Compile Data Set for Download or QSAR

Found 158 hits with Last Name = 'azzouz' and Initial = 'r'   

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))	BDBM50238227 (CHEMBL4071377) Show SMILES [Br-].COc1cc2CC(Cc3cc[n+](Cc4ccccc4)cc3C#N)C(=O)c2cc1OC Show InChI InChI=1S/C25H23N2O3.BrH/c1-29-23-12-19-11-20(25(28)22(19)13-24(23)30-2)10-18-8-9-27(16-21(18)14-26)15-17-6-4-3-5-7-17;/h3-9,12-13,16,20H,10-11,15H2,1-2H3;1H/q+1;/p-1	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	2.90	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of AChE in human erythrocytes using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ...				J Med Chem 60: 5909-5926 (2017) Article DOI: 10.1021/acs.jmedchem.7b00702 BindingDB Entry DOI: 10.7270/Q22V2JC5
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured every mi...				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				3D Structure (crystal)
Cholinesterase (Equus caballus (Horse))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured every mi...				J Med Chem 60: 5909-5926 (2017) Article DOI: 10.1021/acs.jmedchem.7b00702 BindingDB Entry DOI: 10.7270/Q22V2JC5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50238223 (CHEMBL4102333) Show SMILES [Br-].COc1cc2CC(Cc3cc[n+](Cc4cccc(Cl)c4)cc3C(C)=O)C(=O)c2cc1OC Show InChI InChI=1S/C26H25ClNO4.BrH/c1-16(29)23-15-28(14-17-5-4-6-21(27)9-17)8-7-18(23)10-20-11-19-12-24(31-2)25(32-3)13-22(19)26(20)30;/h4-9,12-13,15,20H,10-11,14H2,1-3H3;1H/q+1;/p-1	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	3.30	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of AChE in human erythrocytes using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ...				J Med Chem 60: 5909-5926 (2017) Article DOI: 10.1021/acs.jmedchem.7b00702 BindingDB Entry DOI: 10.7270/Q22V2JC5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50238216 (CHEMBL4095535) Show SMILES [Br-].COC(=O)c1c[n+](Cc2ccccc2C)ccc1CC1Cc2cc(OC)c(OC)cc2C1=O Show InChI InChI=1S/C27H28NO5.BrH/c1-17-7-5-6-8-19(17)15-28-10-9-18(23(16-28)27(30)33-4)11-21-12-20-13-24(31-2)25(32-3)14-22(20)26(21)29;/h5-10,13-14,16,21H,11-12,15H2,1-4H3;1H/q+1;/p-1	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	5.80	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of AChE in human erythrocytes using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ...				J Med Chem 60: 5909-5926 (2017) Article DOI: 10.1021/acs.jmedchem.7b00702 BindingDB Entry DOI: 10.7270/Q22V2JC5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50238235 (CHEMBL4081915) Show SMILES [Br-].COc1cc2CC(Cc3cc[n+](Cc4ccccc4C)cc3C(C)=O)C(=O)c2cc1OC Show InChI InChI=1S/C27H28NO4.BrH/c1-17-7-5-6-8-20(17)15-28-10-9-19(24(16-28)18(2)29)11-22-12-21-13-25(31-3)26(32-4)14-23(21)27(22)30;/h5-10,13-14,16,22H,11-12,15H2,1-4H3;1H/q+1;/p-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	8.80	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of AChE in human erythrocytes using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ...				J Med Chem 60: 5909-5926 (2017) Article DOI: 10.1021/acs.jmedchem.7b00702 BindingDB Entry DOI: 10.7270/Q22V2JC5
					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))	BDBM50238224 (CHEMBL4094081) Show SMILES [Br-].COc1cc2CC(Cc3cc[n+](Cc4cccc(C)c4)cc3C(C)=O)C(=O)c2cc1OC Show InChI InChI=1S/C27H28NO4.BrH/c1-17-6-5-7-19(10-17)15-28-9-8-20(24(16-28)18(2)29)11-22-12-21-13-25(31-3)26(32-4)14-23(21)27(22)30;/h5-10,13-14,16,22H,11-12,15H2,1-4H3;1H/q+1;/p-1	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	14	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of AChE in human erythrocytes using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ...				J Med Chem 60: 5909-5926 (2017) Article DOI: 10.1021/acs.jmedchem.7b00702 BindingDB Entry DOI: 10.7270/Q22V2JC5
