Compile Data Set for Download or QSAR

Found 36 hits Enz. Inhib. hit(s) with all data for entry = 50030270   

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 (Electrophorus electricus (Electric eel))	BDBM50293451 (1-Methyl-1-[2-(7-oxo-7H-1-aza-benzo[de]anthracen-9...) Show SMILES C[N+]1(CCC(=O)Nc2ccc-3c(c2)C(=O)c2cccc4ccnc-3c24)CCCCC1 Show InChI InChI=1S/C25H25N3O2/c1-28(13-3-2-4-14-28)15-11-22(29)27-18-8-9-19-21(16-18)25(30)20-7-5-6-17-10-12-26-24(19)23(17)20/h5-10,12,16H,2-4,11,13-15H2,1H3/p+1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.310	n/a	n/a	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 LB plot				Eur J Med Chem 44: 2523-32 (2009) Article DOI: 10.1016/j.ejmech.2009.01.021 BindingDB Entry DOI: 10.7270/Q2Z89CFV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50293452 (1-methyl-1-(3-(7-oxo-7H-dibenzo[de,g]quinoline-4-c...) Show SMILES C[N+]1(CCCNC(=O)c2cnc3C(=O)c4ccccc4-c4cccc2c34)CCCCC1 Show InChI InChI=1S/C26H27N3O2/c1-29(14-5-2-6-15-29)16-8-13-27-26(31)22-17-28-24-23-19(11-7-12-20(22)23)18-9-3-4-10-21(18)25(24)30/h3-4,7,9-12,17H,2,5-6,8,13-16H2,1H3/p+1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	n/a	n/a	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 LB plot				Eur J Med Chem 44: 2523-32 (2009) Article DOI: 10.1016/j.ejmech.2009.01.021 BindingDB Entry DOI: 10.7270/Q2Z89CFV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50211247 (9-Amino-1-azabenzanthrone | 9-amino-1-aza-benzo[de...) Show SMILES Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13 Show InChI InChI=1S/C16H10N2O/c17-10-4-5-11-13(8-10)16(19)12-3-1-2-9-6-7-18-15(11)14(9)12/h1-8H,17H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.86E+3	n/a	n/a	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 LB plot				Eur J Med Chem 44: 2523-32 (2009) Article DOI: 10.1016/j.ejmech.2009.01.021 BindingDB Entry DOI: 10.7270/Q2Z89CFV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50293443 (7-Oxo-7H-dibenzo[de,g]quinoline | CHEMBL559502) Show SMILES O=C1c2ccccc2-c2cccc3ccnc1c23 Show InChI InChI=1S/C16H9NO/c18-16-13-6-2-1-5-11(13)12-7-3-4-10-8-9-17-15(16)14(10)12/h1-9H	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.46E+4	n/a	n/a	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 LB plot				Eur J Med Chem 44: 2523-32 (2009) Article DOI: 10.1016/j.ejmech.2009.01.021 BindingDB Entry DOI: 10.7270/Q2Z89CFV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50293451 (1-Methyl-1-[2-(7-oxo-7H-1-aza-benzo[de]anthracen-9...) Show SMILES C[N+]1(CCC(=O)Nc2ccc-3c(c2)C(=O)c2cccc4ccnc-3c24)CCCCC1 Show InChI InChI=1S/C25H25N3O2/c1-28(13-3-2-4-14-28)15-11-22(29)27-18-8-9-19-21(16-18)25(30)20-7-5-6-17-10-12-26-24(19)23(17)20/h5-10,12,16H,2-4,11,13-15H2,1H3/p+1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.480	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 44: 2523-32 (2009) Article DOI: 10.1016/j.ejmech.2009.01.021 BindingDB Entry DOI: 10.7270/Q2Z89CFV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50293446 (CHEMBL556249 | Diethyl-methyl-[2-(7-oxo-7H-1-aza-b...) Show SMILES CC[N+](C)(CC)CCC(=O)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13 Show InChI InChI=1S/C24H25N3O2/c1-4-27(3,5-2)14-12-21(28)26-17-9-10-18-20(15-17)24(29)19-8-6-7-16-11-13-25-23(18)22(16)19/h6-11,13,15H,4-5,12,14H2,1-3H3/p+1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.62	