Compile Data Set for Download or QSAR

Found 59 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50001655   

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))	BDBM50291665 (CHEMBL4165327) Show SMILES [Br-].COc1cc2CC(Cc3cc[n+](Cc4ccccc4)cc3Br)C(=O)c2cc1OC Show InChI InChI=1S/C24H23BrNO3.BrH/c1-28-22-12-18-11-19(24(27)20(18)13-23(22)29-2)10-17-8-9-26(15-21(17)25)14-16-6-4-3-5-7-16;/h3-9,12-13,15,19H,10-11,14H2,1-2H3;1H/q+1;/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	0.360	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ever...				Eur J Med Chem 145: 165-190 (2018) Article DOI: 10.1016/j.ejmech.2017.12.084 BindingDB Entry DOI: 10.7270/Q2FN18RR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50291432 (CHEMBL4159705) Show SMILES COc1cc2CC(Cc3cc[n+](Cc4cccc(Cl)c4)cc3C(C)=O)C(=O)c2cc1O Show InChI InChI=1S/C25H22ClNO4/c1-15(28)22-14-27(13-16-4-3-5-20(26)8-16)7-6-17(22)9-19-10-18-11-24(31-2)23(29)12-21(18)25(19)30/h3-8,11-12,14,19H,9-10,13H2,1-2H3/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	2.70	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ever...				Eur J Med Chem 145: 165-190 (2018) Article DOI: 10.1016/j.ejmech.2017.12.084 BindingDB Entry DOI: 10.7270/Q2FN18RR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50291438 (CHEMBL4161065) Show SMILES [Br-].COc1ccc2C(=O)C(Cc3cc[n+](Cc4ccccc4C)cc3C(C)=O)CCc2c1 Show InChI InChI=1S/C27H28NO3.BrH/c1-18-6-4-5-7-23(18)16-28-13-12-21(26(17-28)19(2)29)14-22-9-8-20-15-24(31-3)10-11-25(20)27(22)30;/h4-7,10-13,15,17,22H,8-9,14,16H2,1-3H3;1H/q+1;/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ever...				Eur J Med Chem 145: 165-190 (2018) Article DOI: 10.1016/j.ejmech.2017.12.084 BindingDB Entry DOI: 10.7270/Q2FN18RR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50291612 (CHEMBL4163678) Show SMILES [Br-].COc1ccc(cc1OC)C(=O)CCc1cc[n+](Cc2cccc(F)c2)cc1C#N Show InChI InChI=1S/C24H22FN2O3/c1-29-23-9-7-19(13-24(23)30-2)22(28)8-6-18-10-11-27(16-20(18)14-26)15-17-4-3-5-21(25)12-17/h3-5,7,9-13,16H,6,8,15H2,1-2H3/q+1	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	11	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ever...				Eur J Med Chem 145: 165-190 (2018) Article DOI: 10.1016/j.ejmech.2017.12.084 BindingDB Entry DOI: 10.7270/Q2FN18RR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50291664 (CHEMBL4173239) Show SMILES [Br-].COc1ccc2C(=O)C(Cc3cc[n+](Cc4cccc(C)c4)cc3Br)CCc2c1 Show InChI InChI=1S/C25H25BrNO2.BrH/c1-17-4-3-5-18(12-17)15-27-11-10-20(24(26)16-27)13-21-7-6-19-14-22(29-2)8-9-23(19)25(21)28;/h3-5,8-12,14,16,21H,6-7,13,15H2,1-2H3;1H/q+1;/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	17	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ever...				Eur J Med Chem 145: 165-190 (2018) Article DOI: 10.1016/j.ejmech.2017.12.084 BindingDB Entry DOI: 10.7270/Q2FN18RR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50291633 (CHEMBL4165973) Show SMILES [Br-].COc1ccc(cc1OC)C(=O)CCc1cc[n+](Cc2cccc(Cl)c2)cc1C(O)=O Show InChI InChI=1S/C24H22ClNO5/c1-30-22-9-7-18(13-23(22)31-2)21(27)8-6-17-10-11-26(15-20(17)24(28)29)14-16-4-3-5-19(25)12-16/h3-5,7,9-13,15H,6,8,14H2,1-2H3/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ever...				