Compile Data Set for Download or QSAR

Found 329 hits with Last Name = 'basiri' and Initial = 'a'   

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))	BDBM50447970 (CHEMBL3115043) Show SMILES CN1C[C@@H](c2ccccc2F)[C@@]2(CN(C\C(=C/c3ccccc3F)C2=O)C(=O)C=C)[C@@]11C(=O)Nc2ccccc12 |r| Show InChI InChI=1S/C32H27F2N3O3/c1-3-28(38)37-17-21(16-20-10-4-7-13-25(20)33)29(39)31(19-37)24(22-11-5-8-14-26(22)34)18-36(2)32(31)23-12-6-9-15-27(23)35-30(32)40/h3-16,24H,1,17-19H2,2H3,(H,35,40)/b21-16+/t24-,31+,32+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.76E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Mixed-type inhibition of equine serum BChE using S-butyrylthiocholine chloride as substrate by Dixon plot analysis				Bioorg Med Chem 22: 1318-28 (2014) Article DOI: 10.1016/j.bmc.2014.01.002 BindingDB Entry DOI: 10.7270/Q25X2BDR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50445716 (CHEMBL3104317) Show SMILES Cc1ccc(\C=C2/CNCC3=C2N=C2SC=C(N2C3c2ccc(C)cc2)c2ccccc2)cc1 |c:10,16,t:13| Show InChI InChI=1S/C30H27N3S/c1-20-8-12-22(13-9-20)16-25-17-31-18-26-28(25)32-30-33(29(26)24-14-10-21(2)11-15-24)27(19-34-30)23-6-4-3-5-7-23/h3-16,19,29,31H,17-18H2,1-2H3/b25-16+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrat...				Bioorg Med Chem 22: 906-16 (2014) Article DOI: 10.1016/j.bmc.2013.11.020 BindingDB Entry DOI: 10.7270/Q23R0VBZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50206892 (CHEMBL3948489) Show SMILES Brc1ccc(\C=C2\CNCC3=C2N=C2SC=C(N2C3c2ccc(Br)cc2)c2ccc3ccccc3c2)cc1 |c:10,16,t:13| Show InChI InChI=1S/C32H23Br2N3S/c33-26-11-5-20(6-12-26)15-25-17-35-18-28-30(25)36-32-37(31(28)22-9-13-27(34)14-10-22)29(19-38-32)24-8-7-21-3-1-2-4-23(21)16-24/h1-16,19,31,35H,17-18H2/b25-15-	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	730	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (unknown origin) assessed as reduction in formation of 5-thio-2-nitrobenzoate from acetylthiocholine iodide preinc...				Bioorg Med Chem Lett 27: 228-231 (2017) Article DOI: 10.1016/j.bmcl.2016.11.065 BindingDB Entry DOI: 10.7270/Q28054MQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50434513 (CHEMBL2385778) Show SMILES COc1ccccc1C=C1CNCC2C(NC(=S)N=C12)c1ccccc1OC |w:8.8,t:19| Show InChI InChI=1S/C22H23N3O2S/c1-26-18-9-5-3-7-14(18)11-15-12-23-13-17-20(15)24-22(28)25-21(17)16-8-4-6-10-19(16)27-2/h3-11,17,21,23H,12-13H2,1-2H3,(H,25,28)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylcholine iodide as substrate incubated for 15 mins prior to substrate addition measured after 30 mins by E...				Bioorg Med Chem 21: 3022-31 (2013) Article DOI: 10.1016/j.bmc.2013.03.058 BindingDB Entry DOI: 10.7270/Q2V40WK4
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50445693 (CHEMBL3104448) Show SMILES COc1ccccc1\C=C1/CNCC2C1NC(=S)NC2c1ccccc1OC Show InChI InChI=1S/C22H25N3O2S/c1-26-18-9-5-3-7-14(18)11-15-12-23-13-17-20(15)24-22(28)25-21(17)16-8-4-6-10-19(16)27-2/h3-11,17,20-21,23H,12-13H2,1-2H3,(H2,24,25,28)/b15-11+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrat...				Bioorg Med Chem 22: 906-16 (2014) Article DOI: 10.1016/j.bmc.2013.11.020 BindingDB Entry DOI: 10.7270/Q23R0VBZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50206895 (CHEMBL3983017) Show SMILES Brc1ccc(\C=C2/CN(Cc3ccc4ccccc4c3)C\C(=C/c3ccc(Br)cc3)C2=O)cc1 Show InChI InChI=1S/C30H23Br2NO/c31-28-11-6-21(7-12-28)15-26-19-33(18-23-5-10-24-3-1-2-4-25(24)17-23)20-27(30(26)34)16-22-8-13-29(32)14-9-22/h1-17H,18-20H2/b26-15+,27-16+	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	830	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (unknown origin) assessed as reduction in formation of 5-thio-2-nitrobenzoate from acetylthiocholine iodide preinc...				