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 44: 2523-32 (2009) Article DOI: 10.1016/j.ejmech.2009.01.021 BindingDB Entry DOI: 10.7270/Q2Z89CFV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50211244 (CHEMBL395926 | Trimethyl-[2-(7-oxo-7H-1-aza-benzo[...) Show SMILES C[N+](C)(C)CCC(=O)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13 Show InChI InChI=1S/C22H21N3O2/c1-25(2,3)12-10-19(26)24-15-7-8-16-18(13-15)22(27)17-6-4-5-14-9-11-23-21(16)20(14)17/h4-9,11,13H,10,12H2,1-3H3/p+1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.81	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 44: 2523-32 (2009) Article DOI: 10.1016/j.ejmech.2009.01.021 BindingDB Entry DOI: 10.7270/Q2Z89CFV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50293452 (1-methyl-1-(3-(7-oxo-7H-dibenzo[de,g]quinoline-4-c...) Show SMILES C[N+]1(CCCNC(=O)c2cnc3C(=O)c4ccccc4-c4cccc2c34)CCCCC1 Show InChI InChI=1S/C26H27N3O2/c1-29(14-5-2-6-15-29)16-8-13-27-26(31)22-17-28-24-23-19(11-7-12-20(22)23)18-9-3-4-10-21(18)25(24)30/h3-4,7,9-12,17H,2,5-6,8,13-16H2,1H3/p+1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	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 44: 2523-32 (2009) Article DOI: 10.1016/j.ejmech.2009.01.021 BindingDB Entry DOI: 10.7270/Q2Z89CFV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50293440 (1-methyl-1-(2-(7-oxo-7H-dibenzo[de,g]quinoline-4-c...) Show SMILES C[N+]1(CCNC(=O)c2cnc3C(=O)c4ccccc4-c4cccc2c34)CCCCC1 Show InChI InChI=1S/C25H25N3O2/c1-28(13-5-2-6-14-28)15-12-26-25(30)21-16-27-23-22-18(10-7-11-19(21)22)17-8-3-4-9-20(17)24(23)29/h3-4,7-11,16H,2,5-6,12-15H2,1H3/p+1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	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 44: 2523-32 (2009) Article DOI: 10.1016/j.ejmech.2009.01.021 BindingDB Entry DOI: 10.7270/Q2Z89CFV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM10404 ((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...) Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12| Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	550	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 44: 2523-32 (2009) Article DOI: 10.1016/j.ejmech.2009.01.021 BindingDB Entry DOI: 10.7270/Q2Z89CFV
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50293451 (1-Methyl-1-[2-(7-oxo-7H-1-aza-benzo[de]anthracen-9...) Show SMILES C[N+]1(CCC(=O)Nc2ccc-3c(c2)C(=O)c2cccc4ccnc-3c24)CCCCC1 Show InChI InChI=1S/C25H25N3O2/c1-28(13-3-2-4-14-28)15-11-22(29)27-18-8-9-19-21(16-18)25(30)20-7-5-6-17-10-12-26-24(19)23(17)20/h5-10,12,16H,2-4,11,13-15H2,1H3/p+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	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 BuChE by Ellman's method				Eur J Med Chem 44: 2523-32 (2009) Article DOI: 10.1016/j.ejmech.2009.01.021 BindingDB Entry DOI: 10.7270/Q2Z89CFV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50293447 (CHEMBL549935 | N,N-diethyl-N-methyl-3-(7-oxo-7H-di...) Show SMILES CC[N+](C)(CC)CCCNC(=O)c1cnc2C(=O)c3ccccc3-c3cccc1c23 Show InChI InChI=1S/C25H27N3O2/c1-4-28(3,5-2)15-9-14-26-25(30)21-16-27-23-22-18(12-8-13-19(21)22)17-10-6-7-11-20(17)24(23)29/h6-8,10-13,16H,4-5,9,14-15H2,1-3H3/p+1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	650	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 44: 2523-32 (2009) Article DOI: 10.1016/j.ejmech.2009.01.021 