Eur J Med Chem 145: 165-190 (2018) Article DOI: 10.1016/j.ejmech.2017.12.084 BindingDB Entry DOI: 10.7270/Q2FN18RR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50291636 (CHEMBL4169938) Show SMILES [Br-].COc1cc2CCC(Cc3cc[n+](Cc4cccc(Cl)c4)cc3C(C)=O)C(=O)c2cc1OC Show InChI InChI=1S/C27H27ClNO4.BrH/c1-17(30)24-16-29(15-18-5-4-6-22(28)11-18)10-9-20(24)12-21-8-7-19-13-25(32-2)26(33-3)14-23(19)27(21)31;/h4-6,9-11,13-14,16,21H,7-8,12,15H2,1-3H3;1H/q+1;/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	21	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ever...				Eur J Med Chem 145: 165-190 (2018) Article DOI: 10.1016/j.ejmech.2017.12.084 BindingDB Entry DOI: 10.7270/Q2FN18RR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50291610 (CHEMBL4159880) Show SMILES [Br-].COc1ccc(cc1OC)C(=O)CCc1cc[n+](Cc2cccc(Cl)c2)cc1C#N Show InChI InChI=1S/C24H22ClN2O3/c1-29-23-9-7-19(13-24(23)30-2)22(28)8-6-18-10-11-27(16-20(18)14-26)15-17-4-3-5-21(25)12-17/h3-5,7,9-13,16H,6,8,15H2,1-2H3/q+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	22	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ever...				Eur J Med Chem 145: 165-190 (2018) Article DOI: 10.1016/j.ejmech.2017.12.084 BindingDB Entry DOI: 10.7270/Q2FN18RR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50291635 (CHEMBL4162015) Show SMILES [Br-].COc1cc2CCC(Cc3cc[n+](Cc4ccccc4)cc3C(C)=O)C(=O)c2cc1OC Show InChI InChI=1S/C27H28NO4.BrH/c1-18(29)24-17-28(16-19-7-5-4-6-8-19)12-11-21(24)13-22-10-9-20-14-25(31-2)26(32-3)15-23(20)27(22)30;/h4-8,11-12,14-15,17,22H,9-10,13,16H2,1-3H3;1H/q+1;/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	24	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ever...				Eur J Med Chem 145: 165-190 (2018) Article DOI: 10.1016/j.ejmech.2017.12.084 BindingDB Entry DOI: 10.7270/Q2FN18RR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50291435 (CHEMBL4177133) Show SMILES [Br-].COc1ccc2C(=O)C(Cc3cc[n+](Cc4ccccc4Cl)cc3C(C)=O)CCc2c1 Show InChI InChI=1S/C26H25ClNO3.BrH/c1-17(29)24-16-28(15-21-5-3-4-6-25(21)27)12-11-19(24)13-20-8-7-18-14-22(31-2)9-10-23(18)26(20)30;/h3-6,9-12,14,16,20H,7-8,13,15H2,1-2H3;1H/q+1;/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ever...				Eur J Med Chem 145: 165-190 (2018) Article DOI: 10.1016/j.ejmech.2017.12.084 BindingDB Entry DOI: 10.7270/Q2FN18RR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50291637 (CHEMBL4173784) Show SMILES [Br-].CC(=O)c1c[n+](Cc2ccccc2C)ccc1CC1Cc2cc(OCC(F)(F)F)ccc2C1=O Show InChI InChI=1S/C27H25F3NO3.BrH/c1-17-5-3-4-6-20(17)14-31-10-9-19(25(15-31)18(2)32)11-22-12-21-13-23(34-16-27(28,29)30)7-8-24(21)26(22)33;/h3-10,13,15,22H,11-12,14,16H2,1-2H3;1H/q+1;/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ever...				Eur J Med Chem 145: 165-190 (2018) Article DOI: 10.1016/j.ejmech.2017.12.084 BindingDB Entry DOI: 10.7270/Q2FN18RR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50291436 (CHEMBL4168037) Show SMILES [Br-].COc1ccc2C(=O)C(Cc3cc[n+](Cc4ccccc4F)cc3C(C)=O)CCc2c1 Show InChI InChI=1S/C26H25FNO3.BrH/c1-17(29)24-16-28(15-21-5-3-4-6-25(21)27)12-11-19(24)13-20-8-7-18-14-22(31-2)9-10-23(18)26(20)30;/h3-6,9-12,14,16,20H,7-8,13,15H2,1-2H3;1H/q+1;/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ever...				Eur J Med Chem 145: 165-190 (2018) Article DOI: 10.1016/j.ejmech.2017.12.084 BindingDB Entry DOI: 10.7270/Q2FN18RR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50291437 (CHEMBL4160115) Show SMILES [Br-].COc1ccc2C(=O)C(Cc3cc[n+](Cc4cccc(F)c4)cc3C(C)=O)CCc2c1 Show InChI InChI=1S/C26H25FNO3.BrH/c1-17(29)25-16-28(15-18-4-3-5-22(27)12-18)11-10-20(25)13-21-7-6-19-14-23(31-2)8-9-24(19)26(21)30;/h3-5,8-12,14,16,21H,6-7,13,15H2,1-2H3;1H/q+1;/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	56	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ever...				