Compile Data Set for Download or QSAR

Found 112 hits with Last Name = 'le' and Initial = 'um'   

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
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50087878 (CHEMBL3426919) Show SMILES OC(=O)CCC\C=C/CC\C=C/Cc1ccccc1 Show InChI InChI=1S/C17H22O2/c18-17(19)15-11-6-4-2-1-3-5-8-12-16-13-9-7-10-14-16/h2,4-5,7-10,13-14H,1,3,6,11-12,15H2,(H,18,19)/b4-2-,8-5-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
Russian Academy of Science Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 1-mediated DNA cleavage assessed as accumulation of nicked DNA by ethidium bromide staining based electrophoregram				Bioorg Med Chem Lett 25: 2405-8 (2015) Article DOI: 10.1016/j.bmcl.2015.04.011 BindingDB Entry DOI: 10.7270/Q2G44S1T
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50087876 (CHEMBL3426918) Show SMILES CCCCCCCCCC\C=C/CC\C=C/CCCC(O)=O Show InChI InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h11-12,15-16H,2-10,13-14,17-19H2,1H3,(H,21,22)/b12-11-,16-15-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
Russian Academy of Science Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 1-mediated DNA cleavage assessed as accumulation of nicked DNA by ethidium bromide staining based electrophoregram				Bioorg Med Chem Lett 25: 2405-8 (2015) Article DOI: 10.1016/j.bmcl.2015.04.011 BindingDB Entry DOI: 10.7270/Q2G44S1T
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50390916 (CHEMBL2070953) Show SMILES COc1ccc(cc1)-c1csc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)n1 |r| Show InChI InChI=1S/C23H25N3O4S2/c1-16-6-12-19(13-7-16)32(28,29)26-14-4-3-5-21(26)22(27)25-23-24-20(15-31-23)17-8-10-18(30-2)11-9-17/h6-13,15,21H,3-5,14H2,1-2H3,(H,24,25,27)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO cells after 3 mins by patch clamp assay				Bioorg Med Chem Lett 22: 5936-41 (2012) Article DOI: 10.1016/j.bmcl.2012.07.060 BindingDB Entry DOI: 10.7270/Q25T3MKN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108602 (CHEMBL3597942) Show SMILES [Cl-].Cc1ccc(cc1)-c1csc(NC(=O)C[n+]2ccc(\C=N\O)cc2)n1 Show InChI InChI=1S/C18H16N4O2S.ClH/c1-13-2-4-15(5-3-13)16-12-25-18(20-16)21-17(23)11-22-8-6-14(7-9-22)10-19-24;/h2-10,12H,11H2,1H3,(H,20,21,23);1H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.70E+5	n/a	n/a	n/a	n/a	n/a	n/a
Defence Research & Development Establishment (DRDE) Curated by ChEMBL					Assay Description Inhibition of human acetylcholinesterase incubated for 60 mins using ATChI substrate by DTNB dye based UV-visible spectrophotometry				Bioorg Med Chem 23: 4899-910 (2015) Article DOI: 10.1016/j.bmc.2015.05.027 BindingDB Entry DOI: 10.7270/Q2GQ70J1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108604 (CHEMBL3597941) Show SMILES [Cl-].O\N=C\c1cc[n+](CC(=O)Nc2nc(cs2)-c2ccccc2)cc1 Show InChI InChI=1S/C17H14N4O2S.ClH/c22-16(11-21-8-6-13(7-9-21)10-18-23)20-17-19-15(12-24-17)14-4-2-1-3-5-14;/h1-10,12H,11H2,(H,19,20,22);1H	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	9.90E+5	n/a	n/a	n/a	n/a	n/a	n/a
Defence Research & Development Establishment (DRDE) Curated by ChEMBL					Assay Description Inhibition of human acetylcholinesterase incubated for 60 mins using ATChI substrate by DTNB dye based UV-visible spectrophotometry				Bioorg Med Chem 23: 4899-910 (2015) Article DOI: 10.1016/j.bmc.2015.05.027 BindingDB Entry DOI: 10.7270/Q2GQ70J1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108601 (CHEMBL3597944) Show SMILES [I-].COc1ccc(cc1)-c1csc(NC(=O)C[n+]2ccc(\C=N\O)cc2)n1 Show InChI InChI=1S/C18H16N4O3S.HI/c1-25-15-4-2-14(3-5-15)16-12-26-18(20-16)21-17(23)11-22-8-6-13(7-9-22)10-19-24;/h2-10,12H,11H2,1H3,(H,20,21,23);1H	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	1.66E+6	n/a	n/a	n/a	n/a	n/a	n/a
Defence Research & Development Establishment (DRDE) Curated by ChEMBL					Assay Description Inhibition of human acetylcholinesterase incubated for 60 mins using ATChI substrate by DTNB dye based UV-visible spectrophotometry				Bioorg Med Chem 23: 4899-910 (2015) Article DOI: 10.1016/j.bmc.2015.05.027 BindingDB Entry DOI: 10.7270/Q2GQ70J1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108600 (CHEMBL3597946) Show SMILES [Cl-].CCOC(=O)Cc1csc(NC(=O)C[n+]2ccc(\C=N\O)cc2)n1 Show InChI InChI=1S/C15H16N4O4S.ClH/c1-2-23-14(21)7-12-10-24-15(17-12)18-13(20)9-19-5-3-11(4-6-19)8-16-22;/h3-6,8,10H,2,7,9H2,1H3,(H,17,18,20);1H	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	2.27E+6	n/a	n/a	n/a	n/a	n/a	n/a