					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))	BDBM50238213 (CHEMBL4066548) Show SMILES [Br-].COc1cc2CC(Cc3cc[n+](Cc4ccccc4Cl)cc3C(C)=O)C(=O)c2cc1OC Show InChI InChI=1S/C26H25ClNO4.BrH/c1-16(29)22-15-28(14-18-6-4-5-7-23(18)27)9-8-17(22)10-20-11-19-12-24(31-2)25(32-3)13-21(19)26(20)30;/h4-9,12-13,15,20H,10-11,14H2,1-3H3;1H/q+1;/p-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	18	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of AChE in human erythrocytes using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ...				J Med Chem 60: 5909-5926 (2017) Article DOI: 10.1021/acs.jmedchem.7b00702 BindingDB Entry DOI: 10.7270/Q22V2JC5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50238225 (CHEMBL4060011) Show SMILES [Br-].COc1cc2CC(Cc3cc[n+](Cc4ccccc4)cc3C(C)=O)C(=O)c2cc1OC Show InChI InChI=1S/C26H26NO4.BrH/c1-17(28)23-16-27(15-18-7-5-4-6-8-18)10-9-19(23)11-21-12-20-13-24(30-2)25(31-3)14-22(20)26(21)29;/h4-10,13-14,16,21H,11-12,15H2,1-3H3;1H/q+1;/p-1	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	18	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of AChE in human erythrocytes using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ...				J Med Chem 60: 5909-5926 (2017) Article DOI: 10.1021/acs.jmedchem.7b00702 BindingDB Entry DOI: 10.7270/Q22V2JC5
					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))	BDBM50238212 (CHEMBL4077952) Show SMILES COC(=O)c1c[n+](C)c2cccc(OC(=O)N(C)C)c2c1 Show InChI InChI=1S/C15H17N2O4/c1-16(2)15(19)21-13-7-5-6-12-11(13)8-10(9-17(12)3)14(18)20-4/h5-9H,1-4H3/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	20	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin)				J Med Chem 60: 5909-5926 (2017) Article DOI: 10.1021/acs.jmedchem.7b00702 BindingDB Entry DOI: 10.7270/Q22V2JC5
					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))	BDBM50238236 (CHEMBL4068149) Show SMILES [Br-].COC(=O)c1c[n+](Cc2ccccc2)ccc1CC1Cc2cc(OC)c(OC)cc2C1=O Show InChI InChI=1S/C26H26NO5.BrH/c1-30-23-13-19-12-20(25(28)21(19)14-24(23)31-2)11-18-9-10-27(16-22(18)26(29)32-3)15-17-7-5-4-6-8-17;/h4-10,13-14,16,20H,11-12,15H2,1-3H3;1H/q+1;/p-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	26	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of AChE in human erythrocytes using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ...				J Med Chem 60: 5909-5926 (2017) Article DOI: 10.1021/acs.jmedchem.7b00702 BindingDB Entry DOI: 10.7270/Q22V2JC5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50238220 (CHEMBL4074062) Show SMILES [Br-].CC(=O)c1c[n+](Cc2ccccc2C)ccc1CC1Cc2cc(C)c(C)cc2C1=O Show InChI InChI=1S/C27H28NO2.BrH/c1-17-7-5-6-8-22(17)15-28-10-9-21(26(16-28)20(4)29)13-24-14-23-11-18(2)19(3)12-25(23)27(24)30;/h5-12,16,24H,13-15H2,1-4H3;1H/q+1;/p-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	28	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of AChE in human erythrocytes using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ...				J Med Chem 60: 5909-5926 (2017) Article DOI: 10.1021/acs.jmedchem.7b00702 BindingDB Entry DOI: 10.7270/Q22V2JC5
					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))	BDBM50238222 (CHEMBL4094591) Show SMILES [Br-].COc1ccc2C(=O)C(Cc3cc[n+](Cc4ccccc4C)cc3C(C)=O)Cc2c1 Show InChI InChI=1S/C26H26NO3.BrH/c1-17-6-4-5-7-20(17)15-27-11-10-19(25(16-27)18(2)28)12-22-13-21-14-23(30-3)8-9-24(21)26(22)29;/h4-11,14,16,22H,12-13,15H2,1-3H3;1H/q+1;/p-1	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	30	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of AChE in human erythrocytes using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ...				J Med Chem 60: 5909-5926 (2017) Article DOI: 10.1021/acs.jmedchem.7b00702 BindingDB Entry DOI: 10.7270/Q22V2JC5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50117592 (1-Benzyl-4-(5,6-dimethoxy-1-oxo-indan-2-ylmethyl)-...) Show SMILES COc1cc2CC(Cc3cc[n+](Cc4ccccc4)cc3)C(=O)c2cc1OC Show InChI InChI=1S/C24H24NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-11,14-15,20H,12-13,16H2,1-2H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL 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 AChE in human erythrocytes using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ...				J Med Chem 60: 5909-5926 (2017) Article DOI: 10.1021/acs.jmedchem.7b00702 BindingDB Entry DOI: 10.7270/Q22V2JC5