Eur J Med Chem 145: 165-190 (2018) Article DOI: 10.1016/j.ejmech.2017.12.084 BindingDB Entry DOI: 10.7270/Q2FN18RR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50291577 (CHEMBL4159243) Show SMILES [Br-].COC(=O)c1ccccc1C[n+]1ccc(CC2Cc3cc(OC)c(OC)cc3C2=O)c(c1)C(=O)Oc1c(Cl)cc(Cl)cc1Cl Show InChI InChI=1S/C33H27Cl3NO7.BrH/c1-41-28-12-20-11-21(30(38)24(20)15-29(28)42-2)10-18-8-9-37(16-19-6-4-5-7-23(19)32(39)43-3)17-25(18)33(40)44-31-26(35)13-22(34)14-27(31)36;/h4-9,12-15,17,21H,10-11,16H2,1-3H3;1H/q+1;/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	69	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ever...				Eur J Med Chem 145: 165-190 (2018) Article DOI: 10.1016/j.ejmech.2017.12.084 BindingDB Entry DOI: 10.7270/Q2FN18RR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50291434 (CHEMBL4166513) Show SMILES [Br-].COc1ccc2C(=O)C(Cc3cc[n+](Cc4cccc(Cl)c4)cc3C(C)=O)CCc2c1 Show InChI InChI=1S/C26H25ClNO3.BrH/c1-17(29)25-16-28(15-18-4-3-5-22(27)12-18)11-10-20(25)13-21-7-6-19-14-23(31-2)8-9-24(19)26(21)30;/h3-5,8-12,14,16,21H,6-7,13,15H2,1-2H3;1H/q+1;/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	71	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ever...				Eur J Med Chem 145: 165-190 (2018) Article DOI: 10.1016/j.ejmech.2017.12.084 BindingDB Entry DOI: 10.7270/Q2FN18RR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50291439 (CHEMBL4168987) Show SMILES [Br-].COc1ccc2C(=O)C(Cc3cc[n+](Cc4cccc(C)c4)cc3C(C)=O)CCc2c1 Show InChI InChI=1S/C27H28NO3.BrH/c1-18-5-4-6-20(13-18)16-28-12-11-22(26(17-28)19(2)29)14-23-8-7-21-15-24(31-3)9-10-25(21)27(23)30;/h4-6,9-13,15,17,23H,7-8,14,16H2,1-3H3;1H/q+1;/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	111	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ever...				Eur J Med Chem 145: 165-190 (2018) Article DOI: 10.1016/j.ejmech.2017.12.084 BindingDB Entry DOI: 10.7270/Q2FN18RR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50291433 (CHEMBL4170331) Show SMILES [Br-].CC(=O)c1c[n+](Cc2cccc(Cl)c2)ccc1CC1Cc2cc(O)ccc2C1=O Show InChI InChI=1S/C24H20ClNO3.BrH/c1-15(27)23-14-26(13-16-3-2-4-20(25)9-16)8-7-17(23)10-19-11-18-12-21(28)5-6-22(18)24(19)29;/h2-9,12,14,19H,10-11,13H2,1H3;1H	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	117	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ever...				Eur J Med Chem 145: 165-190 (2018) Article DOI: 10.1016/j.ejmech.2017.12.084 BindingDB Entry DOI: 10.7270/Q2FN18RR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50291575 (CHEMBL4165562) Show SMILES [Br-].COc1ccc(cc1OC)C(=O)CCc1cc[n+](Cc2cccc(Cl)c2)cc1C(C)=O Show InChI InChI=1S/C25H25ClNO4/c1-17(28)22-16-27(15-18-5-4-6-21(26)13-18)12-11-19(22)7-9-23(29)20-8-10-24(30-2)25(14-20)31-3/h4-6,8,10-14,16H,7,9,15H2,1-3H3/q+1	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	144	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ever...				Eur J Med Chem 145: 165-190 (2018) Article DOI: 10.1016/j.ejmech.2017.12.084 BindingDB Entry DOI: 10.7270/Q2FN18RR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50291616 (CHEMBL4171568) Show SMILES [Br-].COC(=O)c1c[n+](Cc2cccc(Cl)c2)ccc1CCC(=O)c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C25H25ClNO5/c1-30-23-10-8-19(14-24(23)31-2)22(28)9-7-18-11-12-27(16-21(18)25(29)32-3)15-17-5-4-6-20(26)13-17/h4-6,8,10-14,16H,7,9,15H2,1-3H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	171	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ever...				