Bioorg Med Chem Lett 27: 228-231 (2017) Article DOI: 10.1016/j.bmcl.2016.11.065 BindingDB Entry DOI: 10.7270/Q28054MQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50439104 (CHEMBL2417659) Show SMILES CCN1CC2C(NC(=S)N=C2C(C1)=Cc1ccccc1)c1ccccc1 |w:13.15,c:9| Show InChI InChI=1S/C22H23N3S/c1-2-25-14-18(13-16-9-5-3-6-10-16)21-19(15-25)20(23-22(26)24-21)17-11-7-4-8-12-17/h3-13,19-20H,2,14-15H2,1H3,(H,23,26)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	920	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition measured after 30...				Eur J Med Chem 67: 221-9 (2013) Article DOI: 10.1016/j.ejmech.2013.06.054 BindingDB Entry DOI: 10.7270/Q2VH5Q78
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50206890 (CHEMBL3910830) Show SMILES Cc1ccc(\C=C2\CNCC3=C2N=C2SC=C(N2C3c2ccc(C)cc2)c2ccc3ccccc3c2)cc1 |c:10,16,t:13| Show InChI InChI=1S/C34H29N3S/c1-22-7-11-24(12-8-22)17-29-19-35-20-30-32(29)36-34-37(33(30)26-13-9-23(2)10-14-26)31(21-38-34)28-16-15-25-5-3-4-6-27(25)18-28/h3-18,21,33,35H,19-20H2,1-2H3/b29-17-	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	980	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (unknown origin) assessed as reduction in formation of 5-thio-2-nitrobenzoate from acetylthiocholine iodide preinc...				Bioorg Med Chem Lett 27: 228-231 (2017) Article DOI: 10.1016/j.bmcl.2016.11.065 BindingDB Entry DOI: 10.7270/Q28054MQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50206891 (CHEMBL3921785) Show SMILES Cc1ccc(cc1)C1=CSC2=NC3=C(CNC\C3=C\c3ccc(Br)cc3)C(N12)c1ccc(Br)cc1 |t:8,11,13| Show InChI InChI=1S/C29H23Br2N3S/c1-18-2-6-20(7-3-18)26-17-35-29-33-27-22(14-19-4-10-23(30)11-5-19)15-32-16-25(27)28(34(26)29)21-8-12-24(31)13-9-21/h2-14,17,28,32H,15-16H2,1H3/b22-14-	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	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (unknown origin) assessed as reduction in formation of 5-thio-2-nitrobenzoate from acetylthiocholine iodide preinc...				Bioorg Med Chem Lett 27: 228-231 (2017) Article DOI: 10.1016/j.bmcl.2016.11.065 BindingDB Entry DOI: 10.7270/Q28054MQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50206897 (CHEMBL3945423) Show SMILES Cc1ccc(cc1)C1=CSC2=NC3=C(CNC\C3=C\c3ccc(Cl)cc3)C(N12)c1ccc(Cl)cc1 |t:8,11,13| Show InChI InChI=1S/C29H23Cl2N3S/c1-18-2-6-20(7-3-18)26-17-35-29-33-27-22(14-19-4-10-23(30)11-5-19)15-32-16-25(27)28(34(26)29)21-8-12-24(31)13-9-21/h2-14,17,28,32H,15-16H2,1H3/b22-14-	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	1.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (unknown origin) assessed as reduction in formation of 5-thio-2-nitrobenzoate from acetylthiocholine iodide preinc...				Bioorg Med Chem Lett 27: 228-231 (2017) Article DOI: 10.1016/j.bmcl.2016.11.065 BindingDB Entry DOI: 10.7270/Q28054MQ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50445693 (CHEMBL3104448) Show SMILES COc1ccccc1\C=C1/CNCC2C1NC(=S)NC2c1ccccc1OC Show InChI InChI=1S/C22H25N3O2S/c1-26-18-9-5-3-7-14(18)11-15-12-23-13-17-20(15)24-22(28)25-21(17)16-8-4-6-10-19(16)27-2/h3-11,17,20-21,23H,12-13H2,1-2H3,(H2,24,25,28)/b15-11+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of equine serum butyrylcholinesterase using S-butyrylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addi...				