Defence Research & Development Establishment (DRDE) Curated by ChEMBL					Assay Description Inhibition of human acetylcholinesterase incubated for 60 mins using ATChI substrate by DTNB dye based UV-visible spectrophotometry				Bioorg Med Chem 23: 4899-910 (2015) Article DOI: 10.1016/j.bmc.2015.05.027 BindingDB Entry DOI: 10.7270/Q2GQ70J1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108607 (CHEMBL3597939) Show SMILES [Cl-].O\N=C\c1cc[n+](CC(=O)Nc2nccs2)cc1 Show InChI InChI=1S/C11H10N4O2S.ClH/c16-10(14-11-12-3-6-18-11)8-15-4-1-9(2-5-15)7-13-17;/h1-7H,8H2,(H,12,14,16);1H	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	2.36E+6	n/a	n/a	n/a	n/a	n/a	n/a
Defence Research & Development Establishment (DRDE) Curated by ChEMBL					Assay Description Inhibition of human acetylcholinesterase incubated for 60 mins using ATChI substrate by DTNB dye based UV-visible spectrophotometry				Bioorg Med Chem 23: 4899-910 (2015) Article DOI: 10.1016/j.bmc.2015.05.027 BindingDB Entry DOI: 10.7270/Q2GQ70J1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108574 (CHEMBL3597948) Show SMILES [Cl-].CCOC(=O)c1csc(NC(=O)C[n+]2ccc(\C=N\O)cc2)n1 Show InChI InChI=1S/C14H14N4O4S.ClH/c1-2-22-13(20)11-9-23-14(16-11)17-12(19)8-18-5-3-10(4-6-18)7-15-21;/h3-7,9H,2,8H2,1H3,(H,16,17,19);1H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.49E+6	n/a	n/a	n/a	n/a	n/a	n/a
Defence Research & Development Establishment (DRDE) Curated by ChEMBL					Assay Description Inhibition of human acetylcholinesterase incubated for 60 mins using ATChI substrate by DTNB dye based UV-visible spectrophotometry				Bioorg Med Chem 23: 4899-910 (2015) Article DOI: 10.1016/j.bmc.2015.05.027 BindingDB Entry DOI: 10.7270/Q2GQ70J1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50011780 (2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...) Show SMILES C[n+]1ccccc1CN=O Show InChI InChI=1S/C7H9N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-5H,6H2,1H3/q+1	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	n/a	3.47E+4	n/a	n/a	n/a	n/a	n/a
Defence Research & Development Establishment (DRDE) Curated by ChEMBL					Assay Description Reactivation of O-ethylsarin-inhibited human acetylcholinesterase assessed as dissociation constant incubated for 60 mins using ATChI substrate by DT...				Bioorg Med Chem 23: 4899-910 (2015) Article DOI: 10.1016/j.bmc.2015.05.027 BindingDB Entry DOI: 10.7270/Q2GQ70J1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108574 (CHEMBL3597948) Show SMILES [Cl-].CCOC(=O)c1csc(NC(=O)C[n+]2ccc(\C=N\O)cc2)n1 Show InChI InChI=1S/C14H14N4O4S.ClH/c1-2-22-13(20)11-9-23-14(16-11)17-12(19)8-18-5-3-10(4-6-18)7-15-21;/h3-7,9H,2,8H2,1H3,(H,16,17,19);1H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.47E+4	n/a	n/a	n/a	n/a	n/a
Defence Research & Development Establishment (DRDE) Curated by ChEMBL					Assay Description Reactivation of O-ethylsarin-inhibited human acetylcholinesterase assessed as dissociation constant incubated for 60 mins using ATChI substrate by DT...				Bioorg Med Chem 23: 4899-910 (2015) Article DOI: 10.1016/j.bmc.2015.05.027 BindingDB Entry DOI: 10.7270/Q2GQ70J1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108599 (CHEMBL3597947) Show SMILES [Cl-].CCOC(=O)Cc1csc(NC(=O)C[n+]2cccc(\C=N\O)c2)n1 Show InChI InChI=1S/C15H16N4O4S.ClH/c1-2-23-14(21)6-12-10-24-15(17-12)18-13(20)9-19-5-3-4-11(8-19)7-16-22;/h3-5,7-8,10H,2,6,9H2,1H3,(H-,17,18,20,22);1H/b16-7+;	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	n/a	1.05E+5	n/a	n/a	n/a	n/a	n/a
Defence Research & Development Establishment (DRDE) Curated by ChEMBL					Assay Description Reactivation of O-ethylsarin-inhibited human acetylcholinesterase assessed as dissociation constant incubated for 60 mins using ATChI substrate by DT...				Bioorg Med Chem 23: 4899-910 (2015) Article DOI: 10.1016/j.bmc.2015.05.027 BindingDB Entry DOI: 10.7270/Q2GQ70J1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108600 (CHEMBL3597946) Show SMILES [Cl-].CCOC(=O)Cc1csc(NC(=O)C[n+]2ccc(\C=N\O)cc2)n1 Show InChI InChI=1S/C15H16N4O4S.ClH/c1-2-23-14(21)7-12-10-24-15(17-12)18-13(20)9-19-5-3-11(4-6-19)8-16-22;/h3-6,8,10H,2,7,9H2,1H3,(H,17,18,20);1H	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	n/a	3.49E+4	n/a	n/a	n/a	n/a	n/a