Eur J Med Chem 145: 165-190 (2018) Article DOI: 10.1016/j.ejmech.2017.12.084 BindingDB Entry DOI: 10.7270/Q2FN18RR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50291584 (CHEMBL4160696) Show SMILES COc1cc2CCC(CC3C=CN(Cc4ccccc4)C=C3C(C)=O)C(=O)c2cc1OC |c:10,21| Show InChI InChI=1S/C27H29NO4/c1-18(29)24-17-28(16-19-7-5-4-6-8-19)12-11-21(24)13-22-10-9-20-14-25(31-2)26(32-3)15-23(20)27(22)30/h4-8,11-12,14-15,17,21-22H,9-10,13,16H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	173	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ever...				Eur J Med Chem 145: 165-190 (2018) Article DOI: 10.1016/j.ejmech.2017.12.084 BindingDB Entry DOI: 10.7270/Q2FN18RR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50291568 (CHEMBL4176179) Show SMILES [I-].COc1ccc2C(=O)C(Cc3cc[n+](CC4CCCCC4)cc3C(C)=O)CCc2c1 Show InChI InChI=1S/C26H32NO3.HI/c1-18(28)25-17-27(16-19-6-4-3-5-7-19)13-12-21(25)14-22-9-8-20-15-23(30-2)10-11-24(20)26(22)29;/h10-13,15,17,19,22H,3-9,14,16H2,1-2H3;1H/q+1;/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	210	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ever...				Eur J Med Chem 145: 165-190 (2018) Article DOI: 10.1016/j.ejmech.2017.12.084 BindingDB Entry DOI: 10.7270/Q2FN18RR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50291606 (CHEMBL4164981) Show SMILES COc1ccc2C(=O)C(Cc3cc[n+](Cc4ccccc4C)cc3C(F)(F)F)CCc2c1 Show InChI InChI=1S/C26H25F3NO2/c1-17-5-3-4-6-21(17)15-30-12-11-19(24(16-30)26(27,28)29)13-20-8-7-18-14-22(32-2)9-10-23(18)25(20)31/h3-6,9-12,14,16,20H,7-8,13,15H2,1-2H3/q+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	242	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ever...				Eur J Med Chem 145: 165-190 (2018) Article DOI: 10.1016/j.ejmech.2017.12.084 BindingDB Entry DOI: 10.7270/Q2FN18RR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50291630 (CHEMBL4175003) Show SMILES [Br-].COc1ccc(cc1OC)C(=O)CCc1cc[n+](Cc2ccccc2C(F)(F)F)cc1C#N Show InChI InChI=1S/C25H22F3N2O3/c1-32-23-10-8-18(13-24(23)33-2)22(31)9-7-17-11-12-30(16-20(17)14-29)15-19-5-3-4-6-21(19)25(26,27)28/h3-6,8,10-13,16H,7,9,15H2,1-2H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	275	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ever...				Eur J Med Chem 145: 165-190 (2018) Article DOI: 10.1016/j.ejmech.2017.12.084 BindingDB Entry DOI: 10.7270/Q2FN18RR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50291584 (CHEMBL4160696) Show SMILES COc1cc2CCC(CC3C=CN(Cc4ccccc4)C=C3C(C)=O)C(=O)c2cc1OC |c:10,21| Show InChI InChI=1S/C27H29NO4/c1-18(29)24-17-28(16-19-7-5-4-6-8-19)12-11-21(24)13-22-10-9-20-14-25(31-2)26(32-3)15-23(20)27(22)30/h4-8,11-12,14-15,17,21-22H,9-10,13,16H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	286	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ever...				Eur J Med Chem 145: 165-190 (2018) Article DOI: 10.1016/j.ejmech.2017.12.084 BindingDB Entry DOI: 10.7270/Q2FN18RR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50291440 (CHEMBL4173405) Show SMILES [Br-].COc1ccc2C(=O)C(Cc3cc[n+](Cc4cccc(c4)C(F)(F)F)cc3C(C)=O)CCc2c1 Show InChI InChI=1S/C27H25F3NO3.BrH/c1-17(32)25-16-31(15-18-4-3-5-22(12-18)27(28,29)30)11-10-20(25)13-21-7-6-19-14-23(34-2)8-9-24(19)26(21)33;/h3-5,8-12,14,16,21H,6-7,13,15H2,1-2H3;1H/q+1;/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	308	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ever...				