Compile Data Set for Download or QSAR

Found 48 hits Enz. Inhib. hit(s) with all data for entry = 50000175   

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))	BDBM50246570 (CHEMBL4081509) Show SMILES [I-].CCCCN(CC(=O)NCc1ccccc1)C(=O)CCCCCn1cc[n+](C)c1\C=N/O Show InChI InChI=1S/C24H35N5O3/c1-3-4-14-29(20-22(30)25-18-21-11-7-5-8-12-21)24(31)13-9-6-10-15-28-17-16-27(2)23(28)19-26-32/h5,7-8,11-12,16-17,19H,3-4,6,9-10,13-15,18,20H2,1-2H3,(H,25,30)/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Reactivation of organophosphate inhibited human erythrocyte AChE assessed as organophosphate IC50 using acetylthiocholine iodide as substrate preincu...				J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50246567 (CHEMBL4063984) Show SMILES COc1ccc(CN(CC(=O)NCc2ccccc2)C(=O)CCCCCn2ccnc2\C=N\O)cc1 Show InChI InChI=1S/C27H33N5O4/c1-36-24-13-11-23(12-14-24)20-32(21-26(33)29-18-22-8-4-2-5-9-22)27(34)10-6-3-7-16-31-17-15-28-25(31)19-30-35/h2,4-5,8-9,11-15,17,19,35H,3,6-7,10,16,18,20-21H2,1H3,(H,29,33)/b30-19+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Reactivation of organophosphate inhibited human erythrocyte AChE assessed as organophosphate IC50 using acetylthiocholine iodide as substrate preincu...				J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50246564 (CHEMBL4091748) Show SMILES CCCCN(CC(=O)NCc1ccccc1)C(=O)CCCCCn1ccnc1\C=N\O Show InChI InChI=1S/C23H33N5O3/c1-2-3-14-28(19-22(29)25-17-20-10-6-4-7-11-20)23(30)12-8-5-9-15-27-16-13-24-21(27)18-26-31/h4,6-7,10-11,13,16,18,31H,2-3,5,8-9,12,14-15,17,19H2,1H3,(H,25,29)/b26-18+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Reactivation of organophosphate inhibited human erythrocyte AChE assessed as organophosphate IC50 using acetylthiocholine iodide as substrate preincu...				J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50246568 (CHEMBL4096126) Show SMILES [I-].CCCCN(CC(=O)NC(C)C)C(=O)CCCCCn1cc[n+](C)c1\C=N/O Show InChI InChI=1S/C20H35N5O3/c1-5-6-11-25(16-18(26)22-17(2)3)20(27)10-8-7-9-12-24-14-13-23(4)19(24)15-21-28/h13-15,17H,5-12,16H2,1-4H3,(H,22,26)/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Reactivation of organophosphate inhibited human erythrocyte AChE assessed as organophosphate IC50 using acetylthiocholine iodide as substrate preincu...				J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50246602 (CHEMBL4072579) Show SMILES COCCN(CC(=O)NCc1ccccc1)C(=O)CCCCCn1ccnc1\C=N\O Show InChI InChI=1S/C22H31N5O4/c1-31-15-14-27(18-21(28)24-16-19-8-4-2-5-9-19)22(29)10-6-3-7-12-26-13-11-23-20(26)17-25-30/h2,4-5,8-9,11,13,17,30H,3,6-7,10,12,14-16,18H2,1H3,(H,24,28)/b25-17+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Reactivation of organophosphate inhibited human erythrocyte AChE assessed as organophosphate IC50 using acetylthiocholine iodide as substrate preincu...				J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50246585 (CHEMBL4090842) Show SMILES COc1ccc(CN(CC(=O)NC(C)C)C(=O)CCCCCn2ccnc2\C=N\O)cc1 Show InChI InChI=1S/C23H33N5O4/c1-18(2)26-22(29)17-28(16-19-8-10-20(32-3)11-9-19)23(30)7-5-4-6-13-27-14-12-24-21(27)15-25-31/h8-12,14-15,18,31H,4-7,13,16-17H2,1-3H3,(H,26,29)/b25-15+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Reactivation of organophosphate inhibited human erythrocyte AChE assessed as organophosphate IC50 using acetylthiocholine iodide as substrate preincu...				J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50246565 (CHEMBL4068829) Show SMILES [I-].COc1ccc(CN(CC(=O)NC(C)C)C(=O)CCCCCn2cc[n+](C)c2\C=N/O)cc1 Show InChI InChI=1S/C24H35N5O4/c1-19(2)26-22(30)18-29(17-20-9-11-21(33-4)12-10-20)24(31)8-6-5-7-13-28-15-14-27(3)23(28)16-25-32/h9-12,14-16,19H,5-8,13,17-18H2,1-4H3,(H,26,30)/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Reactivation of organophosphate inhibited human erythrocyte AChE assessed as organophosphate IC50 using acetylthiocholine iodide as substrate preincu...				