Compile Data Set for Download or QSAR

Found 32 hits Enz. Inhib. hit(s) with all data for entry = 50000301   

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 (Rattus norvegicus (rat))	BDBM8963 (CHEMBL32823 | Homodimeric Tacrine Analog 3b | N-[7...) Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C33H40N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,36)(H,35,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate measured after 8 mins in presence of BuChE inhibitor ethopropazine by Ellma...				Eur J Med Chem 132: 294-309 (2017) Article DOI: 10.1016/j.ejmech.2017.03.062 BindingDB Entry DOI: 10.7270/Q2HX1G33
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50245716 (CHEMBL4084610) Show SMILES CC(=O)N(CCCNc1c2CCCCc2nc2ccccc12)CCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C33H39N5O/c1-23(39)38(22-20-35-33-26-13-4-8-17-30(26)37-31-18-9-5-14-27(31)33)21-10-19-34-32-24-11-2-6-15-28(24)36-29-16-7-3-12-25(29)32/h2,4,6,8,11,13,15,17H,3,5,7,9-10,12,14,16,18-22H2,1H3,(H,34,36)(H,35,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	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 butyrylthiocholine iodide as substrate				Eur J Med Chem 132: 294-309 (2017) Article DOI: 10.1016/j.ejmech.2017.03.062 BindingDB Entry DOI: 10.7270/Q2HX1G33
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50433322 (CHEMBL2376473) Show SMILES CC(C(=O)NCCCCCCCCNc1c2CCCCc2nc2ccccc12)c1ccc(c(F)c1)-c1ccccc1 Show InChI InChI=1S/C36H42FN3O/c1-26(28-21-22-29(32(37)25-28)27-15-7-6-8-16-27)36(41)39-24-14-5-3-2-4-13-23-38-35-30-17-9-11-19-33(30)40-34-20-12-10-18-31(34)35/h6-9,11,15-17,19,21-22,25-26H,2-5,10,12-14,18,20,23-24H2,1H3,(H,38,40)(H,39,41)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10	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 butyrylthiocholine iodide as substrate pretreated for 5 mins followed by substrate addition after 2 mins by DTN...				Eur J Med Chem 132: 294-309 (2017) Article DOI: 10.1016/j.ejmech.2017.03.062 BindingDB Entry DOI: 10.7270/Q2HX1G33
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50235800 (Bambuterol | CHEBI:553827) Show SMILES CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC(C)(C)C Show InChI InChI=1S/C18H29N3O5/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7/h8-10,15,19,22H,11H2,1-7H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BuChE (unknown origin)				Eur J Med Chem 132: 294-309 (2017) Article DOI: 10.1016/j.ejmech.2017.03.062 BindingDB Entry DOI: 10.7270/Q2HX1G33
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50245728 (CHEMBL4063881) Show SMILES Oc1cccc2C(=O)c3cc(cc(O)c3C(=O)c12)C(=O)NCCCCCCNc1c2CCCCCc2nc2ccccc12 Show InChI InChI=1S/C35H35N3O5/c39-28-16-10-13-24-30(28)34(42)31-25(33(24)41)19-21(20-29(31)40)35(43)37-18-9-2-1-8-17-36-32-22-11-4-3-5-14-26(22)38-27-15-7-6-12-23(27)32/h6-7,10,12-13,15-16,19-20,39-40H,1-5,8-9,11,14,17-18H2,(H,36,38)(H,37,43)	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 BuChE using s-butyrylthiocholine iodide as substrate pretreated for 6 mins followed by substrate addition measured at 60 s...				Eur J Med Chem 132: 294-309 (2017) Article DOI: 10.1016/j.ejmech.2017.03.062 BindingDB Entry DOI: 10.7270/Q2HX1G33
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50245718 (CHEMBL4095755) Show SMILES [H][C@]12C(C)CC[C@@]1(C)c1cc(OC(=O)Nc3ccccc3)ccc1C2C |r| Show InChI InChI=1S/C22H25NO2/c1-14-11-12-22(3)19-13-17(9-10-18(19)15(2)20(14)22)25-21(24)23-16-7-5-4-6-8-16/h4-10,13-15,20H,11-12H2,1-3H3,(H,23,24)/t14?,15?,20-,22+/m1/s1	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	22	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human plasma AChE using acetyl-(beta-methyl)thiocholine as substrate pretreated for 30 mins followed by substrate addition after 25 min...				Eur J Med Chem 132: 294-309 (2017) Article DOI: 10.1016/j.ejmech.2017.03.062 BindingDB Entry DOI: 10.7270/Q2HX1G33