Eur J Med Chem 145: 165-190 (2018) Article DOI: 10.1016/j.ejmech.2017.12.084 BindingDB Entry DOI: 10.7270/Q2FN18RR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50291588 (CHEMBL4166464) Show SMILES [Br-].COc1ccc2C(=O)C(Cc3cc[n+](Cc4ccccc4Cl)cc3C(N)=O)CCc2c1 Show InChI InChI=1S/C25H23ClN2O3.BrH/c1-31-20-8-9-21-16(13-20)6-7-18(24(21)29)12-17-10-11-28(15-22(17)25(27)30)14-19-4-2-3-5-23(19)26;/h2-5,8-11,13,15,18H,6-7,12,14H2,1H3,(H-,27,30);1H	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	379	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ever...				Eur J Med Chem 145: 165-190 (2018) Article DOI: 10.1016/j.ejmech.2017.12.084 BindingDB Entry DOI: 10.7270/Q2FN18RR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50291584 (CHEMBL4160696) Show SMILES COc1cc2CCC(CC3C=CN(Cc4ccccc4)C=C3C(C)=O)C(=O)c2cc1OC |c:10,21| Show InChI InChI=1S/C27H29NO4/c1-18(29)24-17-28(16-19-7-5-4-6-8-19)12-11-21(24)13-22-10-9-20-14-25(31-2)26(32-3)15-23(20)27(22)30/h4-8,11-12,14-15,17,21-22H,9-10,13,16H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	415	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ever...				Eur J Med Chem 145: 165-190 (2018) Article DOI: 10.1016/j.ejmech.2017.12.084 BindingDB Entry DOI: 10.7270/Q2FN18RR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50291584 (CHEMBL4160696) Show SMILES COc1cc2CCC(CC3C=CN(Cc4ccccc4)C=C3C(C)=O)C(=O)c2cc1OC |c:10,21| Show InChI InChI=1S/C27H29NO4/c1-18(29)24-17-28(16-19-7-5-4-6-8-19)12-11-21(24)13-22-10-9-20-14-25(31-2)26(32-3)15-23(20)27(22)30/h4-8,11-12,14-15,17,21-22H,9-10,13,16H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	415	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ever...				Eur J Med Chem 145: 165-190 (2018) Article DOI: 10.1016/j.ejmech.2017.12.084 BindingDB Entry DOI: 10.7270/Q2FN18RR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50291505 (CHEMBL4172797) Show SMILES [Br-].COc1ccc2C(=O)C(Cc3cc[n+](Cc4ccc(C)cc4)cc3C(C)=O)CCc2c1 Show InChI InChI=1S/C27H28NO3.BrH/c1-18-4-6-20(7-5-18)16-28-13-12-22(26(17-28)19(2)29)14-23-9-8-21-15-24(31-3)10-11-25(21)27(23)30;/h4-7,10-13,15,17,23H,8-9,14,16H2,1-3H3;1H/q+1;/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	556	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ever...				Eur J Med Chem 145: 165-190 (2018) Article DOI: 10.1016/j.ejmech.2017.12.084 BindingDB Entry DOI: 10.7270/Q2FN18RR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50291504 (CHEMBL4172353) Show SMILES [Br-].COc1ccc2C(=O)C(Cc3cc[n+](Cc4ccc(Cl)cc4)cc3C(C)=O)CCc2c1 Show InChI InChI=1S/C26H25ClNO3.BrH/c1-17(29)25-16-28(15-18-3-7-22(27)8-4-18)12-11-20(25)13-21-6-5-19-14-23(31-2)9-10-24(19)26(21)30;/h3-4,7-12,14,16,21H,5-6,13,15H2,1-2H3;1H/q+1;/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	568	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ever...				Eur J Med Chem 145: 165-190 (2018) Article DOI: 10.1016/j.ejmech.2017.12.084 BindingDB Entry DOI: 10.7270/Q2FN18RR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50291587 (CHEMBL4174372) Show SMILES [Br-].COc1ccc2C(=O)C(Cc3cc[n+](Cc4ccccc4C)cc3C(N)=O)CCc2c1 Show InChI InChI=1S/C26H26N2O3.BrH/c1-17-5-3-4-6-21(17)15-28-12-11-19(24(16-28)26(27)30)13-20-8-7-18-14-22(31-2)9-10-23(18)25(20)29;/h3-6,9-12,14,16,20H,7-8,13,15H2,1-2H3,(H-,27,30);1H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	894	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ever...				