Defence Research & Development Establishment (DRDE) Curated by ChEMBL					Assay Description Reactivation of O-ethylsarin-inhibited human acetylcholinesterase assessed as dissociation constant incubated for 60 mins using ATChI substrate by DT...				Bioorg Med Chem 23: 4899-910 (2015) Article DOI: 10.1016/j.bmc.2015.05.027 BindingDB Entry DOI: 10.7270/Q2GQ70J1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108601 (CHEMBL3597944) Show SMILES [I-].COc1ccc(cc1)-c1csc(NC(=O)C[n+]2ccc(\C=N\O)cc2)n1 Show InChI InChI=1S/C18H16N4O3S.HI/c1-25-15-4-2-14(3-5-15)16-12-26-18(20-16)21-17(23)11-22-8-6-13(7-9-22)10-19-24;/h2-10,12H,11H2,1H3,(H,20,21,23);1H	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	n/a	9.06E+4	n/a	n/a	n/a	n/a	n/a
Defence Research & Development Establishment (DRDE) Curated by ChEMBL					Assay Description Reactivation of O-ethylsarin-inhibited human acetylcholinesterase assessed as dissociation constant incubated for 60 mins using ATChI substrate by DT...				Bioorg Med Chem 23: 4899-910 (2015) Article DOI: 10.1016/j.bmc.2015.05.027 BindingDB Entry DOI: 10.7270/Q2GQ70J1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108602 (CHEMBL3597942) Show SMILES [Cl-].Cc1ccc(cc1)-c1csc(NC(=O)C[n+]2ccc(\C=N\O)cc2)n1 Show InChI InChI=1S/C18H16N4O2S.ClH/c1-13-2-4-15(5-3-13)16-12-25-18(20-16)21-17(23)11-22-8-6-14(7-9-22)10-19-24;/h2-10,12H,11H2,1H3,(H,20,21,23);1H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	5.06E+4	n/a	n/a	n/a	n/a	n/a
Defence Research & Development Establishment (DRDE) Curated by ChEMBL					Assay Description Reactivation of O-ethylsarin-inhibited human acetylcholinesterase assessed as dissociation constant incubated for 60 mins using ATChI substrate by DT...				Bioorg Med Chem 23: 4899-910 (2015) Article DOI: 10.1016/j.bmc.2015.05.027 BindingDB Entry DOI: 10.7270/Q2GQ70J1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108603 (CHEMBL3596215) Show SMILES [I-].O\N=C\c1ccc[n+](CC(=O)Nc2nc(cs2)-c2ccccc2)c1 Show InChI InChI=1S/C17H14N4O2S.HI/c22-16(11-21-8-4-5-13(10-21)9-18-23)20-17-19-15(12-24-17)14-6-2-1-3-7-14;/h1-10,12H,11H2,(H-,19,20,22,23);1H/b18-9+;	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	n/a	7.63E+5	n/a	n/a	n/a	n/a	n/a
Defence Research & Development Establishment (DRDE) Curated by ChEMBL					Assay Description Reactivation of O-ethylsarin-inhibited human acetylcholinesterase assessed as dissociation constant incubated for 60 mins using ATChI substrate by DT...				Bioorg Med Chem 23: 4899-910 (2015) Article DOI: 10.1016/j.bmc.2015.05.027 BindingDB Entry DOI: 10.7270/Q2GQ70J1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108604 (CHEMBL3597941) Show SMILES [Cl-].O\N=C\c1cc[n+](CC(=O)Nc2nc(cs2)-c2ccccc2)cc1 Show InChI InChI=1S/C17H14N4O2S.ClH/c22-16(11-21-8-6-13(7-9-21)10-18-23)20-17-19-15(12-24-17)14-4-2-1-3-5-14;/h1-10,12H,11H2,(H,19,20,22);1H	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	n/a	3.78E+4	n/a	n/a	n/a	n/a	n/a
Defence Research & Development Establishment (DRDE) Curated by ChEMBL					Assay Description Reactivation of O-ethylsarin-inhibited human acetylcholinesterase assessed as dissociation constant incubated for 60 mins using ATChI substrate by DT...				Bioorg Med Chem 23: 4899-910 (2015) Article DOI: 10.1016/j.bmc.2015.05.027 BindingDB Entry DOI: 10.7270/Q2GQ70J1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108605 (CHEMBL3597940) Show SMILES [Cl-].O\N=C\c1ccc[n+](CC(=O)Nc2nccs2)c1 Show InChI InChI=1S/C11H10N4O2S.ClH/c16-10(14-11-12-3-5-18-11)8-15-4-1-2-9(7-15)6-13-17;/h1-7H,8H2,(H-,12,14,16,17);1H/b13-6+;	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	n/a	8.76E+4	n/a	n/a	n/a	n/a	n/a
Defence Research & Development Establishment (DRDE) Curated by ChEMBL					Assay Description Reactivation of O-ethylsarin-inhibited human acetylcholinesterase assessed as dissociation constant incubated for 60 mins using ATChI substrate by DT...				Bioorg Med Chem 23: 4899-910 (2015) Article DOI: 10.1016/j.bmc.2015.05.027 BindingDB Entry DOI: 10.7270/Q2GQ70J1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108607 (CHEMBL3597939) Show SMILES [Cl-].O\N=C\c1cc[n+](CC(=O)Nc2nccs2)cc1 Show InChI InChI=1S/C11H10N4O2S.ClH/c16-10(14-11-12-3-6-18-11)8-15-4-1-9(2-5-15)7-13-17;/h1-7H,8H2,(H,12,14,16);1H	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	n/a	2.99E+4	n/a	n/a	n/a	n/a	n/a
Defence Research & Development Establishment (DRDE) Curated by ChEMBL					Assay Description Reactivation of O-ethylsarin-inhibited human acetylcholinesterase assessed as dissociation constant incubated for 60 mins using ATChI substrate by DT...				Bioorg Med Chem 23: 4899-910 (2015) Article DOI: 10.1016/j.bmc.2015.05.027 BindingDB Entry DOI: 10.7270/Q2GQ70J1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50005579 (CHEMBL139148 | Obidoxime) Show SMILES O\N=C\c1cc[n+](COC[n+]2ccc(\C=N\O)cc2)cc1 Show InChI InChI=1S/C14H14N4O3/c19-15-9-13-1-5-17(6-2-13)11-21-12-18-7-3-14(4-8-18)10-16-20/h1-10H,11-12H2/p+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	1.95E+4	n/a	n/a	n/a	n/a	n/a