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM8970 (CHEMBL51197 | N-[7-(1,2,3,4-tetrahydroacridin-9-yl...) Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCCSc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C33H39N3S/c1(2-12-22-34-32-24-14-4-8-18-28(24)35-29-19-9-5-15-25(29)32)3-13-23-37-33-26-16-6-10-20-30(26)36-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	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 butyrylthiocholine iodide as substrate				Eur J Med Chem 132: 294-309 (2017) Article DOI: 10.1016/j.ejmech.2017.03.062 BindingDB Entry DOI: 10.7270/Q2HX1G33
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50433322 (CHEMBL2376473) Show SMILES CC(C(=O)NCCCCCCCCNc1c2CCCCc2nc2ccccc12)c1ccc(c(F)c1)-c1ccccc1 Show InChI InChI=1S/C36H42FN3O/c1-26(28-21-22-29(32(37)25-28)27-15-7-6-8-16-27)36(41)39-24-14-5-3-2-4-13-23-38-35-30-17-9-11-19-33(30)40-34-20-12-10-18-31(34)35/h6-9,11,15-17,19,21-22,25-26H,2-5,10,12-14,18,20,23-24H2,1H3,(H,38,40)(H,39,41)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	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 pretreated for 5 mins followed by substrate addition after 2 mins by DTNB...				Eur J Med Chem 132: 294-309 (2017) Article DOI: 10.1016/j.ejmech.2017.03.062 BindingDB Entry DOI: 10.7270/Q2HX1G33
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50245717 (CHEMBL4068410) Show SMILES [H][C@]12C(C)CC[C@@]1(C)c1cc(OC(=O)Nc3ccc(cc3)C(C)C)ccc1C2C |r| Show InChI InChI=1S/C25H31NO2/c1-15(2)18-6-8-19(9-7-18)26-24(27)28-20-10-11-21-17(4)23-16(3)12-13-25(23,5)22(21)14-20/h6-11,14-17,23H,12-13H2,1-5H3,(H,26,27)/t16?,17?,23-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human RBC BuChE using s-butyrylthiocholine as substrate pretreated for 30 mins followed by substrate addition after 25 mins by spectrop...				Eur J Med Chem 132: 294-309 (2017) Article DOI: 10.1016/j.ejmech.2017.03.062 BindingDB Entry DOI: 10.7270/Q2HX1G33
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50245727 (CHEMBL4063321) Show SMILES COc1ccc(Cn2cc(CNc3c4CCCCc4nc4ccccc34)nn2)cc1 Show InChI InChI=1S/C24H25N5O/c1-30-19-12-10-17(11-13-19)15-29-16-18(27-28-29)14-25-24-20-6-2-4-8-22(20)26-23-9-5-3-7-21(23)24/h2,4,6,8,10-13,16H,3,5,7,9,14-15H2,1H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human BuChE				Eur J Med Chem 132: 294-309 (2017) Article DOI: 10.1016/j.ejmech.2017.03.062 BindingDB Entry DOI: 10.7270/Q2HX1G33
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM199199 (N-(Pyridin-2-ylmethyl)-1,2,3,4-tetrahydroacridin-9...) Show SMILES C(Nc1c2CCCCc2nc2ccccc12)c1ccccn1 Show InChI InChI=1S/C19H19N3/c1-3-10-17-15(8-1)19(16-9-2-4-11-18(16)22-17)21-13-14-7-5-6-12-20-14/h1,3,5-8,10,12H,2,4,9,11,13H2,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate pretreated for 5 mins followed by substrate addition measured at 1 min i...				Eur J Med Chem 132: 294-309 (2017) Article DOI: 10.1016/j.ejmech.2017.03.062 BindingDB Entry DOI: 10.7270/Q2HX1G33
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50245728 (CHEMBL4063881) Show SMILES Oc1cccc2C(=O)c3cc(cc(O)c3C(=O)c12)C(=O)NCCCCCCNc1c2CCCCCc2nc2ccccc12 Show InChI InChI=1S/C35H35N3O5/c39-28-16-10-13-24-30(28)34(42)31-25(33(24)41)19-21(20-29(31)40)35(43)37-18-9-2-1-8-17-36-32-22-11-4-3-5-14-26(22)38-27-15-7-6-12-23(27)32/h6-7,10,12-13,15-16,19-20,39-40H,1-5,8-9,11,14,17-18H2,(H,36,38)(H,37,43)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	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 pretreated for 6 mins followed by substrate measured at 60 secs interval ...				Eur J Med Chem 132: 294-309 (2017) Article DOI: 10.1016/j.ejmech.2017.03.062 BindingDB Entry DOI: 10.7270/Q2HX1G33