Eur J Med Chem 145: 165-190 (2018) Article DOI: 10.1016/j.ejmech.2017.12.084 BindingDB Entry DOI: 10.7270/Q2FN18RR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50291579 (CHEMBL4173313) Show SMILES [Br-].COc1cc2CC(Cc3cc[n+](CCc4ccccc4)cc3C(N)=O)C(=O)c2cc1OC Show InChI InChI=1S/C26H26N2O4.BrH/c1-31-23-14-19-13-20(25(29)21(19)15-24(23)32-2)12-18-9-11-28(16-22(18)26(27)30)10-8-17-6-4-3-5-7-17;/h3-7,9,11,14-16,20H,8,10,12-13H2,1-2H3,(H-,27,30);1H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	896	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ever...				Eur J Med Chem 145: 165-190 (2018) Article DOI: 10.1016/j.ejmech.2017.12.084 BindingDB Entry DOI: 10.7270/Q2FN18RR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50291617 (CHEMBL4160310) Show SMILES COc1ccc(cc1OC)C(=O)CCC1C=CN(Cc2cccc(Cl)c2)C=C1C#N |c:16,28| Show InChI InChI=1S/C24H23ClN2O3/c1-29-23-9-7-19(13-24(23)30-2)22(28)8-6-18-10-11-27(16-20(18)14-26)15-17-4-3-5-21(25)12-17/h3-5,7,9-13,16,18H,6,8,15H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	923	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ever...				Eur J Med Chem 145: 165-190 (2018) Article DOI: 10.1016/j.ejmech.2017.12.084 BindingDB Entry DOI: 10.7270/Q2FN18RR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50291580 (CHEMBL4170940) Show SMILES [Br-].COc1cc2CC(Cc3cc[n+](Cc4cccc(C)n4)cc3C(N)=O)C(=O)c2cc1OC Show InChI InChI=1S/C25H25N3O4.BrH/c1-15-5-4-6-19(27-15)13-28-8-7-16(21(14-28)25(26)30)9-18-10-17-11-22(31-2)23(32-3)12-20(17)24(18)29;/h4-8,11-12,14,18H,9-10,13H2,1-3H3,(H-,26,30);1H	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	1.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ever...				Eur J Med Chem 145: 165-190 (2018) Article DOI: 10.1016/j.ejmech.2017.12.084 BindingDB Entry DOI: 10.7270/Q2FN18RR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50238234 (CHEMBL4101303) Show SMILES COc1cc2CC(CC3C=CN(Cc4cccc(Cl)c4)C=C3C(N)=O)C(=O)c2cc1OC |c:9,21| Show InChI InChI=1S/C25H25ClN2O4/c1-31-22-11-17-10-18(24(29)20(17)12-23(22)32-2)9-16-6-7-28(14-21(16)25(27)30)13-15-4-3-5-19(26)8-15/h3-8,11-12,14,16,18H,9-10,13H2,1-2H3,(H2,27,30)	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	5.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ever...				Eur J Med Chem 145: 165-190 (2018) Article DOI: 10.1016/j.ejmech.2017.12.084 BindingDB Entry DOI: 10.7270/Q2FN18RR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50238234 (CHEMBL4101303) Show SMILES COc1cc2CC(CC3C=CN(Cc4cccc(Cl)c4)C=C3C(N)=O)C(=O)c2cc1OC |c:9,21| Show InChI InChI=1S/C25H25ClN2O4/c1-31-22-11-17-10-18(24(29)20(17)12-23(22)32-2)9-16-6-7-28(14-21(16)25(27)30)13-15-4-3-5-19(26)8-15/h3-8,11-12,14,16,18H,9-10,13H2,1-2H3,(H2,27,30)	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	5.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ever...				Eur J Med Chem 145: 165-190 (2018) Article DOI: 10.1016/j.ejmech.2017.12.084 BindingDB Entry DOI: 10.7270/Q2FN18RR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50291631 (CHEMBL4163016) Show SMILES [Br-].COc1cc2CC(Cc3cc[n+](Cc4nc5ccccc5o4)cc3C(N)=O)C(=O)c2cc1OC Show InChI InChI=1S/C26H23N3O5.BrH/c1-32-22-11-16-10-17(25(30)18(16)12-23(22)33-2)9-15-7-8-29(13-19(15)26(27)31)14-24-28-20-5-3-4-6-21(20)34-24;/h3-8,11-13,17H,9-10,14H2,1-2H3,(H-,27,31);1H	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	9.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ever...				