Defence Research & Development Establishment (DRDE) Curated by ChEMBL					Assay Description Reactivation of sarin-inhibited human acetylcholinesterase assessed as dissociation constant incubated for 60 mins using ATChI substrate by DTNB dye ...				Bioorg Med Chem 23: 4899-910 (2015) Article DOI: 10.1016/j.bmc.2015.05.027 BindingDB Entry DOI: 10.7270/Q2GQ70J1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50011780 (2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...) Show SMILES C[n+]1ccccc1CN=O Show InChI InChI=1S/C7H9N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-5H,6H2,1H3/q+1	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	n/a	2.88E+4	n/a	n/a	n/a	n/a	n/a
Defence Research & Development Establishment (DRDE) Curated by ChEMBL					Assay Description Reactivation of sarin-inhibited human acetylcholinesterase assessed as dissociation constant incubated for 60 mins using ATChI substrate by DTNB dye ...				Bioorg Med Chem 23: 4899-910 (2015) Article DOI: 10.1016/j.bmc.2015.05.027 BindingDB Entry DOI: 10.7270/Q2GQ70J1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108608 (CHEMBL3597949) Show SMILES [Cl-].CCOC(=O)c1csc(NC(=O)C[n+]2cccc(\C=N\O)c2)n1 Show InChI InChI=1S/C14H14N4O4S.ClH/c1-2-22-13(20)11-9-23-14(16-11)17-12(19)8-18-5-3-4-10(7-18)6-15-21;/h3-7,9H,2,8H2,1H3,(H-,16,17,19,21);1H/b15-6+;	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	n/a	7.55E+4	n/a	n/a	n/a	n/a	n/a
Defence Research & Development Establishment (DRDE) Curated by ChEMBL					Assay Description Reactivation of sarin-inhibited human acetylcholinesterase assessed as dissociation constant incubated for 60 mins using ATChI substrate by DTNB dye ...				Bioorg Med Chem 23: 4899-910 (2015) Article DOI: 10.1016/j.bmc.2015.05.027 BindingDB Entry DOI: 10.7270/Q2GQ70J1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108574 (CHEMBL3597948) Show SMILES [Cl-].CCOC(=O)c1csc(NC(=O)C[n+]2ccc(\C=N\O)cc2)n1 Show InChI InChI=1S/C14H14N4O4S.ClH/c1-2-22-13(20)11-9-23-14(16-11)17-12(19)8-18-5-3-10(4-6-18)7-15-21;/h3-7,9H,2,8H2,1H3,(H,16,17,19);1H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	4.20E+4	n/a	n/a	n/a	n/a	n/a
Defence Research & Development Establishment (DRDE) Curated by ChEMBL					Assay Description Reactivation of sarin-inhibited human acetylcholinesterase assessed as dissociation constant incubated for 60 mins using ATChI substrate by DTNB dye ...				Bioorg Med Chem 23: 4899-910 (2015) Article DOI: 10.1016/j.bmc.2015.05.027 BindingDB Entry DOI: 10.7270/Q2GQ70J1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108599 (CHEMBL3597947) Show SMILES [Cl-].CCOC(=O)Cc1csc(NC(=O)C[n+]2cccc(\C=N\O)c2)n1 Show InChI InChI=1S/C15H16N4O4S.ClH/c1-2-23-14(21)6-12-10-24-15(17-12)18-13(20)9-19-5-3-4-11(8-19)7-16-22;/h3-5,7-8,10H,2,6,9H2,1H3,(H-,17,18,20,22);1H/b16-7+;	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	n/a	1.09E+5	n/a	n/a	n/a	n/a	n/a
Defence Research & Development Establishment (DRDE) Curated by ChEMBL					Assay Description Reactivation of sarin-inhibited human acetylcholinesterase assessed as dissociation constant incubated for 60 mins using ATChI substrate by DTNB dye ...				Bioorg Med Chem 23: 4899-910 (2015) Article DOI: 10.1016/j.bmc.2015.05.027 BindingDB Entry DOI: 10.7270/Q2GQ70J1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108600 (CHEMBL3597946) Show SMILES [Cl-].CCOC(=O)Cc1csc(NC(=O)C[n+]2ccc(\C=N\O)cc2)n1 Show InChI InChI=1S/C15H16N4O4S.ClH/c1-2-23-14(21)7-12-10-24-15(17-12)18-13(20)9-19-5-3-11(4-6-19)8-16-22;/h3-6,8,10H,2,7,9H2,1H3,(H,17,18,20);1H	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	n/a	4.69E+4	n/a	n/a	n/a	n/a	n/a
Defence Research & Development Establishment (DRDE) Curated by ChEMBL					Assay Description Reactivation of sarin-inhibited human acetylcholinesterase assessed as dissociation constant incubated for 60 mins using ATChI substrate by DTNB dye ...				Bioorg Med Chem 23: 4899-910 (2015) Article DOI: 10.1016/j.bmc.2015.05.027 BindingDB Entry DOI: 10.7270/Q2GQ70J1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108609 (CHEMBL3597945) Show SMILES [I-].COc1ccc(cc1)-c1csc(NC(=O)C[n+]2cccc(\C=N\O)c2)n1 Show InChI InChI=1S/C18H16N4O3S.HI/c1-25-15-6-4-14(5-7-15)16-12-26-18(20-16)21-17(23)11-22-8-2-3-13(10-22)9-19-24;/h2-10,12H,11H2,1H3,(H-,20,21,23,24);1H/b19-9+;	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	n/a	6.41E+5	n/a	n/a	n/a	n/a	n/a