J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50246558 (CHEMBL4069847) Show SMILES CCCCN(CC(=O)NC(C)C)C(=O)CCCCCn1ccnc1\C=N\O Show InChI InChI=1S/C19H33N5O3/c1-4-5-11-24(15-18(25)22-16(2)3)19(26)9-7-6-8-12-23-13-10-20-17(23)14-21-27/h10,13-14,16,27H,4-9,11-12,15H2,1-3H3,(H,22,25)/b21-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Reactivation of organophosphate inhibited human erythrocyte AChE assessed as organophosphate IC50 using acetylthiocholine iodide as substrate preincu...				J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50246606 (CHEMBL4099486) Show SMILES COCCN(CC(=O)NC(C)C)C(=O)CCCCCn1ccnc1\C=N\O Show InChI InChI=1S/C18H31N5O4/c1-15(2)21-17(24)14-23(11-12-27-3)18(25)7-5-4-6-9-22-10-8-19-16(22)13-20-26/h8,10,13,15,26H,4-7,9,11-12,14H2,1-3H3,(H,21,24)/b20-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Reactivation of organophosphate inhibited human erythrocyte AChE assessed as organophosphate IC50 using acetylthiocholine iodide as substrate preincu...				J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50246559 (CHEMBL4059560) Show SMILES [I-].COc1ccc(CN(CC(=O)NCc2ccccc2)C(=O)CCCCCn2cc[n+](C)c2\C=N/O)cc1 Show InChI InChI=1S/C28H35N5O4/c1-31-17-18-32(27(31)20-30-36)16-8-4-7-11-28(35)33(21-24-12-14-25(37-2)15-13-24)22-26(34)29-19-23-9-5-3-6-10-23/h3,5-6,9-10,12-15,17-18,20H,4,7-8,11,16,19,21-22H2,1-2H3,(H,29,34)/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Reactivation of organophosphate inhibited human erythrocyte AChE assessed as organophosphate IC50 using acetylthiocholine iodide as substrate preincu...				J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50246565 (CHEMBL4068829) Show SMILES [I-].COc1ccc(CN(CC(=O)NC(C)C)C(=O)CCCCCn2cc[n+](C)c2\C=N/O)cc1 Show InChI InChI=1S/C24H35N5O4/c1-19(2)26-22(30)18-29(17-20-9-11-21(33-4)12-10-20)24(31)8-6-5-7-13-28-15-14-27(3)23(28)16-25-32/h9-12,14-16,19H,5-8,13,17-18H2,1-4H3,(H,26,30)/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	8.20E+4	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Reactivation of sarin inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substrate a...				J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50246568 (CHEMBL4096126) Show SMILES [I-].CCCCN(CC(=O)NC(C)C)C(=O)CCCCCn1cc[n+](C)c1\C=N/O Show InChI InChI=1S/C20H35N5O3/c1-5-6-11-25(16-18(26)22-17(2)3)20(27)10-8-7-9-12-24-14-13-23(4)19(24)15-21-28/h13-15,17H,5-12,16H2,1-4H3,(H,22,26)/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.13E+5	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Reactivation of sarin inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substrate a...				J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50246570 (CHEMBL4081509) Show SMILES [I-].CCCCN(CC(=O)NCc1ccccc1)C(=O)CCCCCn1cc[n+](C)c1\C=N/O Show InChI InChI=1S/C24H35N5O3/c1-3-4-14-29(20-22(30)25-18-21-11-7-5-8-12-21)24(31)13-9-6-10-15-28-17-16-27(2)23(28)19-26-32/h5,7-8,11-12,16-17,19H,3-4,6,9-10,13-15,18,20H2,1-2H3,(H,25,30)/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.52E+5	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Reactivation of sarin inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substrate a...				J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG
					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	2.76E+4	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Reactivation of sarin inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substrate a...				J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50333779 (1,3-Bis(4-(Hydroxyimino-methyl)-pyridinium)-2-oxap...) Show SMILES O=NCc1cc[n+](COC[n+]2ccc(CN=O)cc2)cc1 Show InChI InChI=1S/C14H16N4O3/c19-15-9-13-1-5-17(6-2-13)11-21-12-18-7-3-14(4-8-18)10-16-20/h1-8H,9-12H2/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	n/a	3.13E+4	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Reactivation of sarin inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substrate a...				J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50246558 (CHEMBL4069847) Show SMILES CCCCN(CC(=O)NC(C)C)C(=O)CCCCCn1ccnc1\C=N\O Show InChI InChI=1S/C19H33N5O3/c1-4-5-11-24(15-18(25)22-16(2)3)19(26)9-7-6-8-12-23-13-10-20-17(23)14-21-27/h10,13-14,16,27H,4-9,11-12,15H2,1-3H3,(H,22,25)/b21-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.14E+6	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Reactivation of cyclosarin inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substr...				