Eur J Med Chem 145: 165-190 (2018) Article DOI: 10.1016/j.ejmech.2017.12.084 BindingDB Entry DOI: 10.7270/Q2FN18RR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50291627 (CHEMBL4162692) Show SMILES COc1ccc2C(=O)C(CC3C=CN(Cc4ccccc4Cl)C=C3C(C)=O)CCc2c1 |c:11,23| Show InChI InChI=1S/C26H26ClNO3/c1-17(29)24-16-28(15-21-5-3-4-6-25(21)27)12-11-19(24)13-20-8-7-18-14-22(31-2)9-10-23(18)26(20)30/h3-6,9-12,14,16,19-20H,7-8,13,15H2,1-2H3	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+4	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ever...				Eur J Med Chem 145: 165-190 (2018) Article DOI: 10.1016/j.ejmech.2017.12.084 BindingDB Entry DOI: 10.7270/Q2FN18RR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50291626 (CHEMBL4174056) Show SMILES COc1ccc2C(=O)C(CC3C=CN(Cc4cccc(F)c4)C=C3C(C)=O)CCc2c1 |c:11,23| Show InChI InChI=1S/C26H26FNO3/c1-17(29)25-16-28(15-18-4-3-5-22(27)12-18)11-10-20(25)13-21-7-6-19-14-23(31-2)8-9-24(19)26(21)30/h3-5,8-12,14,16,20-21H,6-7,13,15H2,1-2H3	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ever...				Eur J Med Chem 145: 165-190 (2018) Article DOI: 10.1016/j.ejmech.2017.12.084 BindingDB Entry DOI: 10.7270/Q2FN18RR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50291625 (CHEMBL4166141) Show SMILES COc1ccc2C(=O)C(CC3C=CN(Cc4ccccc4F)C=C3C(C)=O)CCc2c1 |c:11,23| Show InChI InChI=1S/C26H26FNO3/c1-17(29)24-16-28(15-21-5-3-4-6-25(21)27)12-11-19(24)13-20-8-7-18-14-22(31-2)9-10-23(18)26(20)30/h3-6,9-12,14,16,19-20H,7-8,13,15H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ever...				Eur J Med Chem 145: 165-190 (2018) Article DOI: 10.1016/j.ejmech.2017.12.084 BindingDB Entry DOI: 10.7270/Q2FN18RR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50291623 (CHEMBL4174452) Show SMILES CC(=O)C1=CN(Cc2cccc(Cl)c2)C=CC1CC1Cc2cc(F)ccc2C1=O |c:15,t:3| Show InChI InChI=1S/C24H21ClFNO2/c1-15(28)23-14-27(13-16-3-2-4-20(25)9-16)8-7-17(23)10-19-11-18-12-21(26)5-6-22(18)24(19)29/h2-9,12,14,17,19H,10-11,13H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ever...				Eur J Med Chem 145: 165-190 (2018) Article DOI: 10.1016/j.ejmech.2017.12.084 BindingDB Entry DOI: 10.7270/Q2FN18RR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50291621 (CHEMBL4165631) Show SMILES COc1ccc(cc1OC)C(=O)CCC1C=CN(Cc2cccc(Cl)c2)C=C1C(C)=O |c:16,28| Show InChI InChI=1S/C25H26ClNO4/c1-17(28)22-16-27(15-18-5-4-6-21(26)13-18)12-11-19(22)7-9-23(29)20-8-10-24(30-2)25(14-20)31-3/h4-6,8,10-14,16,19H,7,9,15H2,1-3H3	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+4	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ever...				Eur J Med Chem 145: 165-190 (2018) Article DOI: 10.1016/j.ejmech.2017.12.084 BindingDB Entry DOI: 10.7270/Q2FN18RR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50291622 (CHEMBL4173562) Show SMILES COc1ccc(cc1OC)C(=O)CCC1C=CN(Cc2cccc(Cl)c2)C=C1C(N)=O |c:16,28| Show InChI InChI=1S/C24H25ClN2O4/c1-30-22-9-7-18(13-23(22)31-2)21(28)8-6-17-10-11-27(15-20(17)24(26)29)14-16-4-3-5-19(25)12-16/h3-5,7,9-13,15,17H,6,8,14H2,1-2H3,(H2,26,29)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ever...				Eur J Med Chem 145: 165-190 (2018) Article DOI: 10.1016/j.ejmech.2017.12.084 BindingDB Entry DOI: 10.7270/Q2FN18RR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50291618 (CHEMBL4168225) Show SMILES COC(=O)C1=CN(Cc2cccc(Cl)c2)C=CC1CCC(=O)c1ccc(OC)c(OC)c1 |c:16,t:4| Show InChI InChI=1S/C25H26ClNO5/c1-30-23-10-8-19(14-24(23)31-2)22(28)9-7-18-11-12-27(16-21(18)25(29)32-3)15-17-5-4-6-20(26)13-17/h4-6,8,10-14,16,18H,7,9,15H2,1-3H3	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+4	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ever...				