Defence Research & Development Establishment (DRDE) Curated by ChEMBL					Assay Description Reactivation of sarin-inhibited human acetylcholinesterase assessed as dissociation constant incubated for 60 mins using ATChI substrate by DTNB dye ...				Bioorg Med Chem 23: 4899-910 (2015) Article DOI: 10.1016/j.bmc.2015.05.027 BindingDB Entry DOI: 10.7270/Q2GQ70J1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108601 (CHEMBL3597944) Show SMILES [I-].COc1ccc(cc1)-c1csc(NC(=O)C[n+]2ccc(\C=N\O)cc2)n1 Show InChI InChI=1S/C18H16N4O3S.HI/c1-25-15-4-2-14(3-5-15)16-12-26-18(20-16)21-17(23)11-22-8-6-13(7-9-22)10-19-24;/h2-10,12H,11H2,1H3,(H,20,21,23);1H	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	n/a	8.37E+4	n/a	n/a	n/a	n/a	n/a
Defence Research & Development Establishment (DRDE) Curated by ChEMBL					Assay Description Reactivation of sarin-inhibited human acetylcholinesterase assessed as dissociation constant incubated for 60 mins using ATChI substrate by DTNB dye ...				Bioorg Med Chem 23: 4899-910 (2015) Article DOI: 10.1016/j.bmc.2015.05.027 BindingDB Entry DOI: 10.7270/Q2GQ70J1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108602 (CHEMBL3597942) Show SMILES [Cl-].Cc1ccc(cc1)-c1csc(NC(=O)C[n+]2ccc(\C=N\O)cc2)n1 Show InChI InChI=1S/C18H16N4O2S.ClH/c1-13-2-4-15(5-3-13)16-12-25-18(20-16)21-17(23)11-22-8-6-14(7-9-22)10-19-24;/h2-10,12H,11H2,1H3,(H,20,21,23);1H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	6.75E+4	n/a	n/a	n/a	n/a	n/a
Defence Research & Development Establishment (DRDE) Curated by ChEMBL					Assay Description Reactivation of sarin-inhibited human acetylcholinesterase assessed as dissociation constant incubated for 60 mins using ATChI substrate by DTNB dye ...				Bioorg Med Chem 23: 4899-910 (2015) Article DOI: 10.1016/j.bmc.2015.05.027 BindingDB Entry DOI: 10.7270/Q2GQ70J1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108603 (CHEMBL3596215) Show SMILES [I-].O\N=C\c1ccc[n+](CC(=O)Nc2nc(cs2)-c2ccccc2)c1 Show InChI InChI=1S/C17H14N4O2S.HI/c22-16(11-21-8-4-5-13(10-21)9-18-23)20-17-19-15(12-24-17)14-6-2-1-3-7-14;/h1-10,12H,11H2,(H-,19,20,22,23);1H/b18-9+;	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	n/a	6.83E+5	n/a	n/a	n/a	n/a	n/a
Defence Research & Development Establishment (DRDE) Curated by ChEMBL					Assay Description Reactivation of sarin-inhibited human acetylcholinesterase assessed as dissociation constant incubated for 60 mins using ATChI substrate by DTNB dye ...				Bioorg Med Chem 23: 4899-910 (2015) Article DOI: 10.1016/j.bmc.2015.05.027 BindingDB Entry DOI: 10.7270/Q2GQ70J1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108604 (CHEMBL3597941) Show SMILES [Cl-].O\N=C\c1cc[n+](CC(=O)Nc2nc(cs2)-c2ccccc2)cc1 Show InChI InChI=1S/C17H14N4O2S.ClH/c22-16(11-21-8-6-13(7-9-21)10-18-23)20-17-19-15(12-24-17)14-4-2-1-3-5-14;/h1-10,12H,11H2,(H,19,20,22);1H	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	n/a	8.69E+4	n/a	n/a	n/a	n/a	n/a
Defence Research & Development Establishment (DRDE) Curated by ChEMBL					Assay Description Reactivation of sarin-inhibited human acetylcholinesterase assessed as dissociation constant incubated for 60 mins using ATChI substrate by DTNB dye ...				Bioorg Med Chem 23: 4899-910 (2015) Article DOI: 10.1016/j.bmc.2015.05.027 BindingDB Entry DOI: 10.7270/Q2GQ70J1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108605 (CHEMBL3597940) Show SMILES [Cl-].O\N=C\c1ccc[n+](CC(=O)Nc2nccs2)c1 Show InChI InChI=1S/C11H10N4O2S.ClH/c16-10(14-11-12-3-5-18-11)8-15-4-1-2-9(7-15)6-13-17;/h1-7H,8H2,(H-,12,14,16,17);1H/b13-6+;	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	n/a	1.15E+5	n/a	n/a	n/a	n/a	n/a
Defence Research & Development Establishment (DRDE) Curated by ChEMBL					Assay Description Reactivation of sarin-inhibited human acetylcholinesterase assessed as dissociation constant incubated for 60 mins using ATChI substrate by DTNB dye ...				Bioorg Med Chem 23: 4899-910 (2015) Article DOI: 10.1016/j.bmc.2015.05.027 BindingDB Entry DOI: 10.7270/Q2GQ70J1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108607 (CHEMBL3597939) Show SMILES [Cl-].O\N=C\c1cc[n+](CC(=O)Nc2nccs2)cc1 Show InChI InChI=1S/C11H10N4O2S.ClH/c16-10(14-11-12-3-6-18-11)8-15-4-1-9(2-5-15)7-13-17;/h1-7H,8H2,(H,12,14,16);1H	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	n/a	6.30E+4	n/a	n/a	n/a	n/a	n/a
Defence Research & Development Establishment (DRDE) Curated by ChEMBL					Assay Description Reactivation of sarin-inhibited human acetylcholinesterase assessed as dissociation constant incubated for 60 mins using ATChI substrate by DTNB dye ...				Bioorg Med Chem 23: 4899-910 (2015) Article DOI: 10.1016/j.bmc.2015.05.027 BindingDB Entry DOI: 10.7270/Q2GQ70J1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50005579 (CHEMBL139148 | Obidoxime) Show SMILES O\N=C\c1cc[n+](COC[n+]2ccc(\C=N\O)cc2)cc1 Show InChI InChI=1S/C14H14N4O3/c19-15-9-13-1-5-17(6-2-13)11-21-12-18-7-3-14(4-8-18)10-16-20/h1-10H,11-12H2/p+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	2.02E+4	n/a	n/a	n/a	n/a	n/a
Defence Research & Development Establishment (DRDE) Curated by ChEMBL					Assay Description Reactivation of O-ethylsarin-inhibited human acetylcholinesterase assessed as dissociation constant incubated for 60 mins using ATChI substrate by DT...				Bioorg Med Chem 23: 4899-910 (2015) Article DOI: 10.1016/j.bmc.2015.05.027 BindingDB Entry DOI: 10.7270/Q2GQ70J1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108607 (CHEMBL3597939) Show SMILES [Cl-].O\N=C\c1cc[n+](CC(=O)Nc2nccs2)cc1 Show InChI InChI=1S/C11H10N4O2S.ClH/c16-10(14-11-12-3-6-18-11)8-15-4-1-9(2-5-15)7-13-17;/h1-7H,8H2,(H,12,14,16);1H	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	n/a	1.54E+4	n/a	n/a	n/a	n/a	n/a
Defence Research & Development Establishment (DRDE) Curated by ChEMBL					Assay Description Reactivation of VX-inhibited human acetylcholinesterase assessed as dissociation constant incubated for 60 mins using ATChI substrate by DTNB dye bas...				Bioorg Med Chem 23: 4899-910 (2015) Article DOI: 10.1016/j.bmc.2015.05.027 BindingDB Entry DOI: 10.7270/Q2GQ70J1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108605 (CHEMBL3597940) Show SMILES [Cl-].O\N=C\c1ccc[n+](CC(=O)Nc2nccs2)c1 Show InChI InChI=1S/C11H10N4O2S.ClH/c16-10(14-11-12-3-5-18-11)8-15-4-1-2-9(7-15)6-13-17;/h1-7H,8H2,(H-,12,14,16,17);1H/b13-6+;	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	n/a	9.83E+4	n/a	n/a	n/a	n/a	n/a
Defence Research & Development Establishment (DRDE) Curated by ChEMBL					Assay Description Reactivation of VX-inhibited human acetylcholinesterase assessed as dissociation constant incubated for 60 mins using ATChI substrate by DTNB dye bas...				Bioorg Med Chem 23: 4899-910 (2015) Article DOI: 10.1016/j.bmc.2015.05.027 BindingDB Entry DOI: 10.7270/Q2GQ70J1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108604 (CHEMBL3597941) Show SMILES [Cl-].O\N=C\c1cc[n+](CC(=O)Nc2nc(cs2)-c2ccccc2)cc1 Show InChI InChI=1S/C17H14N4O2S.ClH/c22-16(11-21-8-6-13(7-9-21)10-18-23)20-17-19-15(12-24-17)14-4-2-1-3-5-14;/h1-10,12H,11H2,(H,19,20,22);1H	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	n/a	2.14E+4	n/a	n/a	n/a	n/a	n/a
Defence Research & Development Establishment (DRDE) Curated by ChEMBL					Assay Description Reactivation of VX-inhibited human acetylcholinesterase assessed as dissociation constant incubated for 60 mins using ATChI substrate by DTNB dye bas...				Bioorg Med Chem 23: 4899-910 (2015) Article DOI: 10.1016/j.bmc.2015.05.027 BindingDB Entry DOI: 10.7270/Q2GQ70J1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108603 (CHEMBL3596215) Show SMILES [I-].O\N=C\c1ccc[n+](CC(=O)Nc2nc(cs2)-c2ccccc2)c1 Show InChI InChI=1S/C17H14N4O2S.HI/c22-16(11-21-8-4-5-13(10-21)9-18-23)20-17-19-15(12-24-17)14-6-2-1-3-7-14;/h1-10,12H,11H2,(H-,19,20,22,23);1H/b18-9+;	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	n/a	3.51E+5	n/a	n/a	n/a	n/a	n/a
Defence Research & Development Establishment (DRDE) Curated by ChEMBL					Assay Description Reactivation of VX-inhibited human acetylcholinesterase assessed as dissociation constant incubated for 60 mins using ATChI substrate by DTNB dye bas...				Bioorg Med Chem 23: 4899-910 (2015) Article DOI: 10.1016/j.bmc.2015.05.027 BindingDB Entry DOI: 10.7270/Q2GQ70J1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108602 (CHEMBL3597942) Show SMILES [Cl-].Cc1ccc(cc1)-c1csc(NC(=O)C[n+]2ccc(\C=N\O)cc2)n1 Show InChI InChI=1S/C18H16N4O2S.ClH/c1-13-2-4-15(5-3-13)16-12-25-18(20-16)21-17(23)11-22-8-6-14(7-9-22)10-19-24;/h2-10,12H,11H2,1H3,(H,20,21,23);1H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	5.72E+4	n/a	n/a	n/a	n/a	n/a