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50245715 (CHEMBL4072478) Show SMILES COc1ccc2nc3CCCCc3c(NCCCCCCCNC(=S)NC34CC5CC(CC(C5)C3)C4)c2c1 |TLB:29:30:27.28.33:34,THB:29:28:34:35.30.31,31:30:27:33.32.34,31:32:27:35.29.30| Show InChI InChI=1S/C32H46N4OS/c1-37-25-11-12-29-27(18-25)30(26-9-5-6-10-28(26)35-29)33-13-7-3-2-4-8-14-34-31(38)36-32-19-22-15-23(20-32)17-24(16-22)21-32/h11-12,18,22-24H,2-10,13-17,19-21H2,1H3,(H,33,35)(H2,34,36,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BuChE (unknown origin)				Eur J Med Chem 132: 294-309 (2017) Article DOI: 10.1016/j.ejmech.2017.03.062 BindingDB Entry DOI: 10.7270/Q2HX1G33
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM8970 (CHEMBL51197 | N-[7-(1,2,3,4-tetrahydroacridin-9-yl...) Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCCSc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C33H39N3S/c1(2-12-22-34-32-24-14-4-8-18-28(24)35-29-19-9-5-15-25(29)32)3-13-23-37-33-26-16-6-10-20-30(26)36-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of fetal bovine serum AChE using acetylthiocholine iodide as substrate				Eur J Med Chem 132: 294-309 (2017) Article DOI: 10.1016/j.ejmech.2017.03.062 BindingDB Entry DOI: 10.7270/Q2HX1G33
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM10520 (9-{[7-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)hept...) Show SMILES C(CCCSc1c2CCCCc2nc2ccccc12)CCCSc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C33H38N2S2/c1(2-12-22-36-32-24-14-4-8-18-28(24)34-29-19-9-5-15-25(29)32)3-13-23-37-33-26-16-6-10-20-30(26)35-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	380	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 butyrylthiocholine iodide as substrate				Eur J Med Chem 132: 294-309 (2017) Article DOI: 10.1016/j.ejmech.2017.03.062 BindingDB Entry DOI: 10.7270/Q2HX1G33
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50245736 (CHEMBL4099400) Show SMILES CCN1CCc2c(C1)c1cc(F)ccc1n2CCC(=O)N1c2ccccc2Sc2ccccc12 Show InChI InChI=1S/C28H26FN3OS/c1-2-30-15-13-23-21(18-30)20-17-19(29)11-12-22(20)31(23)16-14-28(33)32-24-7-3-5-9-26(24)34-27-10-6-4-8-25(27)32/h3-12,17H,2,13-16,18H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition by DTNB reagent b...				Eur J Med Chem 132: 294-309 (2017) Article DOI: 10.1016/j.ejmech.2017.03.062 BindingDB Entry DOI: 10.7270/Q2HX1G33
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50245717 (CHEMBL4068410) Show SMILES [H][C@]12C(C)CC[C@@]1(C)c1cc(OC(=O)Nc3ccc(cc3)C(C)C)ccc1C2C |r| Show InChI InChI=1S/C25H31NO2/c1-15(2)18-6-8-19(9-7-18)26-24(27)28-20-10-11-21-17(4)23-16(3)12-13-25(23,5)22(21)14-20/h6-11,14-17,23H,12-13H2,1-5H3,(H,26,27)/t16?,17?,23-,25+/m1/s1	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	760	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human plasma AChE using acetyl-(beta-methyl)thiocholine as substrate pretreated for 30 mins followed by substrate addition after 25 min...				Eur J Med Chem 132: 294-309 (2017) Article DOI: 10.1016/j.ejmech.2017.03.062 BindingDB Entry DOI: 10.7270/Q2HX1G33
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50245716 (CHEMBL4084610) Show SMILES CC(=O)N(CCCNc1c2CCCCc2nc2ccccc12)CCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C33H39N5O/c1-23(39)38(22-20-35-33-26-13-4-8-17-30(26)37-31-18-9-5-14-27(31)33)21-10-19-34-32-24-11-2-6-15-28(24)36-29-16-7-3-12-25(29)32/h2,4,6,8,11,13,15,17H,3,5,7,9-10,12,14,16,18-22H2,1H3,(H,34,36)(H,35,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of fetal bovine serum AChE using acetylthiocholine iodide as substrate				Eur J Med Chem 132: 294-309 (2017) Article DOI: 10.1016/j.ejmech.2017.03.062 BindingDB Entry DOI: 10.7270/Q2HX1G33