Eur J Med Chem 145: 165-190 (2018) Article DOI: 10.1016/j.ejmech.2017.12.084 BindingDB Entry DOI: 10.7270/Q2FN18RR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50291663 (CHEMBL4163077) Show SMILES [Br-].CC(=O)c1c[n+](Cc2cccc(Cl)c2)ccc1CC1Cc2cc(F)ccc2C1=O Show InChI InChI=1S/C24H20ClFNO2.BrH/c1-15(28)23-14-27(13-16-3-2-4-20(25)9-16)8-7-17(23)10-19-11-18-12-21(26)5-6-22(18)24(19)29;/h2-9,12,14,19H,10-11,13H2,1H3;1H/q+1;/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+4	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ever...				Eur J Med Chem 145: 165-190 (2018) Article DOI: 10.1016/j.ejmech.2017.12.084 BindingDB Entry DOI: 10.7270/Q2FN18RR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50291629 (CHEMBL4170614) Show SMILES COc1ccc2C(=O)C(CC3C=CN(Cc4cccc(C)c4)C=C3C(C)=O)CCc2c1 |c:11,23| Show InChI InChI=1S/C27H29NO3/c1-18-5-4-6-20(13-18)16-28-12-11-22(26(17-28)19(2)29)14-23-8-7-21-15-24(31-3)9-10-25(21)27(23)30/h4-6,9-13,15,17,22-23H,7-8,14,16H2,1-3H3	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ever...				Eur J Med Chem 145: 165-190 (2018) Article DOI: 10.1016/j.ejmech.2017.12.084 BindingDB Entry DOI: 10.7270/Q2FN18RR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50291585 (CHEMBL4170921) Show SMILES [Br-].COc1ccc(cc1OC)C(=O)CCCCc1cc[n+](Cc2cccc(Cl)c2)cc1C(N)=O Show InChI InChI=1S/C26H27ClN2O4/c1-32-24-11-10-20(15-25(24)33-2)23(30)9-4-3-7-19-12-13-29(17-22(19)26(28)31)16-18-6-5-8-21(27)14-18/h5-6,8,10-15,17H,3-4,7,9,16H2,1-2H3,(H-,28,31)/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+4	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ever...				Eur J Med Chem 145: 165-190 (2018) Article DOI: 10.1016/j.ejmech.2017.12.084 BindingDB Entry DOI: 10.7270/Q2FN18RR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50291583 (CHEMBL4167954) Show SMILES COc1ccc2C(=O)C(CC3C=CN(Cc4ccccc4C)C=C3C(N)=O)CCc2c1 |c:11,23| Show InChI InChI=1S/C26H28N2O3/c1-17-5-3-4-6-21(17)15-28-12-11-19(24(16-28)26(27)30)13-20-8-7-18-14-22(31-2)9-10-23(18)25(20)29/h3-6,9-12,14,16,19-20H,7-8,13,15H2,1-2H3,(H2,27,30)	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+4	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ever...				Eur J Med Chem 145: 165-190 (2018) Article DOI: 10.1016/j.ejmech.2017.12.084 BindingDB Entry DOI: 10.7270/Q2FN18RR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50291582 (CHEMBL4175814) Show SMILES COc1ccc2C(=O)C(CC3C=CN(Cc4ccc(C)cc4)C=C3C(C)=O)CCc2c1 |c:11,23| Show InChI InChI=1S/C27H29NO3/c1-18-4-6-20(7-5-18)16-28-13-12-22(26(17-28)19(2)29)14-23-9-8-21-15-24(31-3)10-11-25(21)27(23)30/h4-7,10-13,15,17,22-23H,8-9,14,16H2,1-3H3	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+4	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ever...				Eur J Med Chem 145: 165-190 (2018) Article DOI: 10.1016/j.ejmech.2017.12.084 BindingDB Entry DOI: 10.7270/Q2FN18RR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50291581 (CHEMBL4162281) Show SMILES COc1ccc2C(=O)C(CC3C=CN(Cc4ccc(Cl)cc4)C=C3C(C)=O)CCc2c1 |c:11,23| Show InChI InChI=1S/C26H26ClNO3/c1-17(29)25-16-28(15-18-3-7-22(27)8-4-18)12-11-20(25)13-21-6-5-19-14-23(31-2)9-10-24(19)26(21)30/h3-4,7-12,14,16,20-21H,5-6,13,15H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ever...				Eur J Med Chem 145: 165-190 (2018) Article DOI: 10.1016/j.ejmech.2017.12.084 BindingDB Entry DOI: 10.7270/Q2FN18RR
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 59 total )  |  Next  |  Last  >>

Jump to: