Compile Data Set for Download or QSAR

Found 32 hits Enz. Inhib. hit(s) with all data for entry = 50033284   

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
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	11	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE by Ellman's method				Eur J Med Chem 46: 1572-81 (2011) Article DOI: 10.1016/j.ejmech.2011.02.005 BindingDB Entry DOI: 10.7270/Q2TM7BFW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50342765 (4-(3-(Piperidin-1-yl)propoxy)-7H-dibenzo[de,h]quin...) Show SMILES O=C1c2ccccc2-c2nccc3c(OCCCN4CCCCC4)ccc1c23 Show InChI InChI=1S/C24H24N2O2/c27-24-18-8-3-2-7-17(18)23-22-19(11-12-25-23)21(10-9-20(22)24)28-16-6-15-26-13-4-1-5-14-26/h2-3,7-12H,1,4-6,13-16H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Eur J Med Chem 46: 1572-81 (2011) Article DOI: 10.1016/j.ejmech.2011.02.005 BindingDB Entry DOI: 10.7270/Q2TM7BFW
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50342763 (4-(3-(Diethylamino)propoxy)-7H-dibenzo[de,h]quinol...) Show SMILES CCN(CC)CCCOc1ccc2C(=O)c3ccccc3-c3nccc1c23 Show InChI InChI=1S/C23H24N2O2/c1-3-25(4-2)14-7-15-27-20-11-10-19-21-18(20)12-13-24-22(21)16-8-5-6-9-17(16)23(19)26/h5-6,8-13H,3-4,7,14-15H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34.3	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Eur J Med Chem 46: 1572-81 (2011) Article DOI: 10.1016/j.ejmech.2011.02.005 BindingDB Entry DOI: 10.7270/Q2TM7BFW
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50342764 (4-(2-(Piperidin-1-yl)ethoxy)-7H-dibenzo[de,h]quino...) Show SMILES O=C1c2ccccc2-c2nccc3c(OCCN4CCCCC4)ccc1c23 Show InChI InChI=1S/C23H22N2O2/c26-23-17-7-3-2-6-16(17)22-21-18(10-11-24-22)20(9-8-19(21)23)27-15-14-25-12-4-1-5-13-25/h2-3,6-11H,1,4-5,12-15H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Eur J Med Chem 46: 1572-81 (2011) Article DOI: 10.1016/j.ejmech.2011.02.005 BindingDB Entry DOI: 10.7270/Q2TM7BFW
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50342761 (1-methyl-1-(2-(7-oxo-7H-dibenzo[de,h]quinolin-3-yl...) Show SMILES C[N+]1(CCOc2cnc3-c4ccccc4C(=O)c4cccc2c34)CCCCC1 Show InChI InChI=1S/C24H25N2O2/c1-26(12-5-2-6-13-26)14-15-28-21-16-25-23-17-8-3-4-9-18(17)24(27)20-11-7-10-19(21)22(20)23/h3-4,7-11,16H,2,5-6,12-15H2,1H3/q+1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Eur J Med Chem 46: 1572-81 (2011) Article DOI: 10.1016/j.ejmech.2011.02.005 BindingDB Entry DOI: 10.7270/Q2TM7BFW
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	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)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	105	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Eur J Med Chem 46: 1572-81 (2011) Article DOI: 10.1016/j.ejmech.2011.02.005 BindingDB Entry DOI: 10.7270/Q2TM7BFW
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50342760 (1-methyl-1-(2-(7-oxo-7H-dibenzo[de,h]quinolin-3-yl...) Show SMILES C[N+]1(CCOc2cnc3-c4ccccc4C(=O)c4cccc2c34)CCCC1 Show InChI InChI=1S/C23H23N2O2/c1-25(11-4-5-12-25)13-14-27-20-15-24-22-16-7-2-3-8-17(16)23(26)19-10-6-9-18(20)21(19)22/h2-3,6-10,15H,4-5,11-14H2,1H3/q+1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	145	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Eur J Med Chem 46: 1572-81 (2011) Article DOI: 10.1016/j.ejmech.2011.02.005 BindingDB Entry DOI: 10.7270/Q2TM7BFW