Bioorg Med Chem 22: 906-16 (2014) Article DOI: 10.1016/j.bmc.2013.11.020 BindingDB Entry DOI: 10.7270/Q23R0VBZ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50434513 (CHEMBL2385778) Show SMILES COc1ccccc1C=C1CNCC2C(NC(=S)N=C12)c1ccccc1OC |w:8.8,t:19| Show InChI InChI=1S/C22H23N3O2S/c1-26-18-9-5-3-7-14(18)11-15-12-23-13-17-20(15)24-22(28)25-21(17)16-8-4-6-10-19(16)27-2/h3-11,17,21,23H,12-13H2,1-2H3,(H,25,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using S-butyrylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition measured after 30...				Bioorg Med Chem 21: 3022-31 (2013) Article DOI: 10.1016/j.bmc.2013.03.058 BindingDB Entry DOI: 10.7270/Q2V40WK4
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50439097 (CHEMBL1987383) Show SMILES CCN1CC2C(NC(=S)N=C2C(C1)=Cc1ccc(Cl)cc1)c1ccc(Cl)cc1 |w:13.15,c:9| Show InChI InChI=1S/C22H21Cl2N3S/c1-2-27-12-16(11-14-3-7-17(23)8-4-14)21-19(13-27)20(25-22(28)26-21)15-5-9-18(24)10-6-15/h3-11,19-20H,2,12-13H2,1H3,(H,25,28)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition measured after 30...				Eur J Med Chem 67: 221-9 (2013) Article DOI: 10.1016/j.ejmech.2013.06.054 BindingDB Entry DOI: 10.7270/Q2VH5Q78
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	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 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	DrugBank PDB Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (unknown origin) assessed as reduction in formation of 5-thio-2-nitrobenzoate from acetylthiocholine iodide preinc...				Bioorg Med Chem Lett 27: 228-231 (2017) Article DOI: 10.1016/j.bmcl.2016.11.065 BindingDB Entry DOI: 10.7270/Q28054MQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50206885 (CHEMBL3930722) Show SMILES Clc1ccc(\C=C2\CNCC3=C2N=C2SC=C(N2C3c2ccc(Cl)cc2)c2ccc3ccccc3c2)cc1 |c:10,16,t:13| Show InChI InChI=1S/C32H23Cl2N3S/c33-26-11-5-20(6-12-26)15-25-17-35-18-28-30(25)36-32-37(31(28)22-9-13-27(34)14-10-22)29(19-38-32)24-8-7-21-3-1-2-4-23(21)16-24/h1-16,19,31,35H,17-18H2/b25-15-	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	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (unknown origin) assessed as reduction in formation of 5-thio-2-nitrobenzoate from acetylthiocholine iodide preinc...				Bioorg Med Chem Lett 27: 228-231 (2017) Article DOI: 10.1016/j.bmcl.2016.11.065 BindingDB Entry DOI: 10.7270/Q28054MQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50434506 (CHEMBL2385785) Show SMILES S=C1NC(C2CNCC(=Cc3cccc4ccccc34)C2=N1)c1cccc2ccccc12 |w:9.9,c:23| Show InChI InChI=1S/C28H23N3S/c32-28-30-26-21(15-20-11-5-9-18-7-1-3-12-22(18)20)16-29-17-25(26)27(31-28)24-14-6-10-19-8-2-4-13-23(19)24/h1-15,25,27,29H,16-17H2,(H,31,32)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylcholine iodide as substrate incubated for 15 mins prior to substrate addition measured after 30 mins by E...				Bioorg Med Chem 21: 3022-31 (2013) Article DOI: 10.1016/j.bmc.2013.03.058 BindingDB Entry DOI: 10.7270/Q2V40WK4
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50445719 (CHEMBL3104452) Show SMILES C1NCC2=C(N=C3SC=C(N3C2c2ccccc2)c2ccccc2)\C1=C\c1ccccc1 |c:8,t:3,5| Show InChI InChI=1S/C28H23N3S/c1-4-10-20(11-5-1)16-23-17-29-18-24-26(23)30-28-31(27(24)22-14-8-3-9-15-22)25(19-32-28)21-12-6-2-7-13-21/h1-16,19,27,29H,17-18H2/b23-16+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrat...				Bioorg Med Chem 22: 906-16 (2014) Article DOI: 10.1016/j.bmc.2013.11.020 BindingDB Entry DOI: 10.7270/Q23R0VBZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50206896 (CHEMBL3958208) Show SMILES Brc1ccc(\C=C2\CNCC3=C2N=C2SC=C(N2C3c2ccc(Br)cc2)c2ccccc2)cc1 |c:10,16,t:13| Show InChI InChI=1S/C28H21Br2N3S/c29-22-10-6-18(7-11-22)14-21-15-31-16-24-26(21)32-28-33(27(24)20-8-12-23(30)13-9-20)25(17-34-28)19-4-2-1-3-5-19/h1-14,17,27,31H,15-16H2/b21-14-	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	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (unknown origin) assessed as reduction in formation of 5-thio-2-nitrobenzoate from acetylthiocholine iodide preinc...				Bioorg Med Chem Lett 27: 228-231 (2017) Article DOI: 10.1016/j.bmcl.2016.11.065 BindingDB Entry DOI: 10.7270/Q28054MQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50206889 (CHEMBL3928840) Show SMILES Cc1ccc(\C=C2/CN(Cc3ccc4ccccc4c3)C\C(=C/c3ccc(C)cc3)C2=O)cc1 Show InChI InChI=1S/C32H29NO/c1-23-7-11-25(12-8-23)17-30-21-33(20-27-15-16-28-5-3-4-6-29(28)19-27)22-31(32(30)34)18-26-13-9-24(2)10-14-26/h3-19H,20-22H2,1-2H3/b30-17+,31-18+	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	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (unknown origin) assessed as reduction in formation of 5-thio-2-nitrobenzoate from acetylthiocholine iodide preinc...				Bioorg Med Chem Lett 27: 228-231 (2017) Article DOI: 10.1016/j.bmcl.2016.11.065 BindingDB Entry DOI: 10.7270/Q28054MQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50445715 (CHEMBL3104318) Show SMILES Clc1ccc(\C=C2/CNCC3=C2N=C2SC=C(N2C3c2ccc(Cl)cc2)c2ccccc2)cc1 |c:10,16,t:13| Show InChI InChI=1S/C28H21Cl2N3S/c29-22-10-6-18(7-11-22)14-21-15-31-16-24-26(21)32-28-33(27(24)20-8-12-23(30)13-9-20)25(17-34-28)19-4-2-1-3-5-19/h1-14,17,27,31H,15-16H2/b21-14+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrat...				Bioorg Med Chem 22: 906-16 (2014) Article DOI: 10.1016/j.bmc.2013.11.020 BindingDB Entry DOI: 10.7270/Q23R0VBZ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50434511 (CHEMBL2385780) Show SMILES Brc1ccc(C=C2CNCC3C(NC(=S)N=C23)c2ccc(Br)cc2)cc1 |w:5.4,t:15| Show InChI InChI=1S/C20H17Br2N3S/c21-15-5-1-12(2-6-15)9-14-10-23-11-17-18(24-20(26)25-19(14)17)13-3-7-16(22)8-4-13/h1-9,17-18,23H,10-11H2,(H,24,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using S-butyrylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition measured after 30...				Bioorg Med Chem 21: 3022-31 (2013) Article DOI: 10.1016/j.bmc.2013.03.058 BindingDB Entry DOI: 10.7270/Q2V40WK4
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50008529 (CHEMBL3235940) Show SMILES Clc1ccccc1\C=C1/CN(CC2(C(C(NC22C(=O)Nc3ccccc23)c2ccccc2)c2ccccc2Cl)C1=O)C(=O)C=C Show InChI InChI=1S/C37H29Cl2N3O3/c1-2-31(43)42-21-25(20-24-14-6-9-17-28(24)38)34(44)36(22-42)32(26-15-7-10-18-29(26)39)33(23-12-4-3-5-13-23)41-37(36)27-16-8-11-19-30(27)40-35(37)45/h2-20,32-33,41H,1,21-22H2,(H,40,45)/b25-20+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins by spectrophotometer analysis				Bioorg Med Chem Lett 24: 1815-9 (2014) Article DOI: 10.1016/j.bmcl.2014.02.019 BindingDB Entry DOI: 10.7270/Q2S46TH2
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50445716 (CHEMBL3104317) Show SMILES Cc1ccc(\C=C2/CNCC3=C2N=C2SC=C(N2C3c2ccc(C)cc2)c2ccccc2)cc1 |c:10,16,t:13| Show InChI InChI=1S/C30H27N3S/c1-20-8-12-22(13-9-20)16-25-17-31-18-26-28(25)32-30-33(29(26)24-14-10-21(2)11-15-24)27(19-34-30)23-6-4-3-5-7-23/h3-16,19,29,31H,17-18H2,1-2H3/b25-16+	PDB 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
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of equine serum butyrylcholinesterase using S-butyrylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addi...				Bioorg Med Chem 22: 906-16 (2014) Article DOI: 10.1016/j.bmc.2013.11.020 BindingDB Entry DOI: 10.7270/Q23R0VBZ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50445719 (CHEMBL3104452) Show SMILES C1NCC2=C(N=C3SC=C(N3C2c2ccccc2)c2ccccc2)\C1=C\c1ccccc1 |c:8,t:3,5| Show InChI InChI=1S/C28H23N3S/c1-4-10-20(11-5-1)16-23-17-29-18-24-26(23)30-28-31(27(24)22-14-8-3-9-15-22)25(19-32-28)21-12-6-2-7-13-21/h1-16,19,27,29H,17-18H2/b23-16+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of equine serum butyrylcholinesterase using S-butyrylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addi...				Bioorg Med Chem 22: 906-16 (2014) Article DOI: 10.1016/j.bmc.2013.11.020 BindingDB Entry DOI: 10.7270/Q23R0VBZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50206893 (CHEMBL3901794) Show SMILES Cc1ccc(\C=C2\CNCC3=C2N=C2SC=C(N2C3c2ccc(C)cc2)c2ccc(C)cc2)cc1 |c:10,16,t:13| Show InChI InChI=1S/C31H29N3S/c1-20-4-10-23(11-5-20)16-26-17-32-18-27-29(26)33-31-34(30(27)25-14-8-22(3)9-15-25)28(19-35-31)24-12-6-21(2)7-13-24/h4-16,19,30,32H,17-18H2,1-3H3/b26-16-	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	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (unknown origin) assessed as reduction in formation of 5-thio-2-nitrobenzoate from acetylthiocholine iodide preinc...				Bioorg Med Chem Lett 27: 228-231 (2017) Article DOI: 10.1016/j.bmcl.2016.11.065 BindingDB Entry DOI: 10.7270/Q28054MQ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50439093 (CHEMBL2417668) Show SMILES Cc1ccccc1C=C1CN(CCN2CCOCC2)CC2C(NC(=S)N=C12)c1ccccc1C |w:7.7,t:27| Show InChI InChI=1S/C28H34N4OS/c1-20-7-3-5-9-22(20)17-23-18-32(12-11-31-13-15-33-16-14-31)19-25-26(23)29-28(34)30-27(25)24-10-6-4-8-21(24)2/h3-10,17,25,27H,11-16,18-19H2,1-2H3,(H,30,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using S-butyrylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition measured afte...				Eur J Med Chem 67: 221-9 (2013) Article DOI: 10.1016/j.ejmech.2013.06.054 BindingDB Entry DOI: 10.7270/Q2VH5Q78
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50206886 (CHEMBL3955393) Show SMILES O=C1\C(CN(Cc2ccc3ccccc3c2)C\C1=C/c1ccccc1)=C\c1ccccc1 Show InChI InChI=1S/C30H25NO/c32-30-28(17-23-9-3-1-4-10-23)21-31(22-29(30)18-24-11-5-2-6-12-24)20-25-15-16-26-13-7-8-14-27(26)19-25/h1-19H,20-22H2/b28-17+,29-18+	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	1.93E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (unknown origin) assessed as reduction in formation of 5-thio-2-nitrobenzoate from acetylthiocholine iodide preinc...				Bioorg Med Chem Lett 27: 228-231 (2017) Article DOI: 10.1016/j.bmcl.2016.11.065 BindingDB Entry DOI: 10.7270/Q28054MQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50445718 (CHEMBL3104453) Show SMILES Clc1ccccc1\C=C1/CNCC2=C1N=C1SC=C(N1C2c1ccccc1Cl)c1ccccc1 |c:13,19,t:16| Show InChI InChI=1S/C28H21Cl2N3S/c29-23-12-6-4-10-19(23)14-20-15-31-16-22-26(20)32-28-33(27(22)21-11-5-7-13-24(21)30)25(17-34-28)18-8-2-1-3-9-18/h1-14,17,27,31H,15-16H2/b20-14+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrat...				Bioorg Med Chem 22: 906-16 (2014) Article DOI: 10.1016/j.bmc.2013.11.020 BindingDB Entry DOI: 10.7270/Q23R0VBZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50439096 (CHEMBL2417665) Show SMILES CCN1CC2C(NC(=S)N=C2C(C1)=Cc1ccc(F)cc1)c1ccc(F)cc1 |w:13.15,c:9| Show InChI InChI=1S/C22H21F2N3S/c1-2-27-12-16(11-14-3-7-17(23)8-4-14)21-19(13-27)20(25-22(28)26-21)15-5-9-18(24)10-6-15/h3-11,19-20H,2,12-13H2,1H3,(H,25,28)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition measured after 30...				Eur J Med Chem 67: 221-9 (2013) Article DOI: 10.1016/j.ejmech.2013.06.054 BindingDB Entry DOI: 10.7270/Q2VH5Q78
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50008675 (CHEMBL3235947) Show SMILES C=CC(=O)N1C\C(=C/c2cccc3ccccc23)C(=O)C2(C1)C(C(NC21C(=O)Nc2ccccc12)c1ccccc1)c1cccc2ccccc12 Show InChI InChI=1S/C45H35N3O3/c1-2-39(49)48-27-33(26-32-20-12-18-29-14-6-8-21-34(29)32)42(50)44(28-48)40(36-23-13-19-30-15-7-9-22-35(30)36)41(31-16-4-3-5-17-31)47-45(44)37-24-10-11-25-38(37)46-43(45)51/h2-26,40-41,47H,1,27-28H2,(H,46,51)/b33-26+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins by spectrophotometer analysis				Bioorg Med Chem Lett 24: 1815-9 (2014) Article DOI: 10.1016/j.bmcl.2014.02.019 BindingDB Entry DOI: 10.7270/Q2S46TH2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	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 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	DrugBank PDB Article PubMed	n/a	n/a	2.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine iodide substrate by Ellman's method based spectrophotometry				Bioorg Med Chem 21: 1696-707 (2013) Article DOI: 10.1016/j.bmc.2013.01.066 BindingDB Entry DOI: 10.7270/Q2RJ4KVQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	2.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins by spectrophotometer analysis				Bioorg Med Chem Lett 24: 1815-9 (2014) Article DOI: 10.1016/j.bmcl.2014.02.019 BindingDB Entry DOI: 10.7270/Q2S46TH2
					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	2.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrat...				Bioorg Med Chem 22: 906-16 (2014) Article DOI: 10.1016/j.bmc.2013.11.020 BindingDB Entry DOI: 10.7270/Q23R0VBZ
					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	2.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition measured after 30...				Eur J Med Chem 67: 221-9 (2013) Article DOI: 10.1016/j.ejmech.2013.06.054 BindingDB Entry DOI: 10.7270/Q2VH5Q78
					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	2.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylcholine iodide as substrate incubated for 15 mins prior to substrate addition measured after 30 mins by E...				Bioorg Med Chem 21: 3022-31 (2013) Article DOI: 10.1016/j.bmc.2013.03.058 BindingDB Entry DOI: 10.7270/Q2V40WK4
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50445715 (CHEMBL3104318) Show SMILES Clc1ccc(\C=C2/CNCC3=C2N=C2SC=C(N2C3c2ccc(Cl)cc2)c2ccccc2)cc1 |c:10,16,t:13| Show InChI InChI=1S/C28H21Cl2N3S/c29-22-10-6-18(7-11-22)14-21-15-31-16-24-26(21)32-28-33(27(24)20-8-12-23(30)13-9-20)25(17-34-28)19-4-2-1-3-5-19/h1-14,17,27,31H,15-16H2/b21-14+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of equine serum butyrylcholinesterase using S-butyrylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addi...				Bioorg Med Chem 22: 906-16 (2014) Article DOI: 10.1016/j.bmc.2013.11.020 BindingDB Entry DOI: 10.7270/Q23R0VBZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50434509 (CHEMBL2385782) Show SMILES Clc1ccc(C=C2CNCC3C(NC(=S)N=C23)c2ccc(Cl)cc2)cc1 |w:5.4,t:15| Show InChI InChI=1S/C20H17Cl2N3S/c21-15-5-1-12(2-6-15)9-14-10-23-11-17-18(24-20(26)25-19(14)17)13-3-7-16(22)8-4-13/h1-9,17-18,23H,10-11H2,(H,24,26)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylcholine iodide as substrate incubated for 15 mins prior to substrate addition measured after 30 mins by E...				Bioorg Med Chem 21: 3022-31 (2013) Article DOI: 10.1016/j.bmc.2013.03.058 BindingDB Entry DOI: 10.7270/Q2V40WK4
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50445721 (CHEMBL3104450) Show SMILES Clc1ccc(\C=C2/CNCC3C2NC(=S)NC3c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C20H19Cl2N3S/c21-15-5-1-12(2-6-15)9-14-10-23-11-17-18(24-20(26)25-19(14)17)13-3-7-16(22)8-4-13/h1-9,17-19,23H,10-11H2,(H2,24,25,26)/b14-9+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrat...				Bioorg Med Chem 22: 906-16 (2014) Article DOI: 10.1016/j.bmc.2013.11.020 BindingDB Entry DOI: 10.7270/Q23R0VBZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50008530 (CHEMBL3235941) Show SMILES Fc1ccccc1\C=C1/CN(CC2(C(C(NC22C(=O)Nc3ccccc23)c2ccccc2)c2ccccc2F)C1=O)C(=O)C=C Show InChI InChI=1S/C37H29F2N3O3/c1-2-31(43)42-21-25(20-24-14-6-9-17-28(24)38)34(44)36(22-42)32(26-15-7-10-18-29(26)39)33(23-12-4-3-5-13-23)41-37(36)27-16-8-11-19-30(27)40-35(37)45/h2-20,32-33,41H,1,21-22H2,(H,40,45)/b25-20+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins by spectrophotometer analysis				Bioorg Med Chem Lett 24: 1815-9 (2014) Article DOI: 10.1016/j.bmcl.2014.02.019 BindingDB Entry DOI: 10.7270/Q2S46TH2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50206894 (CHEMBL3972865) Show SMILES Cc1ccc(\C=C2\CNCC3=C2N=C2SC=C(N2C3c2ccc(C)cc2)c2ccc(Br)cc2)cc1 |c:10,16,t:13| Show InChI InChI=1S/C30H26BrN3S/c1-19-3-7-21(8-4-19)15-24-16-32-17-26-28(24)33-30-34(29(26)23-9-5-20(2)6-10-23)27(18-35-30)22-11-13-25(31)14-12-22/h3-15,18,29,32H,16-17H2,1-2H3/b24-15-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (unknown origin) assessed as reduction in formation of 5-thio-2-nitrobenzoate from acetylthiocholine iodide preinc...				Bioorg Med Chem Lett 27: 228-231 (2017) Article DOI: 10.1016/j.bmcl.2016.11.065 BindingDB Entry DOI: 10.7270/Q28054MQ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50439092 (CHEMBL2417669) Show SMILES Clc1ccccc1C=C1CN(CCN2CCOCC2)CC2C(NC(=S)N=C12)c1ccccc1Cl |w:7.7,t:27| Show InChI InChI=1S/C26H28Cl2N4OS/c27-22-7-3-1-5-18(22)15-19-16-32(10-9-31-11-13-33-14-12-31)17-21-24(19)29-26(34)30-25(21)20-6-2-4-8-23(20)28/h1-8,15,21,25H,9-14,16-17H2,(H,30,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.44E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using S-butyrylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition measured afte...				Eur J Med Chem 67: 221-9 (2013) Article DOI: 10.1016/j.ejmech.2013.06.054 BindingDB Entry DOI: 10.7270/Q2VH5Q78
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50434527 (CHEMBL2385764) Show SMILES Clc1ccccc1C=C1CNCC2C(NC(=O)N=C12)c1ccccc1Cl |w:7.7,t:18| Show InChI InChI=1S/C20H17Cl2N3O/c21-16-7-3-1-5-12(16)9-13-10-23-11-15-18(13)24-20(26)25-19(15)14-6-2-4-8-17(14)22/h1-9,15,19,23H,10-11H2,(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using S-butyrylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition measured after 30...				Bioorg Med Chem 21: 3022-31 (2013) Article DOI: 10.1016/j.bmc.2013.03.058 BindingDB Entry DOI: 10.7270/Q2V40WK4