BindingDB Entry DOI: 10.7270/Q2Z89CFV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50293441 (4-methyl-4-(3-(7-oxo-7H-dibenzo[de,g]quinoline-4-c...) Show SMILES C[N+]1(CCCNC(=O)c2cnc3C(=O)c4ccccc4-c4cccc2c34)CCOCC1 Show InChI InChI=1S/C25H25N3O3/c1-28(12-14-31-15-13-28)11-5-10-26-25(30)21-16-27-23-22-18(8-4-9-19(21)22)17-6-2-3-7-20(17)24(23)29/h2-4,6-9,16H,5,10-15H2,1H3/p+1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.05E+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 44: 2523-32 (2009) Article DOI: 10.1016/j.ejmech.2009.01.021 BindingDB Entry DOI: 10.7270/Q2Z89CFV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50293442 (4-methyl-4-(2-(7-oxo-7H-dibenzo[de,g]quinoline-4-c...) Show SMILES C[N+]1(CCNC(=O)c2cnc3C(=O)c4ccccc4-c4cccc2c34)CCOCC1 Show InChI InChI=1S/C24H23N3O3/c1-27(11-13-30-14-12-27)10-9-25-24(29)20-15-26-22-21-17(7-4-8-18(20)21)16-5-2-3-6-19(16)23(22)28/h2-8,15H,9-14H2,1H3/p+1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.24E+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 44: 2523-32 (2009) Article DOI: 10.1016/j.ejmech.2009.01.021 BindingDB Entry DOI: 10.7270/Q2Z89CFV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50293448 (CHEMBL550076 | N,N-diethyl-N-methyl-2-(7-oxo-7H-di...) Show SMILES CC[N+](C)(CC)CCNC(=O)c1cnc2C(=O)c3ccccc3-c3cccc1c23 Show InChI InChI=1S/C24H25N3O2/c1-4-27(3,5-2)14-13-25-24(29)20-15-26-22-21-17(11-8-12-18(20)21)16-9-6-7-10-19(16)23(22)28/h6-12,15H,4-5,13-14H2,1-3H3/p+1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.71E+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 44: 2523-32 (2009) Article DOI: 10.1016/j.ejmech.2009.01.021 BindingDB Entry DOI: 10.7270/Q2Z89CFV
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50293449 (CHEMBL559266 | N,N,N-trimethyl-3-(7-oxo-7H-dibenzo...) Show SMILES C[N+](C)(C)CCCNC(=O)c1cnc2C(=O)c3ccccc3-c3cccc1c23 Show InChI InChI=1S/C23H23N3O2/c1-26(2,3)13-7-12-24-23(28)19-14-25-21-20-16(10-6-11-17(19)20)15-8-4-5-9-18(15)22(21)27/h4-6,8-11,14H,7,12-13H2,1-3H3/p+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.71E+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 BuChE by Ellman's method				Eur J Med Chem 44: 2523-32 (2009) Article DOI: 10.1016/j.ejmech.2009.01.021 BindingDB Entry DOI: 10.7270/Q2Z89CFV
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50211244 (CHEMBL395926 | Trimethyl-[2-(7-oxo-7H-1-aza-benzo[...) Show SMILES C[N+](C)(C)CCC(=O)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13 Show InChI InChI=1S/C22H21N3O2/c1-25(2,3)12-10-19(26)24-15-7-8-16-18(13-15)22(27)17-6-4-5-14-9-11-23-21(16)20(14)17/h4-9,11,13H,10,12H2,1-3H3/p+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.82E+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 BuChE by Ellman's method				Eur J Med Chem 44: 2523-32 (2009) Article DOI: 10.1016/j.ejmech.2009.01.021 BindingDB Entry DOI: 10.7270/Q2Z89CFV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50293449 (CHEMBL559266 | N,N,N-trimethyl-3-(7-oxo-7H-dibenzo...) Show SMILES C[N+](C)(C)CCCNC(=O)c1cnc2C(=O)c3ccccc3-c3cccc1c23 Show InChI InChI=1S/C23H23N3O2/c1-26(2,3)13-7-12-24-23(28)19-14-25-21-20-16(10-6-11-17(19)20)15-8-4-5-9-18(15)22(21)27/h4-6,8-11,14H,7,12-13H2,1-3H3/p+1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.16E+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 44: 2523-32 (2009) Article DOI: 10.1016/j.ejmech.2009.01.021 BindingDB Entry DOI: 10.7270/Q2Z89CFV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50293450 (CHEMBL551226 | N,N,N-trimethyl-2-(7-oxo-7H-dibenzo...) Show SMILES C[N+](C)(C)CCNC(=O)c1cnc2C(=O)c3ccccc3-c3cccc1c23 Show InChI InChI=1S/C22H21N3O2/c1-25(2,3)12-11-23-22(27)18-13-24-20-19-15(9-6-10-16(18)19)14-7-4-5-8-17(14)21(20)26/h4-10,13H,11-12H2,1-3H3/p+1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.32E+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 44: 2523-32 (2009) Article DOI: 10.1016/j.ejmech.2009.01.021 BindingDB Entry DOI: 10.7270/Q2Z89CFV
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50293443 (7-Oxo-7H-dibenzo[de,g]quinoline | CHEMBL559502) Show SMILES O=C1c2ccccc2-c2cccc3ccnc1c23 Show InChI InChI=1S/C16H9NO/c18-16-13-6-2-1-5-11(13)12-7-3-4-10-8-9-17-15(16)14(10)12/h1-9H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.01E+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 BuChE by Ellman's method				Eur J Med Chem 44: 2523-32 (2009) Article DOI: 10.1016/j.ejmech.2009.01.021 BindingDB Entry DOI: 10.7270/Q2Z89CFV
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50293441 (4-methyl-4-(3-(7-oxo-7H-dibenzo[de,g]quinoline-4-c...) Show SMILES C[N+]1(CCCNC(=O)c2cnc3C(=O)c4ccccc4-c4cccc2c34)CCOCC1 Show InChI InChI=1S/C25H25N3O3/c1-28(12-14-31-15-13-28)11-5-10-26-25(30)21-16-27-23-22-18(8-4-9-19(21)22)17-6-2-3-7-20(17)24(23)29/h2-4,6-9,16H,5,10-15H2,1H3/p+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.75E+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 BuChE by Ellman's method				Eur J Med Chem 44: 2523-32 (2009) Article DOI: 10.1016/j.ejmech.2009.01.021 BindingDB Entry DOI: 10.7270/Q2Z89CFV
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50293450 (CHEMBL551226 | N,N,N-trimethyl-2-(7-oxo-7H-dibenzo...) Show SMILES C[N+](C)(C)CCNC(=O)c1cnc2C(=O)c3ccccc3-c3cccc1c23 Show InChI InChI=1S/C22H21N3O2/c1-25(2,3)12-11-23-22(27)18-13-24-20-19-15(9-6-10-16(18)19)14-7-4-5-8-17(14)21(20)26/h4-10,13H,11-12H2,1-3H3/p+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.03E+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 BuChE by Ellman's method				Eur J Med Chem 44: 2523-32 (2009) Article DOI: 10.1016/j.ejmech.2009.01.021 BindingDB Entry DOI: 10.7270/Q2Z89CFV
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50293446 (CHEMBL556249 | Diethyl-methyl-[2-(7-oxo-7H-1-aza-b...) Show SMILES CC[N+](C)(CC)CCC(=O)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13 Show InChI InChI=1S/C24H25N3O2/c1-4-27(3,5-2)14-12-21(28)26-17-9-10-18-20(15-17)24(29)19-8-6-7-16-11-13-25-23(18)22(16)19/h6-11,13,15H,4-5,12,14H2,1-3H3/p+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.19E+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 BuChE by Ellman's method				Eur J Med Chem 44: 2523-32 (2009) Article DOI: 10.1016/j.ejmech.2009.01.021 BindingDB Entry DOI: 10.7270/Q2Z89CFV
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50293452 (1-methyl-1-(3-(7-oxo-7H-dibenzo[de,g]quinoline-4-c...) Show SMILES C[N+]1(CCCNC(=O)c2cnc3C(=O)c4ccccc4-c4cccc2c34)CCCCC1 Show InChI InChI=1S/C26H27N3O2/c1-29(14-5-2-6-15-29)16-8-13-27-26(31)22-17-28-24-23-19(11-7-12-20(22)23)18-9-3-4-10-21(18)25(24)30/h3-4,7,9-12,17H,2,5-6,8,13-16H2,1H3/p+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.24E+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 BuChE by Ellman's method				Eur J Med Chem 44: 2523-32 (2009) Article DOI: 10.1016/j.ejmech.2009.01.021 BindingDB Entry DOI: 10.7270/Q2Z89CFV
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50293440 (1-methyl-1-(2-(7-oxo-7H-dibenzo[de,g]quinoline-4-c...) Show SMILES C[N+]1(CCNC(=O)c2cnc3C(=O)c4ccccc4-c4cccc2c34)CCCCC1 Show InChI InChI=1S/C25H25N3O2/c1-28(13-5-2-6-14-28)15-12-26-25(30)21-16-27-23-22-18(10-7-11-19(21)22)17-8-3-4-9-20(17)24(23)29/h3-4,7-11,16H,2,5-6,12-15H2,1H3/p+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.76E+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 BuChE by Ellman's method				Eur J Med Chem 44: 2523-32 (2009) Article DOI: 10.1016/j.ejmech.2009.01.021 BindingDB Entry DOI: 10.7270/Q2Z89CFV
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50293448 (CHEMBL550076 | N,N-diethyl-N-methyl-2-(7-oxo-7H-di...) Show SMILES CC[N+](C)(CC)CCNC(=O)c1cnc2C(=O)c3ccccc3-c3cccc1c23 Show InChI InChI=1S/C24H25N3O2/c1-4-27(3,5-2)14-13-25-24(29)20-15-26-22-21-17(11-8-12-18(20)21)16-9-6-7-10-19(16)23(22)28/h6-12,15H,4-5,13-14H2,1-3H3/p+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.14E+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 BuChE by Ellman's method				Eur J Med Chem 44: 2523-32 (2009) Article DOI: 10.1016/j.ejmech.2009.01.021 BindingDB Entry DOI: 10.7270/Q2Z89CFV
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50293447 (CHEMBL549935 | N,N-diethyl-N-methyl-3-(7-oxo-7H-di...) Show SMILES CC[N+](C)(CC)CCCNC(=O)c1cnc2C(=O)c3ccccc3-c3cccc1c23 Show InChI InChI=1S/C25H27N3O2/c1-4-28(3,5-2)15-9-14-26-25(30)21-16-27-23-22-18(12-8-13-19(21)22)17-10-6-7-11-20(17)24(23)29/h6-8,10-13,16H,4-5,9,14-15H2,1-3H3/p+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.72E+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 BuChE by Ellman's method				Eur J Med Chem 44: 2523-32 (2009) Article DOI: 10.1016/j.ejmech.2009.01.021 BindingDB Entry DOI: 10.7270/Q2Z89CFV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50293443 (7-Oxo-7H-dibenzo[de,g]quinoline | CHEMBL559502) Show SMILES O=C1c2ccccc2-c2cccc3ccnc1c23 Show InChI InChI=1S/C16H9NO/c18-16-13-6-2-1-5-11(13)12-7-3-4-10-8-9-17-15(16)14(10)12/h1-9H	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.06E+4	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 44: 2523-32 (2009) Article DOI: 10.1016/j.ejmech.2009.01.021 BindingDB Entry DOI: 10.7270/Q2Z89CFV
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50293442 (4-methyl-4-(2-(7-oxo-7H-dibenzo[de,g]quinoline-4-c...) Show SMILES C[N+]1(CCNC(=O)c2cnc3C(=O)c4ccccc4-c4cccc2c34)CCOCC1 Show InChI InChI=1S/C24H23N3O3/c1-27(11-13-30-14-12-27)10-9-25-24(29)20-15-26-22-21-17(7-4-8-18(20)21)16-5-2-3-6-19(16)23(22)28/h2-8,15H,9-14H2,1H3/p+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.17E+4	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 BuChE by Ellman's method				Eur J Med Chem 44: 2523-32 (2009) Article DOI: 10.1016/j.ejmech.2009.01.021 BindingDB Entry DOI: 10.7270/Q2Z89CFV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50293444 (CHEMBL549936 | N-(3-hydroxypropyl)-7-oxo-7H-benzo[...) Show SMILES OCCCNC(=O)c1cnc2C(=O)c3ccccc3-c3cccc1c23 Show InChI InChI=1S/C20H16N2O3/c23-10-4-9-21-20(25)16-11-22-18-17-13(7-3-8-14(16)17)12-5-1-2-6-15(12)19(18)24/h1-3,5-8,11,23H,4,9-10H2,(H,21,25)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.22E+4	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 44: 2523-32 (2009) Article DOI: 10.1016/j.ejmech.2009.01.021 BindingDB Entry DOI: 10.7270/Q2Z89CFV