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50342762 (4-(2-(Diethylamino)ethoxy)-7H-dibenzo[de,h]quinoli...) Show SMILES CCN(CC)CCOc1ccc2C(=O)c3ccccc3-c3nccc1c23 Show InChI InChI=1S/C22H22N2O2/c1-3-24(4-2)13-14-26-19-10-9-18-20-17(19)11-12-23-21(20)15-7-5-6-8-16(15)22(18)25/h5-12H,3-4,13-14H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	201	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Eur J Med Chem 46: 1572-81 (2011) Article DOI: 10.1016/j.ejmech.2011.02.005 BindingDB Entry DOI: 10.7270/Q2TM7BFW
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50342761 (1-methyl-1-(2-(7-oxo-7H-dibenzo[de,h]quinolin-3-yl...) Show SMILES C[N+]1(CCOc2cnc3-c4ccccc4C(=O)c4cccc2c34)CCCCC1 Show InChI InChI=1S/C24H25N2O2/c1-26(12-5-2-6-13-26)14-15-28-21-16-25-23-17-8-3-4-9-18(17)24(27)20-11-7-10-19(21)22(20)23/h3-4,7-11,16H,2,5-6,12-15H2,1H3/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	255	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE by Ellman's method				Eur J Med Chem 46: 1572-81 (2011) Article DOI: 10.1016/j.ejmech.2011.02.005 BindingDB Entry DOI: 10.7270/Q2TM7BFW
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50342759 (CHEMBL1770197 | N,N-diethyl-N-methyl-2-(7-oxo-7H-d...) Show SMILES CC[N+](C)(CC)CCOc1cnc2-c3ccccc3C(=O)c3cccc1c23 Show InChI InChI=1S/C23H25N2O2/c1-4-25(3,5-2)13-14-27-20-15-24-22-16-9-6-7-10-17(16)23(26)19-12-8-11-18(20)21(19)22/h6-12,15H,4-5,13-14H2,1-3H3/q+1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	258	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Eur J Med Chem 46: 1572-81 (2011) Article DOI: 10.1016/j.ejmech.2011.02.005 BindingDB Entry DOI: 10.7270/Q2TM7BFW
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50342760 (1-methyl-1-(2-(7-oxo-7H-dibenzo[de,h]quinolin-3-yl...) Show SMILES C[N+]1(CCOc2cnc3-c4ccccc4C(=O)c4cccc2c34)CCCC1 Show InChI InChI=1S/C23H23N2O2/c1-25(11-4-5-12-25)13-14-27-20-15-24-22-16-7-2-3-8-17(16)23(26)19-10-6-9-18(20)21(19)22/h2-3,6-10,15H,4-5,11-14H2,1H3/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	302	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE by Ellman's method				Eur J Med Chem 46: 1572-81 (2011) Article DOI: 10.1016/j.ejmech.2011.02.005 BindingDB Entry DOI: 10.7270/Q2TM7BFW
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50342757 (3-(2-(Piperidin-1-yl)ethoxy)-7H-dibenzo[de,h]quino...) Show SMILES O=C1c2ccccc2-c2ncc(OCCN3CCCCC3)c3cccc1c23 Show InChI InChI=1S/C23H22N2O2/c26-23-17-8-3-2-7-16(17)22-21-18(9-6-10-19(21)23)20(15-24-22)27-14-13-25-11-4-1-5-12-25/h2-3,6-10,15H,1,4-5,11-14H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	375	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Eur J Med Chem 46: 1572-81 (2011) Article DOI: 10.1016/j.ejmech.2011.02.005 BindingDB Entry DOI: 10.7270/Q2TM7BFW
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50342768 (4-(3-(Dimethylamino)propylamino)-7H-dibenzo[de,h]q...) Show SMILES CN(C)CCCNc1ccc2C(=O)c3ccccc3-c3nccc1c23 Show InChI InChI=1S/C21H21N3O/c1-24(2)13-5-11-22-18-9-8-17-19-16(18)10-12-23-20(19)14-6-3-4-7-15(14)21(17)25/h3-4,6-10,12,22H,5,11,13H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	398	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Eur J Med Chem 46: 1572-81 (2011) Article DOI: 10.1016/j.ejmech.2011.02.005 BindingDB Entry DOI: 10.7270/Q2TM7BFW