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50245718 (CHEMBL4095755) Show SMILES [H][C@]12C(C)CC[C@@]1(C)c1cc(OC(=O)Nc3ccccc3)ccc1C2C |r| Show InChI InChI=1S/C22H25NO2/c1-14-11-12-22(3)19-13-17(9-10-18(19)15(2)20(14)22)25-21(24)23-16-7-5-4-6-8-16/h4-10,13-15,20H,11-12H2,1-3H3,(H,23,24)/t14?,15?,20-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human RBC BuChE using s-butyrylthiocholine as substrate pretreated for 30 mins followed by substrate addition after 25 mins by spectrop...				Eur J Med Chem 132: 294-309 (2017) Article DOI: 10.1016/j.ejmech.2017.03.062 BindingDB Entry DOI: 10.7270/Q2HX1G33
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50245727 (CHEMBL4063321) Show SMILES COc1ccc(Cn2cc(CNc3c4CCCCc4nc4ccccc34)nn2)cc1 Show InChI InChI=1S/C24H25N5O/c1-30-19-12-10-17(11-13-19)15-29-16-18(27-28-29)14-25-24-20-6-2-4-8-22(20)26-23-9-5-3-7-21(23)24/h2,4,6,8,10-13,16H,3,5,7,9,14-15H2,1H3,(H,25,26)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	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				Eur J Med Chem 132: 294-309 (2017) Article DOI: 10.1016/j.ejmech.2017.03.062 BindingDB Entry DOI: 10.7270/Q2HX1G33
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50245715 (CHEMBL4072478) Show SMILES COc1ccc2nc3CCCCc3c(NCCCCCCCNC(=S)NC34CC5CC(CC(C5)C3)C4)c2c1 |TLB:29:30:27.28.33:34,THB:29:28:34:35.30.31,31:30:27:33.32.34,31:32:27:35.29.30| Show InChI InChI=1S/C32H46N4OS/c1-37-25-11-12-29-27(18-25)30(26-9-5-6-10-28(26)35-29)33-13-7-3-2-4-8-14-34-31(38)36-32-19-22-15-23(20-32)17-24(16-22)21-32/h11-12,18,22-24H,2-10,13-17,19-21H2,1H3,(H,33,35)(H2,34,36,38)	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	3.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine chloride as substrate after 5 mins by spectrophotometric metho...				Eur J Med Chem 132: 294-309 (2017) Article DOI: 10.1016/j.ejmech.2017.03.062 BindingDB Entry DOI: 10.7270/Q2HX1G33
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50245709 (CHEMBL4082964) Show SMILES COc1ccccc1CN1CCN(Cc2ccc3cccnc3c2O)CC1 Show InChI InChI=1S/C22H25N3O2/c1-27-20-7-3-2-5-18(20)15-24-11-13-25(14-12-24)16-19-9-8-17-6-4-10-23-21(17)22(19)26/h2-10,26H,11-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate pretreated for 20 mins followed by substrate addition by DTNB reagent ba...				Eur J Med Chem 132: 294-309 (2017) Article DOI: 10.1016/j.ejmech.2017.03.062 BindingDB Entry DOI: 10.7270/Q2HX1G33
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM199199 (N-(Pyridin-2-ylmethyl)-1,2,3,4-tetrahydroacridin-9...) Show SMILES C(Nc1c2CCCCc2nc2ccccc12)c1ccccn1 Show InChI InChI=1S/C19H19N3/c1-3-10-17-15(8-1)19(16-9-2-4-11-18(16)22-17)21-13-14-7-5-6-12-20-14/h1,3,5-8,10,12H,2,4,9,11,13H2,(H,21,22)	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	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrate addition measured at 1 ...				Eur J Med Chem 132: 294-309 (2017) Article DOI: 10.1016/j.ejmech.2017.03.062 BindingDB Entry DOI: 10.7270/Q2HX1G33
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50245730 (CHEMBL1730860) Show SMILES Oc1ccc(cc1)-c1cnc2ccccc2n1 Show InChI InChI=1S/C14H10N2O/c17-11-7-5-10(6-8-11)14-9-15-12-3-1-2-4-13(12)16-14/h1-9,17H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BuChE (unknown origin)				Eur J Med Chem 132: 294-309 (2017) Article DOI: 10.1016/j.ejmech.2017.03.062 BindingDB Entry DOI: 10.7270/Q2HX1G33
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM10520 (9-{[7-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)hept...) Show SMILES C(CCCSc1c2CCCCc2nc2ccccc12)CCCSc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C33H38N2S2/c1(2-12-22-36-32-24-14-4-8-18-28(24)34-29-19-9-5-15-25(29)32)3-13-23-37-33-26-16-6-10-20-30(26)35-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of fetal bovine serum AChE using acetylthiocholine iodide as substrate				Eur J Med Chem 132: 294-309 (2017) Article DOI: 10.1016/j.ejmech.2017.03.062 BindingDB Entry DOI: 10.7270/Q2HX1G33
