Compile Data Set for Download or QSAR

Found 56 hits Enz. Inhib. hit(s) with all data for entry = 50046207   

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))	BDBM50099601 (CHEMBL3343930) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using S-butyrylthiocholine chloride as substrate incubated for 6 mins by spectrophotometric method				Bioorg Med Chem 22: 6089-104 (2014) Article DOI: 10.1016/j.bmc.2014.08.035 BindingDB Entry DOI: 10.7270/Q2M61N1Z
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50099603 (CHEMBL3343932) Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using S-butyrylthiocholine chloride as substrate incubated for 6 mins by spectrophotometric method				Bioorg Med Chem 22: 6089-104 (2014) Article DOI: 10.1016/j.bmc.2014.08.035 BindingDB Entry DOI: 10.7270/Q2M61N1Z
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50099597 (CHEMBL3343926) Show SMILES CC(C)(C)OC(=O)N1Cc2[nH]c3ccccc3c2C[C@H]1C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using S-butyrylthiocholine chloride as substrate incubated for 6 mins by spectrophotometric method				Bioorg Med Chem 22: 6089-104 (2014) Article DOI: 10.1016/j.bmc.2014.08.035 BindingDB Entry DOI: 10.7270/Q2M61N1Z
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50099602 (CHEMBL3343931) Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using S-butyrylthiocholine chloride as substrate incubated for 6 mins by spectrophotometric method				Bioorg Med Chem 22: 6089-104 (2014) Article DOI: 10.1016/j.bmc.2014.08.035 BindingDB Entry DOI: 10.7270/Q2M61N1Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50099598 (CHEMBL3343927) Show SMILES O=C(NCCCCCCNc1c2CCCCc2nc2ccccc12)[C@@H]1Cc2c(CN1)[nH]c1ccccc21 |r| Show InChI	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
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 6 mins by spectrophotometric method				Bioorg Med Chem 22: 6089-104 (2014) Article DOI: 10.1016/j.bmc.2014.08.035 BindingDB Entry DOI: 10.7270/Q2M61N1Z
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50099599 (CHEMBL3343928) Show SMILES CC1N([C@@H](Cc2c1[nH]c1ccccc21)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12)C(=O)OC(C)(C)C |r| Show InChI	PDB 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
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using S-butyrylthiocholine chloride as substrate incubated for 6 mins by spectrophotometric method				Bioorg Med Chem 22: 6089-104 (2014) Article DOI: 10.1016/j.bmc.2014.08.035 BindingDB Entry DOI: 10.7270/Q2M61N1Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50099591 (CHEMBL3343922) Show SMILES O=C(NCCCCCCNc1c2CCCCc2nc2ccccc12)c1cc2c(cn1)[nH]c1ccccc21 Show InChI InChI=1S/C31H33N5O/c37-31(28-19-24-21-11-3-6-14-25(21)36-29(24)20-34-28)33-18-10-2-1-9-17-32-30-22-12-4-7-15-26(22)35-27-16-8-5-13-23(27)30/h3-4,6-7,11-12,14-15,19-20,36H,1-2,5,8-10,13,16-18H2,(H,32,35)(H,33,37)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 6 mins by spectrophotometric method				Bioorg Med Chem 22: 6089-104 (2014) Article DOI: 10.1016/j.bmc.2014.08.035 BindingDB Entry DOI: 10.7270/Q2M61N1Z
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50099598 (CHEMBL3343927) Show SMILES O=C(NCCCCCCNc1c2CCCCc2nc2ccccc12)[C@@H]1Cc2c(CN1)[nH]c1ccccc21 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using S-butyrylthiocholine chloride as substrate incubated for 6 mins by spectrophotometric method				Bioorg Med Chem 22: 6089-104 (2014) Article DOI: 10.1016/j.bmc.2014.08.035 BindingDB Entry DOI: 10.7270/Q2M61N1Z
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50099591 (CHEMBL3343922) Show SMILES O=C(NCCCCCCNc1c2CCCCc2nc2ccccc12)c1cc2c(cn1)[nH]c1ccccc21 Show InChI InChI=1S/C31H33N5O/c37-31(28-19-24-21-11-3-6-14-25(21)36-29(24)20-34-28)33-18-10-2-1-9-17-32-30-22-12-4-7-15-26(22)35-27-16-8-5-13-23(27)30/h3-4,6-7,11-12,14-15,19-20,36H,1-2,5,8-10,13,16-18H2,(H,32,35)(H,33,37)	PDB UniProtKB/SwissProt 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
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using S-butyrylthiocholine chloride as substrate incubated for 6 mins by spectrophotometric method				Bioorg Med Chem 22: 6089-104 (2014) Article DOI: 10.1016/j.bmc.2014.08.035 BindingDB Entry DOI: 10.7270/Q2M61N1Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50099570 (CHEMBL3343885) Show SMILES Cc1nc(cc2c3ccccc3[nH]c12)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C32H35N5O/c1-21-30-25(22-12-4-7-15-26(22)37-30)20-29(35-21)32(38)34-19-11-3-2-10-18-33-31-23-13-5-8-16-27(23)36-28-17-9-6-14-24(28)31/h4-5,7-8,12-13,15-16,20,37H,2-3,6,9-11,14,17-19H2,1H3,(H,33,36)(H,34,38)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 6 mins by spectrophotometric method				Bioorg Med Chem 22: 6089-104 (2014) Article DOI: 10.1016/j.bmc.2014.08.035 BindingDB Entry DOI: 10.7270/Q2M61N1Z
					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	51	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using S-butyrylthiocholine chloride as substrate incubated for 6 mins by spectrophotometric method				Bioorg Med Chem 22: 6089-104 (2014) Article DOI: 10.1016/j.bmc.2014.08.035 BindingDB Entry DOI: 10.7270/Q2M61N1Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50099596 (CHEMBL3343882) Show SMILES CCc1nc(cc2c3ccccc3[nH]c12)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C33H37N5O/c1-2-26-32-25(22-13-5-8-16-27(22)38-32)21-30(36-26)33(39)35-20-12-4-3-11-19-34-31-23-14-6-9-17-28(23)37-29-18-10-7-15-24(29)31/h5-6,8-9,13-14,16-17,21,38H,2-4,7,10-12,15,18-20H2,1H3,(H,34,37)(H,35,39)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 6 mins by spectrophotometric method				Bioorg Med Chem 22: 6089-104 (2014) Article DOI: 10.1016/j.bmc.2014.08.035 BindingDB Entry DOI: 10.7270/Q2M61N1Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50099602 (CHEMBL3343931) Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 |r| Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 6 mins by spectrophotometric method				Bioorg Med Chem 22: 6089-104 (2014) Article DOI: 10.1016/j.bmc.2014.08.035 BindingDB Entry DOI: 10.7270/Q2M61N1Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50099598 (CHEMBL3343927) Show SMILES O=C(NCCCCCCNc1c2CCCCc2nc2ccccc12)[C@@H]1Cc2c(CN1)[nH]c1ccccc21 |r| Show InChI	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	63	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 6 mins by spectrophotometric method				Bioorg Med Chem 22: 6089-104 (2014) Article DOI: 10.1016/j.bmc.2014.08.035 BindingDB Entry DOI: 10.7270/Q2M61N1Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50099601 (CHEMBL3343930) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 |r| Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 6 mins by spectrophotometric method				Bioorg Med Chem 22: 6089-104 (2014) Article DOI: 10.1016/j.bmc.2014.08.035 BindingDB Entry DOI: 10.7270/Q2M61N1Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50099591 (CHEMBL3343922) Show SMILES O=C(NCCCCCCNc1c2CCCCc2nc2ccccc12)c1cc2c(cn1)[nH]c1ccccc21 Show InChI InChI=1S/C31H33N5O/c37-31(28-19-24-21-11-3-6-14-25(21)36-29(24)20-34-28)33-18-10-2-1-9-17-32-30-22-12-4-7-15-26(22)35-27-16-8-5-13-23(27)30/h3-4,6-7,11-12,14-15,19-20,36H,1-2,5,8-10,13,16-18H2,(H,32,35)(H,33,37)	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	92	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 6 mins by spectrophotometric method				Bioorg Med Chem 22: 6089-104 (2014) Article DOI: 10.1016/j.bmc.2014.08.035 BindingDB Entry DOI: 10.7270/Q2M61N1Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50099570 (CHEMBL3343885) Show SMILES Cc1nc(cc2c3ccccc3[nH]c12)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C32H35N5O/c1-21-30-25(22-12-4-7-15-26(22)37-30)20-29(35-21)32(38)34-19-11-3-2-10-18-33-31-23-13-5-8-16-27(23)36-28-17-9-6-14-24(28)31/h4-5,7-8,12-13,15-16,20,37H,2-3,6,9-11,14,17-19H2,1H3,(H,33,36)(H,34,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 6 mins by spectrophotometric method				Bioorg Med Chem 22: 6089-104 (2014) Article DOI: 10.1016/j.bmc.2014.08.035 BindingDB Entry DOI: 10.7270/Q2M61N1Z
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50099570 (CHEMBL3343885) Show SMILES Cc1nc(cc2c3ccccc3[nH]c12)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C32H35N5O/c1-21-30-25(22-12-4-7-15-26(22)37-30)20-29(35-21)32(38)34-19-11-3-2-10-18-33-31-23-13-5-8-16-27(23)36-28-17-9-6-14-24(28)31/h4-5,7-8,12-13,15-16,20,37H,2-3,6,9-11,14,17-19H2,1H3,(H,33,36)(H,34,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using S-butyrylthiocholine chloride as substrate incubated for 6 mins by spectrophotometric method				Bioorg Med Chem 22: 6089-104 (2014) Article DOI: 10.1016/j.bmc.2014.08.035 BindingDB Entry DOI: 10.7270/Q2M61N1Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50099602 (CHEMBL3343931) Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 |r| Show InChI	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	96	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 6 mins by spectrophotometric method				Bioorg Med Chem 22: 6089-104 (2014) Article DOI: 10.1016/j.bmc.2014.08.035 BindingDB Entry DOI: 10.7270/Q2M61N1Z
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50099596 (CHEMBL3343882) Show SMILES CCc1nc(cc2c3ccccc3[nH]c12)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C33H37N5O/c1-2-26-32-25(22-13-5-8-16-27(22)38-32)21-30(36-26)33(39)35-20-12-4-3-11-19-34-31-23-14-6-9-17-28(23)37-29-18-10-7-15-24(29)31/h5-6,8-9,13-14,16-17,21,38H,2-4,7,10-12,15,18-20H2,1H3,(H,34,37)(H,35,39)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using S-butyrylthiocholine chloride as substrate incubated for 6 mins by spectrophotometric method				Bioorg Med Chem 22: 6089-104 (2014) Article DOI: 10.1016/j.bmc.2014.08.035 BindingDB Entry DOI: 10.7270/Q2M61N1Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50099569 (CHEMBL3343925) Show SMILES COc1ccc(cc1)-c1nc(cc2c3ccccc3[nH]c12)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C38H39N5O2/c1-45-26-20-18-25(19-21-26)35-37-30(27-12-4-7-15-31(27)42-37)24-34(43-35)38(44)40-23-11-3-2-10-22-39-36-28-13-5-8-16-32(28)41-33-17-9-6-14-29(33)36/h4-5,7-8,12-13,15-16,18-21,24,42H,2-3,6,9-11,14,17,22-23H2,1H3,(H,39,41)(H,40,44)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 6 mins by spectrophotometric method				Bioorg Med Chem 22: 6089-104 (2014) Article DOI: 10.1016/j.bmc.2014.08.035 BindingDB Entry DOI: 10.7270/Q2M61N1Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50099596 (CHEMBL3343882) Show SMILES CCc1nc(cc2c3ccccc3[nH]c12)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C33H37N5O/c1-2-26-32-25(22-13-5-8-16-27(22)38-32)21-30(36-26)33(39)35-20-12-4-3-11-19-34-31-23-14-6-9-17-28(23)37-29-18-10-7-15-24(29)31/h5-6,8-9,13-14,16-17,21,38H,2-4,7,10-12,15,18-20H2,1H3,(H,34,37)(H,35,39)	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	98	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 6 mins by spectrophotometric method				Bioorg Med Chem 22: 6089-104 (2014) Article DOI: 10.1016/j.bmc.2014.08.035 BindingDB Entry DOI: 10.7270/Q2M61N1Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50099590 (CHEMBL3343920) Show SMILES Cc1nc(cc2c3ccccc3[nH]c12)C(=O)NCCCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C34H39N5O/c1-23-32-27(24-14-6-9-17-28(24)39-32)22-31(37-23)34(40)36-21-13-5-3-2-4-12-20-35-33-25-15-7-10-18-29(25)38-30-19-11-8-16-26(30)33/h6-7,9-10,14-15,17-18,22,39H,2-5,8,11-13,16,19-21H2,1H3,(H,35,38)(H,36,40)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	107	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 6 mins by spectrophotometric method				Bioorg Med Chem 22: 6089-104 (2014) Article DOI: 10.1016/j.bmc.2014.08.035 BindingDB Entry DOI: 10.7270/Q2M61N1Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50099603 (CHEMBL3343932) Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 |r| Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	115	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 6 mins by spectrophotometric method				Bioorg Med Chem 22: 6089-104 (2014) Article DOI: 10.1016/j.bmc.2014.08.035 BindingDB Entry DOI: 10.7270/Q2M61N1Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50099601 (CHEMBL3343930) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 |r| Show InChI	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	116	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 6 mins by spectrophotometric method				Bioorg Med Chem 22: 6089-104 (2014) Article DOI: 10.1016/j.bmc.2014.08.035 BindingDB Entry DOI: 10.7270/Q2M61N1Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50099592 (CHEMBL3343923) Show SMILES O=C(NCCCCCCNc1c2CCCCc2nc2ccccc12)c1cc2c3ccccc3[nH]c2c(n1)-c1ccccc1 Show InChI InChI=1S/C37H37N5O/c43-37(33-24-29-26-16-6-9-19-30(26)41-36(29)34(42-33)25-14-4-3-5-15-25)39-23-13-2-1-12-22-38-35-27-17-7-10-20-31(27)40-32-21-11-8-18-28(32)35/h3-7,9-10,14-17,19-20,24,41H,1-2,8,11-13,18,21-23H2,(H,38,40)(H,39,43)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	127	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 6 mins by spectrophotometric method				Bioorg Med Chem 22: 6089-104 (2014) Article DOI: 10.1016/j.bmc.2014.08.035 BindingDB Entry DOI: 10.7270/Q2M61N1Z
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50099592 (CHEMBL3343923) Show SMILES O=C(NCCCCCCNc1c2CCCCc2nc2ccccc12)c1cc2c3ccccc3[nH]c2c(n1)-c1ccccc1 Show InChI InChI=1S/C37H37N5O/c43-37(33-24-29-26-16-6-9-19-30(26)41-36(29)34(42-33)25-14-4-3-5-15-25)39-23-13-2-1-12-22-38-35-27-17-7-10-20-31(27)40-32-21-11-8-18-28(32)35/h3-7,9-10,14-17,19-20,24,41H,1-2,8,11-13,18,21-23H2,(H,38,40)(H,39,43)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	129	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using S-butyrylthiocholine chloride as substrate incubated for 6 mins by spectrophotometric method				Bioorg Med Chem 22: 6089-104 (2014) Article DOI: 10.1016/j.bmc.2014.08.035 BindingDB Entry DOI: 10.7270/Q2M61N1Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50099597 (CHEMBL3343926) Show SMILES CC(C)(C)OC(=O)N1Cc2[nH]c3ccccc3c2C[C@H]1C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 |r| Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	141	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 6 mins by spectrophotometric method				Bioorg Med Chem 22: 6089-104 (2014) Article DOI: 10.1016/j.bmc.2014.08.035 BindingDB Entry DOI: 10.7270/Q2M61N1Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50099569 (CHEMBL3343925) Show SMILES COc1ccc(cc1)-c1nc(cc2c3ccccc3[nH]c12)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C38H39N5O2/c1-45-26-20-18-25(19-21-26)35-37-30(27-12-4-7-15-31(27)42-37)24-34(43-35)38(44)40-23-11-3-2-10-22-39-36-28-13-5-8-16-32(28)41-33-17-9-6-14-29(33)36/h4-5,7-8,12-13,15-16,18-21,24,42H,2-3,6,9-11,14,17,22-23H2,1H3,(H,39,41)(H,40,44)	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	149	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 6 mins by spectrophotometric method				Bioorg Med Chem 22: 6089-104 (2014) Article DOI: 10.1016/j.bmc.2014.08.035 BindingDB Entry DOI: 10.7270/Q2M61N1Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50099603 (CHEMBL3343932) Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 |r| Show InChI	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	153	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 6 mins by spectrophotometric method				Bioorg Med Chem 22: 6089-104 (2014) Article DOI: 10.1016/j.bmc.2014.08.035 BindingDB Entry DOI: 10.7270/Q2M61N1Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50099590 (CHEMBL3343920) Show SMILES Cc1nc(cc2c3ccccc3[nH]c12)C(=O)NCCCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C34H39N5O/c1-23-32-27(24-14-6-9-17-28(24)39-32)22-31(37-23)34(40)36-21-13-5-3-2-4-12-20-35-33-25-15-7-10-18-29(25)38-30-19-11-8-16-26(30)33/h6-7,9-10,14-15,17-18,22,39H,2-5,8,11-13,16,19-21H2,1H3,(H,35,38)(H,36,40)	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	153	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 6 mins by spectrophotometric method				Bioorg Med Chem 22: 6089-104 (2014) Article DOI: 10.1016/j.bmc.2014.08.035 BindingDB Entry DOI: 10.7270/Q2M61N1Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50099600 (CHEMBL3343929) Show SMILES CC1N[C@@H](Cc2c1[nH]c1ccccc21)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 |r| Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	156	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 6 mins by spectrophotometric method				Bioorg Med Chem 22: 6089-104 (2014) Article DOI: 10.1016/j.bmc.2014.08.035 BindingDB Entry DOI: 10.7270/Q2M61N1Z
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50099595 (CHEMBL3343884) Show SMILES Cc1nc(cc2c3ccccc3[nH]c12)C(=O)NCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C30H31N5O/c1-19-28-23(20-10-2-5-13-24(20)35-28)18-27(33-19)30(36)32-17-9-8-16-31-29-21-11-3-6-14-25(21)34-26-15-7-4-12-22(26)29/h2-3,5-6,10-11,13-14,18,35H,4,7-9,12,15-17H2,1H3,(H,31,34)(H,32,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using S-butyrylthiocholine chloride as substrate incubated for 6 mins by spectrophotometric method				Bioorg Med Chem 22: 6089-104 (2014) Article DOI: 10.1016/j.bmc.2014.08.035 BindingDB Entry DOI: 10.7270/Q2M61N1Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50099592 (CHEMBL3343923) Show SMILES O=C(NCCCCCCNc1c2CCCCc2nc2ccccc12)c1cc2c3ccccc3[nH]c2c(n1)-c1ccccc1 Show InChI InChI=1S/C37H37N5O/c43-37(33-24-29-26-16-6-9-19-30(26)41-36(29)34(42-33)25-14-4-3-5-15-25)39-23-13-2-1-12-22-38-35-27-17-7-10-20-31(27)40-32-21-11-8-18-28(32)35/h3-7,9-10,14-17,19-20,24,41H,1-2,8,11-13,18,21-23H2,(H,38,40)(H,39,43)	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	159	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 6 mins by spectrophotometric method				Bioorg Med Chem 22: 6089-104 (2014) Article DOI: 10.1016/j.bmc.2014.08.035 BindingDB Entry DOI: 10.7270/Q2M61N1Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50099597 (CHEMBL3343926) Show SMILES CC(C)(C)OC(=O)N1Cc2[nH]c3ccccc3c2C[C@H]1C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 |r| Show InChI	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	187	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 6 mins by spectrophotometric method				Bioorg Med Chem 22: 6089-104 (2014) Article DOI: 10.1016/j.bmc.2014.08.035 BindingDB Entry DOI: 10.7270/Q2M61N1Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50099600 (CHEMBL3343929) Show SMILES CC1N[C@@H](Cc2c1[nH]c1ccccc21)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 |r| Show InChI	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	203	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 6 mins by spectrophotometric method				Bioorg Med Chem 22: 6089-104 (2014) Article DOI: 10.1016/j.bmc.2014.08.035 BindingDB Entry DOI: 10.7270/Q2M61N1Z
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50099594 (CHEMBL3343924) Show SMILES Fc1ccc(cc1)-c1nc(cc2c3ccccc3[nH]c12)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C37H36FN5O/c38-25-19-17-24(18-20-25)34-36-29(26-11-3-6-14-30(26)42-36)23-33(43-34)37(44)40-22-10-2-1-9-21-39-35-27-12-4-7-15-31(27)41-32-16-8-5-13-28(32)35/h3-4,6-7,11-12,14-15,17-20,23,42H,1-2,5,8-10,13,16,21-22H2,(H,39,41)(H,40,44)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	205	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using S-butyrylthiocholine chloride as substrate incubated for 6 mins by spectrophotometric method				Bioorg Med Chem 22: 6089-104 (2014) Article DOI: 10.1016/j.bmc.2014.08.035 BindingDB Entry DOI: 10.7270/Q2M61N1Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50099594 (CHEMBL3343924) Show SMILES Fc1ccc(cc1)-c1nc(cc2c3ccccc3[nH]c12)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C37H36FN5O/c38-25-19-17-24(18-20-25)34-36-29(26-11-3-6-14-30(26)42-36)23-33(43-34)37(44)40-22-10-2-1-9-21-39-35-27-12-4-7-15-31(27)41-32-16-8-5-13-28(32)35/h3-4,6-7,11-12,14-15,17-20,23,42H,1-2,5,8-10,13,16,21-22H2,(H,39,41)(H,40,44)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 6 mins by spectrophotometric method				Bioorg Med Chem 22: 6089-104 (2014) Article DOI: 10.1016/j.bmc.2014.08.035 BindingDB Entry DOI: 10.7270/Q2M61N1Z
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50099600 (CHEMBL3343929) Show SMILES CC1N[C@@H](Cc2c1[nH]c1ccccc21)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using S-butyrylthiocholine chloride as substrate incubated for 6 mins by spectrophotometric method				Bioorg Med Chem 22: 6089-104 (2014) Article DOI: 10.1016/j.bmc.2014.08.035 BindingDB Entry DOI: 10.7270/Q2M61N1Z
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50099590 (CHEMBL3343920) Show SMILES Cc1nc(cc2c3ccccc3[nH]c12)C(=O)NCCCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C34H39N5O/c1-23-32-27(24-14-6-9-17-28(24)39-32)22-31(37-23)34(40)36-21-13-5-3-2-4-12-20-35-33-25-15-7-10-18-29(25)38-30-19-11-8-16-26(30)33/h6-7,9-10,14-15,17-18,22,39H,2-5,8,11-13,16,19-21H2,1H3,(H,35,38)(H,36,40)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	245	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using S-butyrylthiocholine chloride as substrate incubated for 6 mins by spectrophotometric method				Bioorg Med Chem 22: 6089-104 (2014) Article DOI: 10.1016/j.bmc.2014.08.035 BindingDB Entry DOI: 10.7270/Q2M61N1Z
					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	260	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 6 mins by spectrophotometric method				Bioorg Med Chem 22: 6089-104 (2014) Article DOI: 10.1016/j.bmc.2014.08.035 BindingDB Entry DOI: 10.7270/Q2M61N1Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50099595 (CHEMBL3343884) Show SMILES Cc1nc(cc2c3ccccc3[nH]c12)C(=O)NCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C30H31N5O/c1-19-28-23(20-10-2-5-13-24(20)35-28)18-27(33-19)30(36)32-17-9-8-16-31-29-21-11-3-6-14-25(21)34-26-15-7-4-12-22(26)29/h2-3,5-6,10-11,13-14,18,35H,4,7-9,12,15-17H2,1H3,(H,31,34)(H,32,36)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	268	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 6 mins by spectrophotometric method				Bioorg Med Chem 22: 6089-104 (2014) Article DOI: 10.1016/j.bmc.2014.08.035 BindingDB Entry DOI: 10.7270/Q2M61N1Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50099594 (CHEMBL3343924) Show SMILES Fc1ccc(cc1)-c1nc(cc2c3ccccc3[nH]c12)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C37H36FN5O/c38-25-19-17-24(18-20-25)34-36-29(26-11-3-6-14-30(26)42-36)23-33(43-34)37(44)40-22-10-2-1-9-21-39-35-27-12-4-7-15-31(27)41-32-16-8-5-13-28(32)35/h3-4,6-7,11-12,14-15,17-20,23,42H,1-2,5,8-10,13,16,21-22H2,(H,39,41)(H,40,44)	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	306	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 6 mins by spectrophotometric method				Bioorg Med Chem 22: 6089-104 (2014) Article DOI: 10.1016/j.bmc.2014.08.035 BindingDB Entry DOI: 10.7270/Q2M61N1Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50099595 (CHEMBL3343884) Show SMILES Cc1nc(cc2c3ccccc3[nH]c12)C(=O)NCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C30H31N5O/c1-19-28-23(20-10-2-5-13-24(20)35-28)18-27(33-19)30(36)32-17-9-8-16-31-29-21-11-3-6-14-25(21)34-26-15-7-4-12-22(26)29/h2-3,5-6,10-11,13-14,18,35H,4,7-9,12,15-17H2,1H3,(H,31,34)(H,32,36)	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	325	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 6 mins by spectrophotometric method				Bioorg Med Chem 22: 6089-104 (2014) Article DOI: 10.1016/j.bmc.2014.08.035 BindingDB Entry DOI: 10.7270/Q2M61N1Z
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50099569 (CHEMBL3343925) Show SMILES COc1ccc(cc1)-c1nc(cc2c3ccccc3[nH]c12)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C38H39N5O2/c1-45-26-20-18-25(19-21-26)35-37-30(27-12-4-7-15-31(27)42-37)24-34(43-35)38(44)40-23-11-3-2-10-22-39-36-28-13-5-8-16-32(28)41-33-17-9-6-14-29(33)36/h4-5,7-8,12-13,15-16,18-21,24,42H,2-3,6,9-11,14,17,22-23H2,1H3,(H,39,41)(H,40,44)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	329	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using S-butyrylthiocholine chloride as substrate incubated for 6 mins by spectrophotometric method				Bioorg Med Chem 22: 6089-104 (2014) Article DOI: 10.1016/j.bmc.2014.08.035 BindingDB Entry DOI: 10.7270/Q2M61N1Z
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50099593 (CHEMBL3343921) Show SMILES Cc1nc(cc2c3ccccc3[nH]c12)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C36H43N5O/c1-25-34-29(26-16-8-11-19-30(26)41-34)24-33(39-25)36(42)38-23-15-7-5-3-2-4-6-14-22-37-35-27-17-9-12-20-31(27)40-32-21-13-10-18-28(32)35/h8-9,11-12,16-17,19-20,24,41H,2-7,10,13-15,18,21-23H2,1H3,(H,37,40)(H,38,42)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	364	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using S-butyrylthiocholine chloride as substrate incubated for 6 mins by spectrophotometric method				Bioorg Med Chem 22: 6089-104 (2014) Article DOI: 10.1016/j.bmc.2014.08.035 BindingDB Entry DOI: 10.7270/Q2M61N1Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50099599 (CHEMBL3343928) Show SMILES CC1N([C@@H](Cc2c1[nH]c1ccccc21)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12)C(=O)OC(C)(C)C |r| Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	389	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 6 mins by spectrophotometric method				Bioorg Med Chem 22: 6089-104 (2014) Article DOI: 10.1016/j.bmc.2014.08.035 BindingDB Entry DOI: 10.7270/Q2M61N1Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	467	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 6 mins by spectrophotometric method				Bioorg Med Chem 22: 6089-104 (2014) Article DOI: 10.1016/j.bmc.2014.08.035 BindingDB Entry DOI: 10.7270/Q2M61N1Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50099589 (CHEMBL3343883) Show SMILES Cc1nc(cc2c3ccccc3[nH]c12)C(=O)NCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C28H27N5O/c1-17-26-21(18-8-2-5-11-22(18)33-26)16-25(31-17)28(34)30-15-14-29-27-19-9-3-6-12-23(19)32-24-13-7-4-10-20(24)27/h2-3,5-6,8-9,11-12,16,33H,4,7,10,13-15H2,1H3,(H,29,32)(H,30,34)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	485	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 6 mins by spectrophotometric method				Bioorg Med Chem 22: 6089-104 (2014) Article DOI: 10.1016/j.bmc.2014.08.035 BindingDB Entry DOI: 10.7270/Q2M61N1Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50099599 (CHEMBL3343928) Show SMILES CC1N([C@@H](Cc2c1[nH]c1ccccc21)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12)C(=O)OC(C)(C)C |r| Show InChI	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	526	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 6 mins by spectrophotometric method				Bioorg Med Chem 22: 6089-104 (2014) Article DOI: 10.1016/j.bmc.2014.08.035 BindingDB Entry DOI: 10.7270/Q2M61N1Z
					More data for this Ligand-Target Pair

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