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50342767 (4-(3-(4-Methylpiperazin-1-yl)propoxy)-7H-dibenzo[d...) Show SMILES CN1CCN(CCCOc2ccc3C(=O)c4ccccc4-c4nccc2c34)CC1 Show InChI InChI=1S/C24H25N3O2/c1-26-12-14-27(15-13-26)11-4-16-29-21-8-7-20-22-19(21)9-10-25-23(22)17-5-2-3-6-18(17)24(20)28/h2-3,5-10H,4,11-16H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	405	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Eur J Med Chem 46: 1572-81 (2011) Article DOI: 10.1016/j.ejmech.2011.02.005 BindingDB Entry DOI: 10.7270/Q2TM7BFW
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50342766 (4-(2-(4-Methylpiperazin-1-yl)ethoxy)-7H-dibenzo[de...) Show SMILES CN1CCN(CCOc2ccc3C(=O)c4ccccc4-c4nccc2c34)CC1 Show InChI InChI=1S/C23H23N3O2/c1-25-10-12-26(13-11-25)14-15-28-20-7-6-19-21-18(20)8-9-24-22(21)16-4-2-3-5-17(16)23(19)27/h2-9H,10-15H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	432	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Eur J Med Chem 46: 1572-81 (2011) Article DOI: 10.1016/j.ejmech.2011.02.005 BindingDB Entry DOI: 10.7270/Q2TM7BFW
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50342756 (3-(2-(Pyrrolidin-1-yl)ethoxy)-7H-dibenzo[de,h]quin...) Show SMILES O=C1c2ccccc2-c2ncc(OCCN3CCCC3)c3cccc1c23 Show InChI InChI=1S/C22H20N2O2/c25-22-16-7-2-1-6-15(16)21-20-17(8-5-9-18(20)22)19(14-23-21)26-13-12-24-10-3-4-11-24/h1-2,5-9,14H,3-4,10-13H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	471	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Eur J Med Chem 46: 1572-81 (2011) Article DOI: 10.1016/j.ejmech.2011.02.005 BindingDB Entry DOI: 10.7270/Q2TM7BFW
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50342755 (3-(2-(Diethylamino)ethoxy)-7H-dibenzo[de,h]quinoli...) Show SMILES CCN(CC)CCOc1cnc2-c3ccccc3C(=O)c3cccc1c23 Show InChI InChI=1S/C22H22N2O2/c1-3-24(4-2)12-13-26-19-14-23-21-15-8-5-6-9-16(15)22(25)18-11-7-10-17(19)20(18)21/h5-11,14H,3-4,12-13H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Eur J Med Chem 46: 1572-81 (2011) Article DOI: 10.1016/j.ejmech.2011.02.005 BindingDB Entry DOI: 10.7270/Q2TM7BFW
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50342759 (CHEMBL1770197 | N,N-diethyl-N-methyl-2-(7-oxo-7H-d...) Show SMILES CC[N+](C)(CC)CCOc1cnc2-c3ccccc3C(=O)c3cccc1c23 Show InChI InChI=1S/C23H25N2O2/c1-4-25(3,5-2)13-14-27-20-15-24-22-16-9-6-7-10-17(16)23(26)19-12-8-11-18(20)21(19)22/h6-12,15H,4-5,13-14H2,1-3H3/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	708	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE by Ellman's method				Eur J Med Chem 46: 1572-81 (2011) Article DOI: 10.1016/j.ejmech.2011.02.005 BindingDB Entry DOI: 10.7270/Q2TM7BFW
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50342757 (3-(2-(Piperidin-1-yl)ethoxy)-7H-dibenzo[de,h]quino...) Show SMILES O=C1c2ccccc2-c2ncc(OCCN3CCCCC3)c3cccc1c23 Show InChI InChI=1S/C23H22N2O2/c26-23-17-8-3-2-7-16(17)22-21-18(9-6-10-19(21)23)20(15-24-22)27-14-13-25-11-4-1-5-12-25/h2-3,6-10,15H,1,4-5,11-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	723	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE by Ellman's method				Eur J Med Chem 46: 1572-81 (2011) Article DOI: 10.1016/j.ejmech.2011.02.005 BindingDB Entry DOI: 10.7270/Q2TM7BFW