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50245708 (CHEMBL4067633) Show SMILES Oc1ccccc1\C=C\c1cc(O)c(F)c(O)c1 Show InChI InChI=1S/C14H11FO3/c15-14-12(17)7-9(8-13(14)18)5-6-10-3-1-2-4-11(10)16/h1-8,16-18H/b6-5+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate measured at 12 secs interval for 10 mins by Ellman's method				Eur J Med Chem 132: 294-309 (2017) Article DOI: 10.1016/j.ejmech.2017.03.062 BindingDB Entry DOI: 10.7270/Q2HX1G33
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50235800 (Bambuterol | CHEBI:553827) Show SMILES CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC(C)(C)C Show InChI InChI=1S/C18H29N3O5/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7/h8-10,15,19,22H,11H2,1-7H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin)				Eur J Med Chem 132: 294-309 (2017) Article DOI: 10.1016/j.ejmech.2017.03.062 BindingDB Entry DOI: 10.7270/Q2HX1G33
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50245735 (CHEMBL4079247) Show SMILES COc1ccc(N[C@@H]2CCC[C@H](C2)OC(=O)N(C)C)cc1 |r| Show InChI InChI=1S/C16H24N2O3/c1-18(2)16(19)21-15-6-4-5-13(11-15)17-12-7-9-14(20-3)10-8-12/h7-10,13,15,17H,4-6,11H2,1-3H3/t13-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human plasma BuChE using butyrylthiocholine iodine as substrate pretreated for 10 mins followed by substrate addition measured for 5 mi...				Eur J Med Chem 132: 294-309 (2017) Article DOI: 10.1016/j.ejmech.2017.03.062 BindingDB Entry DOI: 10.7270/Q2HX1G33
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50245729 (CHEMBL4080162) Show SMILES COc1ccc(N[C@H]2CCC[C@H](C2)OC(=O)N(C)C)cc1 |r| Show InChI InChI=1S/C16H24N2O3/c1-18(2)16(19)21-15-6-4-5-13(11-15)17-12-7-9-14(20-3)10-8-12/h7-10,13,15,17H,4-6,11H2,1-3H3/t13-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human plasma BuChE using butyrylthiocholine iodine as substrate pretreated for 10 mins followed by substrate addition measured for 5 mi...				Eur J Med Chem 132: 294-309 (2017) Article DOI: 10.1016/j.ejmech.2017.03.062 BindingDB Entry DOI: 10.7270/Q2HX1G33
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM23926 ((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...) Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1 Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+	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	4.00E+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 butyrylthiocholine iodide as substrate measured at 12 secs interval for 10 mins by Ellman's method				Eur J Med Chem 132: 294-309 (2017) Article DOI: 10.1016/j.ejmech.2017.03.062 BindingDB Entry DOI: 10.7270/Q2HX1G33
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50245708 (CHEMBL4067633) Show SMILES Oc1ccccc1\C=C\c1cc(O)c(F)c(O)c1 Show InChI InChI=1S/C14H11FO3/c15-14-12(17)7-9(8-13(14)18)5-6-10-3-1-2-4-11(10)16/h1-8,16-18H/b6-5+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.60E+5	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 measured at 12 secs interval for 10 mins by Ellman's method				Eur J Med Chem 132: 294-309 (2017) Article DOI: 10.1016/j.ejmech.2017.03.062 BindingDB Entry DOI: 10.7270/Q2HX1G33
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM23926 ((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...) Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1 Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+6	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 measured at 12 secs interval for 10 mins by Ellman's method				Eur J Med Chem 132: 294-309 (2017) Article DOI: 10.1016/j.ejmech.2017.03.062 BindingDB Entry DOI: 10.7270/Q2HX1G33
					More data for this Ligand-Target Pair