Defence Research & Development Establishment (DRDE) Curated by ChEMBL					Assay Description Reactivation of VX-inhibited human acetylcholinesterase assessed as dissociation constant incubated for 60 mins using ATChI substrate by DTNB dye bas...				Bioorg Med Chem 23: 4899-910 (2015) Article DOI: 10.1016/j.bmc.2015.05.027 BindingDB Entry DOI: 10.7270/Q2GQ70J1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108610 (CHEMBL3597943) Show SMILES [Cl-].Cc1ccc(cc1)-c1csc(NC(=O)C[n+]2cccc(\C=N\O)c2)n1 Show InChI InChI=1S/C18H16N4O2S.ClH/c1-13-4-6-15(7-5-13)16-12-25-18(20-16)21-17(23)11-22-8-2-3-14(10-22)9-19-24;/h2-10,12H,11H2,1H3,(H-,20,21,23,24);1H/b19-9+;	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	n/a	1.46E+5	n/a	n/a	n/a	n/a	n/a
Defence Research & Development Establishment (DRDE) Curated by ChEMBL					Assay Description Reactivation of VX-inhibited human acetylcholinesterase assessed as dissociation constant incubated for 60 mins using ATChI substrate by DTNB dye bas...				Bioorg Med Chem 23: 4899-910 (2015) Article DOI: 10.1016/j.bmc.2015.05.027 BindingDB Entry DOI: 10.7270/Q2GQ70J1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108601 (CHEMBL3597944) Show SMILES [I-].COc1ccc(cc1)-c1csc(NC(=O)C[n+]2ccc(\C=N\O)cc2)n1 Show InChI InChI=1S/C18H16N4O3S.HI/c1-25-15-4-2-14(3-5-15)16-12-26-18(20-16)21-17(23)11-22-8-6-13(7-9-22)10-19-24;/h2-10,12H,11H2,1H3,(H,20,21,23);1H	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	n/a	7.36E+4	n/a	n/a	n/a	n/a	n/a
Defence Research & Development Establishment (DRDE) Curated by ChEMBL					Assay Description Reactivation of VX-inhibited human acetylcholinesterase assessed as dissociation constant incubated for 60 mins using ATChI substrate by DTNB dye bas...				Bioorg Med Chem 23: 4899-910 (2015) Article DOI: 10.1016/j.bmc.2015.05.027 BindingDB Entry DOI: 10.7270/Q2GQ70J1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108609 (CHEMBL3597945) Show SMILES [I-].COc1ccc(cc1)-c1csc(NC(=O)C[n+]2cccc(\C=N\O)c2)n1 Show InChI InChI=1S/C18H16N4O3S.HI/c1-25-15-6-4-14(5-7-15)16-12-26-18(20-16)21-17(23)11-22-8-2-3-13(10-22)9-19-24;/h2-10,12H,11H2,1H3,(H-,20,21,23,24);1H/b19-9+;	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	n/a	1.14E+5	n/a	n/a	n/a	n/a	n/a
Defence Research & Development Establishment (DRDE) Curated by ChEMBL					Assay Description Reactivation of VX-inhibited human acetylcholinesterase assessed as dissociation constant incubated for 60 mins using ATChI substrate by DTNB dye bas...				Bioorg Med Chem 23: 4899-910 (2015) Article DOI: 10.1016/j.bmc.2015.05.027 BindingDB Entry DOI: 10.7270/Q2GQ70J1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108600 (CHEMBL3597946) Show SMILES [Cl-].CCOC(=O)Cc1csc(NC(=O)C[n+]2ccc(\C=N\O)cc2)n1 Show InChI InChI=1S/C15H16N4O4S.ClH/c1-2-23-14(21)7-12-10-24-15(17-12)18-13(20)9-19-5-3-11(4-6-19)8-16-22;/h3-6,8,10H,2,7,9H2,1H3,(H,17,18,20);1H	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	n/a	1.29E+4	n/a	n/a	n/a	n/a	n/a
Defence Research & Development Establishment (DRDE) Curated by ChEMBL					Assay Description Reactivation of VX-inhibited human acetylcholinesterase assessed as dissociation constant incubated for 60 mins using ATChI substrate by DTNB dye bas...				Bioorg Med Chem 23: 4899-910 (2015) Article DOI: 10.1016/j.bmc.2015.05.027 BindingDB Entry DOI: 10.7270/Q2GQ70J1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108599 (CHEMBL3597947) Show SMILES [Cl-].CCOC(=O)Cc1csc(NC(=O)C[n+]2cccc(\C=N\O)c2)n1 Show InChI InChI=1S/C15H16N4O4S.ClH/c1-2-23-14(21)6-12-10-24-15(17-12)18-13(20)9-19-5-3-4-11(8-19)7-16-22;/h3-5,7-8,10H,2,6,9H2,1H3,(H-,17,18,20,22);1H/b16-7+;	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	n/a	9.77E+4	n/a	n/a	n/a	n/a	n/a
Defence Research & Development Establishment (DRDE) Curated by ChEMBL					Assay Description Reactivation of VX-inhibited human acetylcholinesterase assessed as dissociation constant incubated for 60 mins using ATChI substrate by DTNB dye bas...				Bioorg Med Chem 23: 4899-910 (2015) Article DOI: 10.1016/j.bmc.2015.05.027 BindingDB Entry DOI: 10.7270/Q2GQ70J1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108574 (CHEMBL3597948) Show SMILES [Cl-].CCOC(=O)c1csc(NC(=O)C[n+]2ccc(\C=N\O)cc2)n1 Show InChI InChI=1S/C14H14N4O4S.ClH/c1-2-22-13(20)11-9-23-14(16-11)17-12(19)8-18-5-3-10(4-6-18)7-15-21;/h3-7,9H,2,8H2,1H3,(H,16,17,19);1H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a
Defence Research & Development Establishment (DRDE) Curated by ChEMBL					Assay Description Reactivation of VX-inhibited human acetylcholinesterase assessed as dissociation constant incubated for 60 mins using ATChI substrate by DTNB dye bas...				Bioorg Med Chem 23: 4899-910 (2015) Article DOI: 10.1016/j.bmc.2015.05.027 BindingDB Entry DOI: 10.7270/Q2GQ70J1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108608 (CHEMBL3597949) Show SMILES [Cl-].CCOC(=O)c1csc(NC(=O)C[n+]2cccc(\C=N\O)c2)n1 Show InChI InChI=1S/C14H14N4O4S.ClH/c1-2-22-13(20)11-9-23-14(16-11)17-12(19)8-18-5-3-4-10(7-18)6-15-21;/h3-7,9H,2,8H2,1H3,(H-,16,17,19,21);1H/b15-6+;	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	n/a	5.84E+4	n/a	n/a	n/a	n/a	n/a