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50342756 (3-(2-(Pyrrolidin-1-yl)ethoxy)-7H-dibenzo[de,h]quin...) Show SMILES O=C1c2ccccc2-c2ncc(OCCN3CCCC3)c3cccc1c23 Show InChI InChI=1S/C22H20N2O2/c25-22-16-7-2-1-6-15(16)21-20-17(8-5-9-18(20)22)19(14-23-21)26-13-12-24-10-3-4-11-24/h1-2,5-9,14H,3-4,10-13H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE by Ellman's method				Eur J Med Chem 46: 1572-81 (2011) Article DOI: 10.1016/j.ejmech.2011.02.005 BindingDB Entry DOI: 10.7270/Q2TM7BFW
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50342765 (4-(3-(Piperidin-1-yl)propoxy)-7H-dibenzo[de,h]quin...) Show SMILES O=C1c2ccccc2-c2nccc3c(OCCCN4CCCCC4)ccc1c23 Show InChI InChI=1S/C24H24N2O2/c27-24-18-8-3-2-7-17(18)23-22-19(11-12-25-23)21(10-9-20(22)24)28-16-6-15-26-13-4-1-5-14-26/h2-3,7-12H,1,4-6,13-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	905	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE by Ellman's method				Eur J Med Chem 46: 1572-81 (2011) Article DOI: 10.1016/j.ejmech.2011.02.005 BindingDB Entry DOI: 10.7270/Q2TM7BFW
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50342758 (CHEMBL1770198 | N,N,N-trimethyl-2-(7-oxo-7H-dibenz...) Show SMILES C[N+](C)(C)CCOc1cnc2-c3ccccc3C(=O)c3cccc1c23 Show InChI InChI=1S/C21H21N2O2/c1-23(2,3)11-12-25-18-13-22-20-14-7-4-5-8-15(14)21(24)17-10-6-9-16(18)19(17)20/h4-10,13H,11-12H2,1-3H3/q+1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	933	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Eur J Med Chem 46: 1572-81 (2011) Article DOI: 10.1016/j.ejmech.2011.02.005 BindingDB Entry DOI: 10.7270/Q2TM7BFW
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50342758 (CHEMBL1770198 | N,N,N-trimethyl-2-(7-oxo-7H-dibenz...) Show SMILES C[N+](C)(C)CCOc1cnc2-c3ccccc3C(=O)c3cccc1c23 Show InChI InChI=1S/C21H21N2O2/c1-23(2,3)11-12-25-18-13-22-20-14-7-4-5-8-15(14)21(24)17-10-6-9-16(18)19(17)20/h4-10,13H,11-12H2,1-3H3/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	972	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE by Ellman's method				Eur J Med Chem 46: 1572-81 (2011) Article DOI: 10.1016/j.ejmech.2011.02.005 BindingDB Entry DOI: 10.7270/Q2TM7BFW
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50342755 (3-(2-(Diethylamino)ethoxy)-7H-dibenzo[de,h]quinoli...) Show SMILES CCN(CC)CCOc1cnc2-c3ccccc3C(=O)c3cccc1c23 Show InChI InChI=1S/C22H22N2O2/c1-3-24(4-2)12-13-26-19-14-23-21-15-8-5-6-9-16(15)22(25)18-11-7-10-17(19)20(18)21/h5-11,14H,3-4,12-13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.49E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE by Ellman's method				Eur J Med Chem 46: 1572-81 (2011) Article DOI: 10.1016/j.ejmech.2011.02.005 BindingDB Entry DOI: 10.7270/Q2TM7BFW
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50342754 (3-(2-(Dimethylamino)ethoxy)-7H-dibenzo[de,h]quinol...) Show SMILES CN(C)CCOc1cnc2-c3ccccc3C(=O)c3cccc1c23 Show InChI InChI=1S/C20H18N2O2/c1-22(2)10-11-24-17-12-21-19-13-6-3-4-7-14(13)20(23)16-9-5-8-15(17)18(16)19/h3-9,12H,10-11H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Eur J Med Chem 46: 1572-81 (2011) Article DOI: 10.1016/j.ejmech.2011.02.005 BindingDB Entry DOI: 10.7270/Q2TM7BFW