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM10404 ((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...) Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12| Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.44E+4	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 BuChE by Ellman's method				Eur J Med Chem 44: 2523-32 (2009) Article DOI: 10.1016/j.ejmech.2009.01.021 BindingDB Entry DOI: 10.7270/Q2Z89CFV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50293445 (CHEMBL551430 | N-(2-hydroxyethyl)-7-oxo-7H-benzo[d...) Show SMILES OCCNC(=O)c1cnc2C(=O)c3ccccc3-c3cccc1c23 Show InChI InChI=1S/C19H14N2O3/c22-9-8-20-19(24)15-10-21-17-16-12(6-3-7-13(15)16)11-4-1-2-5-14(11)18(17)23/h1-7,10,22H,8-9H2,(H,20,24)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+4	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 44: 2523-32 (2009) Article DOI: 10.1016/j.ejmech.2009.01.021 BindingDB Entry DOI: 10.7270/Q2Z89CFV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50211247 (9-Amino-1-azabenzanthrone | 9-amino-1-aza-benzo[de...) Show SMILES Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13 Show InChI InChI=1S/C16H10N2O/c17-10-4-5-11-13(8-10)16(19)12-3-1-2-9-6-7-18-15(11)14(9)12/h1-8H,17H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.69E+4	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 44: 2523-32 (2009) Article DOI: 10.1016/j.ejmech.2009.01.021 BindingDB Entry DOI: 10.7270/Q2Z89CFV
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50293444 (CHEMBL549936 | N-(3-hydroxypropyl)-7-oxo-7H-benzo[...) Show SMILES OCCCNC(=O)c1cnc2C(=O)c3ccccc3-c3cccc1c23 Show InChI InChI=1S/C20H16N2O3/c23-10-4-9-21-20(25)16-11-22-18-17-13(7-3-8-14(16)17)12-5-1-2-6-15(12)19(18)24/h1-3,5-8,11,23H,4,9-10H2,(H,21,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.33E+4	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 BuChE by Ellman's method				Eur J Med Chem 44: 2523-32 (2009) Article DOI: 10.1016/j.ejmech.2009.01.021 BindingDB Entry DOI: 10.7270/Q2Z89CFV
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50293445 (CHEMBL551430 | N-(2-hydroxyethyl)-7-oxo-7H-benzo[d...) Show SMILES OCCNC(=O)c1cnc2C(=O)c3ccccc3-c3cccc1c23 Show InChI InChI=1S/C19H14N2O3/c22-9-8-20-19(24)15-10-21-17-16-12(6-3-7-13(15)16)11-4-1-2-5-14(11)18(17)23/h1-7,10,22H,8-9H2,(H,20,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.87E+4	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 BuChE by Ellman's method				Eur J Med Chem 44: 2523-32 (2009) Article DOI: 10.1016/j.ejmech.2009.01.021 BindingDB Entry DOI: 10.7270/Q2Z89CFV
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50211247 (9-Amino-1-azabenzanthrone | 9-amino-1-aza-benzo[de...) Show SMILES Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13 Show InChI InChI=1S/C16H10N2O/c17-10-4-5-11-13(8-10)16(19)12-3-1-2-9-6-7-18-15(11)14(9)12/h1-8H,17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	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 BuChE by Ellman's method				Eur J Med Chem 44: 2523-32 (2009) Article DOI: 10.1016/j.ejmech.2009.01.021 BindingDB Entry DOI: 10.7270/Q2Z89CFV
					More data for this Ligand-Target Pair