					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))	BDBM50238228 (CHEMBL4092048) Show SMILES [Br-].COc1cc2CC(Cc3cc[n+](Cc4cccc(Cl)c4)cc3C(N)=O)C(=O)c2cc1OC Show InChI InChI=1S/C25H23ClN2O4.BrH/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;/h3-8,11-12,14,18H,9-10,13H2,1-2H3,(H-,27,30);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	41	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of AChE in human erythrocytes using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ...				J Med Chem 60: 5909-5926 (2017) Article DOI: 10.1021/acs.jmedchem.7b00702 BindingDB Entry DOI: 10.7270/Q22V2JC5
					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))	BDBM50238240 (CHEMBL4084371) Show SMILES [Br-].CC(=O)c1c[n+](Cc2ccccc2C)ccc1CC1Cc2cc3OCOc3cc2C1=O Show InChI InChI=1S/C26H24NO4.BrH/c1-16-5-3-4-6-19(16)13-27-8-7-18(23(14-27)17(2)28)9-21-10-20-11-24-25(31-15-30-24)12-22(20)26(21)29;/h3-8,11-12,14,21H,9-10,13,15H2,1-2H3;1H/q+1;/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of AChE in human erythrocytes using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ...				J Med Chem 60: 5909-5926 (2017) Article DOI: 10.1021/acs.jmedchem.7b00702 BindingDB Entry DOI: 10.7270/Q22V2JC5
					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))	BDBM50238219 (CHEMBL4072999) Show SMILES [Br-].CC(=O)c1c[n+](Cc2ccccc2C)ccc1CC1Cc2cc(C)ccc2C1=O Show InChI InChI=1S/C26H26NO2.BrH/c1-17-8-9-24-22(12-17)14-23(26(24)29)13-20-10-11-27(16-25(20)19(3)28)15-21-7-5-4-6-18(21)2;/h4-12,16,23H,13-15H2,1-3H3;1H/q+1;/p-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	91	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of AChE in human erythrocytes using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ...				J Med Chem 60: 5909-5926 (2017) Article DOI: 10.1021/acs.jmedchem.7b00702 BindingDB Entry DOI: 10.7270/Q22V2JC5
					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
Cholinesterase (Equus caballus (Horse))	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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	256	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured every mi...				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))	BDBM50238239 (CHEMBL4099873) Show SMILES [Br-].CC(=O)c1c[n+](Cc2ccccc2C)ccc1CC1Cc2cc(Cl)ccc2C1=O Show InChI InChI=1S/C25H23ClNO2.BrH/c1-16-5-3-4-6-19(16)14-27-10-9-18(24(15-27)17(2)28)11-21-12-20-13-22(26)7-8-23(20)25(21)29;/h3-10,13,15,21H,11-12,14H2,1-2H3;1H/q+1;/p-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	262	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of AChE in human erythrocytes using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ...				J Med Chem 60: 5909-5926 (2017) Article DOI: 10.1021/acs.jmedchem.7b00702 BindingDB Entry DOI: 10.7270/Q22V2JC5
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50238220 (CHEMBL4074062) Show SMILES [Br-].CC(=O)c1c[n+](Cc2ccccc2C)ccc1CC1Cc2cc(C)c(C)cc2C1=O Show InChI InChI=1S/C27H28NO2.BrH/c1-17-7-5-6-8-22(17)15-28-10-9-21(26(16-28)20(4)29)13-24-14-23-11-18(2)19(3)12-25(23)27(24)30;/h5-12,16,24H,13-15H2,1-4H3;1H/q+1;/p-1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	262	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured every mi...				J Med Chem 60: 5909-5926 (2017) Article DOI: 10.1021/acs.jmedchem.7b00702 BindingDB Entry DOI: 10.7270/Q22V2JC5
					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
Cholinesterase (Equus caballus (Horse))	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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	341	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured every mi...				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
Cholinesterase (Equus caballus (Horse))	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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	373	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured every mi...				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
Cholinesterase (Equus caballus (Horse))	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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	412	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured every mi...				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

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