J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50246567 (CHEMBL4063984) Show SMILES COc1ccc(CN(CC(=O)NCc2ccccc2)C(=O)CCCCCn2ccnc2\C=N\O)cc1 Show InChI InChI=1S/C27H33N5O4/c1-36-24-13-11-23(12-14-24)20-32(21-26(33)29-18-22-8-4-2-5-9-22)27(34)10-6-3-7-16-31-17-15-28-25(31)19-30-35/h2,4-5,8-9,11-15,17,19,35H,3,6-7,10,16,18,20-21H2,1H3,(H,29,33)/b30-19+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.74E+5	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Reactivation of cyclosarin inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substr...				J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50246564 (CHEMBL4091748) Show SMILES CCCCN(CC(=O)NCc1ccccc1)C(=O)CCCCCn1ccnc1\C=N\O Show InChI InChI=1S/C23H33N5O3/c1-2-3-14-28(19-22(29)25-17-20-10-6-4-7-11-20)23(30)12-8-5-9-15-27-16-13-24-21(27)18-26-31/h4,6-7,10-11,13,16,18,31H,2-3,5,8-9,12,14-15,17,19H2,1H3,(H,25,29)/b26-18+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.29E+5	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Reactivation of cyclosarin inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substr...				J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50246606 (CHEMBL4099486) Show SMILES COCCN(CC(=O)NC(C)C)C(=O)CCCCCn1ccnc1\C=N\O Show InChI InChI=1S/C18H31N5O4/c1-15(2)21-17(24)14-23(11-12-27-3)18(25)7-5-4-6-9-22-10-8-19-16(22)13-20-26/h8,10,13,15,26H,4-7,9,11-12,14H2,1-3H3,(H,21,24)/b20-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.47E+6	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Reactivation of cyclosarin inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substr...				J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50246565 (CHEMBL4068829) Show SMILES [I-].COc1ccc(CN(CC(=O)NC(C)C)C(=O)CCCCCn2cc[n+](C)c2\C=N/O)cc1 Show InChI InChI=1S/C24H35N5O4/c1-19(2)26-22(30)18-29(17-20-9-11-21(33-4)12-10-20)24(31)8-6-5-7-13-28-15-14-27(3)23(28)16-25-32/h9-12,14-16,19H,5-8,13,17-18H2,1-4H3,(H,26,30)/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	8.90E+4	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Reactivation of cyclosarin inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substr...				J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50246559 (CHEMBL4059560) Show SMILES [I-].COc1ccc(CN(CC(=O)NCc2ccccc2)C(=O)CCCCCn2cc[n+](C)c2\C=N/O)cc1 Show InChI InChI=1S/C28H35N5O4/c1-31-17-18-32(27(31)20-30-36)16-8-4-7-11-28(35)33(21-24-12-14-25(37-2)15-13-24)22-26(34)29-19-23-9-5-3-6-10-23/h3,5-6,9-10,12-15,17-18,20H,4,7-8,11,16,19,21-22H2,1-2H3,(H,29,34)/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.54E+4	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Reactivation of cyclosarin inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substr...				J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50246570 (CHEMBL4081509) Show SMILES [I-].CCCCN(CC(=O)NCc1ccccc1)C(=O)CCCCCn1cc[n+](C)c1\C=N/O Show InChI InChI=1S/C24H35N5O3/c1-3-4-14-29(20-22(30)25-18-21-11-7-5-8-12-21)24(31)13-9-6-10-15-28-17-16-27(2)23(28)19-26-32/h5,7-8,11-12,16-17,19H,3-4,6,9-10,13-15,18,20H2,1-2H3,(H,25,30)/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.22E+5	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Reactivation of cyclosarin inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substr...				J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG
					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	3.16E+6	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Reactivation of cyclosarin inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substr...				J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50246568 (CHEMBL4096126) Show SMILES [I-].CCCCN(CC(=O)NC(C)C)C(=O)CCCCCn1cc[n+](C)c1\C=N/O Show InChI InChI=1S/C20H35N5O3/c1-5-6-11-25(16-18(26)22-17(2)3)20(27)10-8-7-9-12-24-14-13-23(4)19(24)15-21-28/h13-15,17H,5-12,16H2,1-4H3,(H,22,26)/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.21E+5	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Reactivation of tabun inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substrate a...				J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG
					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	7.06E+5	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Reactivation of tabun inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substrate a...				J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50333779 (1,3-Bis(4-(Hydroxyimino-methyl)-pyridinium)-2-oxap...) Show SMILES O=NCc1cc[n+](COC[n+]2ccc(CN=O)cc2)cc1 Show InChI InChI=1S/C14H16N4O3/c19-15-9-13-1-5-17(6-2-13)11-21-12-18-7-3-14(4-8-18)10-16-20/h1-8H,9-12H2/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	n/a	9.73E+4	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Reactivation of tabun inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substrate a...				J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50246559 (CHEMBL4059560) Show SMILES [I-].COc1ccc(CN(CC(=O)NCc2ccccc2)C(=O)CCCCCn2cc[n+](C)c2\C=N/O)cc1 Show InChI InChI=1S/C28H35N5O4/c1-31-17-18-32(27(31)20-30-36)16-8-4-7-11-28(35)33(21-24-12-14-25(37-2)15-13-24)22-26(34)29-19-23-9-5-3-6-10-23/h3,5-6,9-10,12-15,17-18,20H,4,7-8,11,16,19,21-22H2,1-2H3,(H,29,34)/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Reactivation of sarin inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substrate a...				J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50246566 (CHEMBL4079076) Show SMILES [Cl-].[Cl-].NC(=O)c1cc[n+](COC[n+]2ccc(\C=N\O)cc2)cc1 Show InChI InChI=1S/C14H14N4O3/c15-14(19)13-3-7-18(8-4-13)11-21-10-17-5-1-12(2-6-17)9-16-20/h1-9H,10-11H2,(H-,15,19)/p+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	5.01E+4	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Reactivation of sarin inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substrate a...				J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50246602 (CHEMBL4072579) Show SMILES COCCN(CC(=O)NCc1ccccc1)C(=O)CCCCCn1ccnc1\C=N\O Show InChI InChI=1S/C22H31N5O4/c1-31-15-14-27(18-21(28)24-16-19-8-4-2-5-9-19)22(29)10-6-3-7-12-26-13-11-23-20(26)17-25-30/h2,4-5,8-9,11,13,17,30H,3,6-7,10,12,14-16,18H2,1H3,(H,24,28)/b25-17+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	7.82E+5	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Reactivation of cyclosarin inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substr...				J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50246567 (CHEMBL4063984) Show SMILES COc1ccc(CN(CC(=O)NCc2ccccc2)C(=O)CCCCCn2ccnc2\C=N\O)cc1 Show InChI InChI=1S/C27H33N5O4/c1-36-24-13-11-23(12-14-24)20-32(21-26(33)29-18-22-8-4-2-5-9-22)27(34)10-6-3-7-16-31-17-15-28-25(31)19-30-35/h2,4-5,8-9,11-15,17,19,35H,3,6-7,10,16,18,20-21H2,1H3,(H,29,33)/b30-19+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.55E+5	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Reactivation of sarin inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substrate a...				J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50246567 (CHEMBL4063984) Show SMILES COc1ccc(CN(CC(=O)NCc2ccccc2)C(=O)CCCCCn2ccnc2\C=N\O)cc1 Show InChI InChI=1S/C27H33N5O4/c1-36-24-13-11-23(12-14-24)20-32(21-26(33)29-18-22-8-4-2-5-9-22)27(34)10-6-3-7-16-31-17-15-28-25(31)19-30-35/h2,4-5,8-9,11-15,17,19,35H,3,6-7,10,16,18,20-21H2,1H3,(H,29,33)/b30-19+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.40E+5	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Reactivation of VX inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substrate addi...				J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG
					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	2.81E+4	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Reactivation of VX inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substrate addi...				J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50246606 (CHEMBL4099486) Show SMILES COCCN(CC(=O)NC(C)C)C(=O)CCCCCn1ccnc1\C=N\O Show InChI InChI=1S/C18H31N5O4/c1-15(2)21-17(24)14-23(11-12-27-3)18(25)7-5-4-6-9-22-10-8-19-16(22)13-20-26/h8,10,13,15,26H,4-7,9,11-12,14H2,1-3H3,(H,21,24)/b20-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.85E+5	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Reactivation of sarin inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substrate a...				J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50246568 (CHEMBL4096126) Show SMILES [I-].CCCCN(CC(=O)NC(C)C)C(=O)CCCCCn1cc[n+](C)c1\C=N/O Show InChI InChI=1S/C20H35N5O3/c1-5-6-11-25(16-18(26)22-17(2)3)20(27)10-8-7-9-12-24-14-13-23(4)19(24)15-21-28/h13-15,17H,5-12,16H2,1-4H3,(H,22,26)/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.67E+5	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Reactivation of cyclosarin inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substr...				J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50333779 (1,3-Bis(4-(Hydroxyimino-methyl)-pyridinium)-2-oxap...) Show SMILES O=NCc1cc[n+](COC[n+]2ccc(CN=O)cc2)cc1 Show InChI InChI=1S/C14H16N4O3/c19-15-9-13-1-5-17(6-2-13)11-21-12-18-7-3-14(4-8-18)10-16-20/h1-8H,9-12H2/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	n/a	9.46E+5	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Reactivation of cyclosarin inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substr...				J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50246570 (CHEMBL4081509) Show SMILES [I-].CCCCN(CC(=O)NCc1ccccc1)C(=O)CCCCCn1cc[n+](C)c1\C=N/O Show InChI InChI=1S/C24H35N5O3/c1-3-4-14-29(20-22(30)25-18-21-11-7-5-8-12-21)24(31)13-9-6-10-15-28-17-16-27(2)23(28)19-26-32/h5,7-8,11-12,16-17,19H,3-4,6,9-10,13-15,18,20H2,1-2H3,(H,25,30)/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Reactivation of tabun inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substrate a...				J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50246566 (CHEMBL4079076) Show SMILES [Cl-].[Cl-].NC(=O)c1cc[n+](COC[n+]2ccc(\C=N\O)cc2)cc1 Show InChI InChI=1S/C14H14N4O3/c15-14(19)13-3-7-18(8-4-13)11-21-10-17-5-1-12(2-6-17)9-16-20/h1-9H,10-11H2,(H-,15,19)/p+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	4.72E+4	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Reactivation of cyclosarin inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substr...				J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50246602 (CHEMBL4072579) Show SMILES COCCN(CC(=O)NCc1ccccc1)C(=O)CCCCCn1ccnc1\C=N\O Show InChI InChI=1S/C22H31N5O4/c1-31-15-14-27(18-21(28)24-16-19-8-4-2-5-9-19)22(29)10-6-3-7-12-26-13-11-23-20(26)17-25-30/h2,4-5,8-9,11,13,17,30H,3,6-7,10,12,14-16,18H2,1H3,(H,24,28)/b25-17+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.66E+6	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Reactivation of sarin inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substrate a...				J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50246585 (CHEMBL4090842) Show SMILES COc1ccc(CN(CC(=O)NC(C)C)C(=O)CCCCCn2ccnc2\C=N\O)cc1 Show InChI InChI=1S/C23H33N5O4/c1-18(2)26-22(29)17-28(16-19-8-10-20(32-3)11-9-19)23(30)7-5-4-6-13-27-14-12-24-21(27)15-25-31/h8-12,14-15,18,31H,4-7,13,16-17H2,1-3H3,(H,26,29)/b25-15+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	5.27E+5	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Reactivation of sarin inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substrate a...				J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50246564 (CHEMBL4091748) Show SMILES CCCCN(CC(=O)NCc1ccccc1)C(=O)CCCCCn1ccnc1\C=N\O Show InChI InChI=1S/C23H33N5O3/c1-2-3-14-28(19-22(29)25-17-20-10-6-4-7-11-20)23(30)12-8-5-9-15-27-16-13-24-21(27)18-26-31/h4,6-7,10-11,13,16,18,31H,2-3,5,8-9,12,14-15,17,19H2,1H3,(H,25,29)/b26-18+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.20E+6	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Reactivation of sarin inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substrate a...				J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50246566 (CHEMBL4079076) Show SMILES [Cl-].