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50342754 (3-(2-(Dimethylamino)ethoxy)-7H-dibenzo[de,h]quinol...) Show SMILES CN(C)CCOc1cnc2-c3ccccc3C(=O)c3cccc1c23 Show InChI InChI=1S/C20H18N2O2/c1-22(2)10-11-24-17-12-21-19-13-6-3-4-7-14(13)20(23)16-9-5-8-15(17)18(16)19/h3-9,12H,10-11H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.64E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE by Ellman's method				Eur J Med Chem 46: 1572-81 (2011) Article DOI: 10.1016/j.ejmech.2011.02.005 BindingDB Entry DOI: 10.7270/Q2TM7BFW
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50342764 (4-(2-(Piperidin-1-yl)ethoxy)-7H-dibenzo[de,h]quino...) Show SMILES O=C1c2ccccc2-c2nccc3c(OCCN4CCCCC4)ccc1c23 Show InChI InChI=1S/C23H22N2O2/c26-23-17-7-3-2-6-16(17)22-21-18(10-11-24-22)20(9-8-19(21)23)27-15-14-25-12-4-1-5-13-25/h2-3,6-11H,1,4-5,12-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE by Ellman's method				Eur J Med Chem 46: 1572-81 (2011) Article DOI: 10.1016/j.ejmech.2011.02.005 BindingDB Entry DOI: 10.7270/Q2TM7BFW
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50342763 (4-(3-(Diethylamino)propoxy)-7H-dibenzo[de,h]quinol...) Show SMILES CCN(CC)CCCOc1ccc2C(=O)c3ccccc3-c3nccc1c23 Show InChI InChI=1S/C23H24N2O2/c1-3-25(4-2)14-7-15-27-20-11-10-19-21-18(20)12-13-24-22(21)16-8-5-6-9-17(16)23(19)26/h5-6,8-13H,3-4,7,14-15H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE by Ellman's method				Eur J Med Chem 46: 1572-81 (2011) Article DOI: 10.1016/j.ejmech.2011.02.005 BindingDB Entry DOI: 10.7270/Q2TM7BFW
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50342766 (4-(2-(4-Methylpiperazin-1-yl)ethoxy)-7H-dibenzo[de...) Show SMILES CN1CCN(CCOc2ccc3C(=O)c4ccccc4-c4nccc2c34)CC1 Show InChI InChI=1S/C23H23N3O2/c1-25-10-12-26(13-11-25)14-15-28-20-7-6-19-21-18(20)8-9-24-22(21)16-4-2-3-5-17(16)23(19)27/h2-9H,10-15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE by Ellman's method				Eur J Med Chem 46: 1572-81 (2011) Article DOI: 10.1016/j.ejmech.2011.02.005 BindingDB Entry DOI: 10.7270/Q2TM7BFW
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50342762 (4-(2-(Diethylamino)ethoxy)-7H-dibenzo[de,h]quinoli...) Show SMILES CCN(CC)CCOc1ccc2C(=O)c3ccccc3-c3nccc1c23 Show InChI InChI=1S/C22H22N2O2/c1-3-24(4-2)13-14-26-19-10-9-18-20-17(19)11-12-23-21(20)15-7-5-6-8-16(15)22(18)25/h5-12H,3-4,13-14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE by Ellman's method				Eur J Med Chem 46: 1572-81 (2011) Article DOI: 10.1016/j.ejmech.2011.02.005 BindingDB Entry DOI: 10.7270/Q2TM7BFW
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50342768 (4-(3-(Dimethylamino)propylamino)-7H-dibenzo[de,h]q...) Show SMILES CN(C)CCCNc1ccc2C(=O)c3ccccc3-c3nccc1c23 Show InChI InChI=1S/C21H21N3O/c1-24(2)13-5-11-22-18-9-8-17-19-16(18)10-12-23-20(19)14-6-3-4-7-15(14)21(17)25/h3-4,6-10,12,22H,5,11,13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE by Ellman's method				Eur J Med Chem 46: 1572-81 (2011) Article DOI: 10.1016/j.ejmech.2011.02.005 BindingDB Entry DOI: 10.7270/Q2TM7BFW
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50342767 (4-(3-(4-Methylpiperazin-1-yl)propoxy)-7H-dibenzo[d...) Show SMILES CN1CCN(CCCOc2ccc3C(=O)c4ccccc4-c4nccc2c34)CC1 Show InChI InChI=1S/C24H25N3O2/c1-26-12-14-27(15-13-26)11-4-16-29-21-8-7-20-22-19(21)9-10-25-23(22)17-5-2-3-6-18(17)24(20)28/h2-3,5-10H,4,11-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE by Ellman's method				Eur J Med Chem 46: 1572-81 (2011) Article DOI: 10.1016/j.ejmech.2011.02.005 BindingDB Entry DOI: 10.7270/Q2TM7BFW
					More data for this Ligand-Target Pair