))	BDBM50334318 (1,5-bis(4-tert.butylpyridinium)-3-oxapent-1,5-diyl...) Show SMILES CC(C)(C)c1cc[n+](CCOCC[n+]2ccc(cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C22H34N2O/c1-21(2,3)19-7-11-23(12-8-19)15-17-25-18-16-24-13-9-20(10-14-24)22(4,5)6/h7-14H,15-18H2,1-6H3/q+2	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	2.41E+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 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

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