[Cl-].NC(=O)c1cc[n+](COC[n+]2ccc(\C=N\O)cc2)cc1 Show InChI InChI=1S/C14H14N4O3/c15-14(19)13-3-7-18(8-4-13)11-21-10-17-5-1-12(2-6-17)9-16-20/h1-9H,10-11H2,(H-,15,19)/p+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.15E+4	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Reactivation of VX inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substrate addi...				J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50333779 (1,3-Bis(4-(Hydroxyimino-methyl)-pyridinium)-2-oxap...) Show SMILES O=NCc1cc[n+](COC[n+]2ccc(CN=O)cc2)cc1 Show InChI InChI=1S/C14H16N4O3/c19-15-9-13-1-5-17(6-2-13)11-21-12-18-7-3-14(4-8-18)10-16-20/h1-8H,9-12H2/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	n/a	2.74E+4	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Reactivation of VX inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substrate addi...				J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50246559 (CHEMBL4059560) Show SMILES [I-].COc1ccc(CN(CC(=O)NCc2ccccc2)C(=O)CCCCCn2cc[n+](C)c2\C=N/O)cc1 Show InChI InChI=1S/C28H35N5O4/c1-31-17-18-32(27(31)20-30-36)16-8-4-7-11-28(35)33(21-24-12-14-25(37-2)15-13-24)22-26(34)29-19-23-9-5-3-6-10-23/h3,5-6,9-10,12-15,17-18,20H,4,7-8,11,16,19,21-22H2,1-2H3,(H,29,34)/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	5.20E+4	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Reactivation of VX inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substrate addi...				J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50246565 (CHEMBL4068829) Show SMILES [I-].COc1ccc(CN(CC(=O)NC(C)C)C(=O)CCCCCn2cc[n+](C)c2\C=N/O)cc1 Show InChI InChI=1S/C24H35N5O4/c1-19(2)26-22(30)18-29(17-20-9-11-21(33-4)12-10-20)24(31)8-6-5-7-13-28-15-14-27(3)23(28)16-25-32/h9-12,14-16,19H,5-8,13,17-18H2,1-4H3,(H,26,30)/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.16E+5	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Reactivation of VX inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substrate addi...				J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50246564 (CHEMBL4091748) Show SMILES CCCCN(CC(=O)NCc1ccccc1)C(=O)CCCCCn1ccnc1\C=N\O Show InChI InChI=1S/C23H33N5O3/c1-2-3-14-28(19-22(29)25-17-20-10-6-4-7-11-20)23(30)12-8-5-9-15-27-16-13-24-21(27)18-26-31/h4,6-7,10-11,13,16,18,31H,2-3,5,8-9,12,14-15,17,19H2,1H3,(H,25,29)/b26-18+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	8.16E+5	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Reactivation of VX inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substrate addi...				J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50246565 (CHEMBL4068829) Show SMILES [I-].COc1ccc(CN(CC(=O)NC(C)C)C(=O)CCCCCn2cc[n+](C)c2\C=N/O)cc1 Show InChI InChI=1S/C24H35N5O4/c1-19(2)26-22(30)18-29(17-20-9-11-21(33-4)12-10-20)24(31)8-6-5-7-13-28-15-14-27(3)23(28)16-25-32/h9-12,14-16,19H,5-8,13,17-18H2,1-4H3,(H,26,30)/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4.80E+4	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Reactivation of tabun inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substrate a...				J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50246558 (CHEMBL4069847) Show SMILES CCCCN(CC(=O)NC(C)C)C(=O)CCCCCn1ccnc1\C=N\O Show InChI InChI=1S/C19H33N5O3/c1-4-5-11-24(15-18(25)22-16(2)3)19(26)9-7-6-8-12-23-13-10-20-17(23)14-21-27/h10,13-14,16,27H,4-9,11-12,15H2,1-3H3,(H,22,25)/b21-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.96E+6	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Reactivation of sarin inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substrate a...				J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50246559 (CHEMBL4059560) Show SMILES [I-].COc1ccc(CN(CC(=O)NCc2ccccc2)C(=O)CCCCCn2cc[n+](C)c2\C=N/O)cc1 Show InChI InChI=1S/C28H35N5O4/c1-31-17-18-32(27(31)20-30-36)16-8-4-7-11-28(35)33(21-24-12-14-25(37-2)15-13-24)22-26(34)29-19-23-9-5-3-6-10-23/h3,5-6,9-10,12-15,17-18,20H,4,7-8,11,16,19,21-22H2,1-2H3,(H,29,34)/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Reactivation of tabun inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substrate a...				J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG
					More data for this Ligand-Target Pair