Defence Research & Development Establishment (DRDE) Curated by ChEMBL					Assay Description Reactivation of VX-inhibited human acetylcholinesterase assessed as dissociation constant incubated for 60 mins using ATChI substrate by DTNB dye bas...				Bioorg Med Chem 23: 4899-910 (2015) Article DOI: 10.1016/j.bmc.2015.05.027 BindingDB Entry DOI: 10.7270/Q2GQ70J1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50011780 (2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...) Show SMILES C[n+]1ccccc1CN=O Show InChI InChI=1S/C7H9N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-5H,6H2,1H3/q+1	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	n/a	1.78E+4	n/a	n/a	n/a	n/a	n/a
Defence Research & Development Establishment (DRDE) Curated by ChEMBL					Assay Description Reactivation of VX-inhibited human acetylcholinesterase assessed as dissociation constant incubated for 60 mins using ATChI substrate by DTNB dye bas...				Bioorg Med Chem 23: 4899-910 (2015) Article DOI: 10.1016/j.bmc.2015.05.027 BindingDB Entry DOI: 10.7270/Q2GQ70J1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50005579 (CHEMBL139148 | Obidoxime) Show SMILES O\N=C\c1cc[n+](COC[n+]2ccc(\C=N\O)cc2)cc1 Show InChI InChI=1S/C14H14N4O3/c19-15-9-13-1-5-17(6-2-13)11-21-12-18-7-3-14(4-8-18)10-16-20/h1-10H,11-12H2/p+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	1.44E+4	n/a	n/a	n/a	n/a	n/a
Defence Research & Development Establishment (DRDE) Curated by ChEMBL					Assay Description Reactivation of VX-inhibited human acetylcholinesterase assessed as dissociation constant incubated for 60 mins using ATChI substrate by DTNB dye bas...				Bioorg Med Chem 23: 4899-910 (2015) Article DOI: 10.1016/j.bmc.2015.05.027 BindingDB Entry DOI: 10.7270/Q2GQ70J1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Potassium voltage-gated channel subfamily KQT member 1 (Homo sapiens (Human))	BDBM50390867 (CHEMBL2070959) Show SMILES COc1ccc(cc1)-c1csc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(cc2)C(F)(F)F)n1 |r| Show InChI InChI=1S/C23H22F3N3O4S2/c1-33-17-9-5-15(6-10-17)19-14-34-22(27-19)28-21(30)20-4-2-3-13-29(20)35(31,32)18-11-7-16(8-12-18)23(24,25)26/h5-12,14,20H,2-4,13H2,1H3,(H,27,28,30)/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.71E+3	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Activation of Kv7.1 channel expressed in CHO cells assessed as depolarization-induced thallium influx after 3 mins by patch clamp assay				Bioorg Med Chem Lett 22: 5936-41 (2012) Article DOI: 10.1016/j.bmcl.2012.07.060 BindingDB Entry DOI: 10.7270/Q25T3MKN
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 1 (Homo sapiens (Human))	BDBM50390868 (CHEMBL2070960) Show SMILES COc1ccc(cc1)-c1csc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2OC)n1 |r| Show InChI InChI=1S/C23H25N3O5S2/c1-30-17-12-10-16(11-13-17)18-15-32-23(24-18)25-22(27)19-7-5-6-14-26(19)33(28,29)21-9-4-3-8-20(21)31-2/h3-4,8-13,15,19H,5-7,14H2,1-2H3,(H,24,25,27)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.78E+3	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Activation of Kv7.1 channel expressed in CHO cells assessed as depolarization-induced thallium influx after 3 mins by patch clamp assay				Bioorg Med Chem Lett 22: 5936-41 (2012) Article DOI: 10.1016/j.bmcl.2012.07.060 BindingDB Entry DOI: 10.7270/Q25T3MKN
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 1 (Homo sapiens (Human))	BDBM50390869 (CHEMBL2070961) Show SMILES COc1ccc(cc1)-c1csc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccc(OC)c2)n1 |r| Show InChI InChI=1S/C23H25N3O5S2/c1-30-17-11-9-16(10-12-17)20-15-32-23(24-20)25-22(27)21-8-3-4-13-26(21)33(28,29)19-7-5-6-18(14-19)31-2/h5-7,9-12,14-15,21H,3-4,8,13H2,1-2H3,(H,24,25,27)/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	810	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Activation of Kv7.1 channel expressed in CHO cells assessed as depolarization-induced thallium influx after 3 mins by patch clamp assay				Bioorg Med Chem Lett 22: 5936-41 (2012) Article DOI: 10.1016/j.bmcl.2012.07.060 BindingDB Entry DOI: 10.7270/Q25T3MKN
					More data for this Ligand-Target Pair

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