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50445718 (CHEMBL3104453) Show SMILES Clc1ccccc1\C=C1/CNCC2=C1N=C1SC=C(N1C2c1ccccc1Cl)c1ccccc1 |c:13,19,t:16| Show InChI InChI=1S/C28H21Cl2N3S/c29-23-12-6-4-10-19(23)14-20-15-31-16-22-26(20)32-28-33(27(22)21-11-5-7-13-24(21)30)25(17-34-28)18-8-2-1-3-9-18/h1-14,17,27,31H,15-16H2/b20-14+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of equine serum butyrylcholinesterase using S-butyrylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addi...				Bioorg Med Chem 22: 906-16 (2014) Article DOI: 10.1016/j.bmc.2013.11.020 BindingDB Entry DOI: 10.7270/Q23R0VBZ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50008674 (CHEMBL3235946) Show SMILES Fc1ccc(\C=C2/CN(CC3(C(C(NC33C(=O)Nc4ccccc34)c3ccccc3)c3ccc(F)cc3)C2=O)C(=O)C=C)cc1 Show InChI InChI=1S/C37H29F2N3O3/c1-2-31(43)42-21-26(20-23-12-16-27(38)17-13-23)34(44)36(22-42)32(24-14-18-28(39)19-15-24)33(25-8-4-3-5-9-25)41-37(36)29-10-6-7-11-30(29)40-35(37)45/h2-20,32-33,41H,1,21-22H2,(H,40,45)/b26-20+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using S-butyrylthiocholine chloride as substrate preincubated for 15 mins by spectrophotometer analysis				Bioorg Med Chem Lett 24: 1815-9 (2014) Article DOI: 10.1016/j.bmcl.2014.02.019 BindingDB Entry DOI: 10.7270/Q2S46TH2
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50434529 (CHEMBL2385762) Show SMILES O=C1NC(C2CNCC(=Cc3ccccc3)C2=N1)c1ccccc1 |w:9.9,c:18| Show InChI InChI=1S/C20H19N3O/c24-20-22-18(15-9-5-2-6-10-15)17-13-21-12-16(19(17)23-20)11-14-7-3-1-4-8-14/h1-11,17-18,21H,12-13H2,(H,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using S-butyrylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition measured after 30...				Bioorg Med Chem 21: 3022-31 (2013) Article DOI: 10.1016/j.bmc.2013.03.058 BindingDB Entry DOI: 10.7270/Q2V40WK4
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50434515 (CHEMBL2385776) Show SMILES Clc1ccccc1C=C1CNCC2C(NC(=S)N=C12)c1ccccc1Cl |w:7.7,t:18| Show InChI InChI=1S/C20H17Cl2N3S/c21-16-7-3-1-5-12(16)9-13-10-23-11-15-18(13)24-20(26)25-19(15)14-6-2-4-8-17(14)22/h1-9,15,19,23H,10-11H2,(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.91E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using S-butyrylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition measured after 30...				Bioorg Med Chem 21: 3022-31 (2013) Article DOI: 10.1016/j.bmc.2013.03.058 BindingDB Entry DOI: 10.7270/Q2V40WK4
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50445694 (CHEMBL3104447) Show SMILES Clc1ccccc1\C=C1/CNCC2C1NC(=S)NC2c1ccccc1Cl Show InChI InChI=1S/C20H19Cl2N3S/c21-16-7-3-1-5-12(16)9-13-10-23-11-15-18(13)24-20(26)25-19(15)14-6-2-4-8-17(14)22/h1-9,15,18-19,23H,10-11H2,(H2,24,25,26)/b13-9+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.91E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of equine serum butyrylcholinesterase using S-butyrylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addi...				Bioorg Med Chem 22: 906-16 (2014) Article DOI: 10.1016/j.bmc.2013.11.020 BindingDB Entry DOI: 10.7270/Q23R0VBZ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50439091 (CHEMBL2417670) Show SMILES Fc1ccccc1C=C1CN(CCN2CCOCC2)CC2C(NC(=S)N=C12)c1ccccc1F |w:7.7,t:27| Show InChI InChI=1S/C26H28F2N4OS/c27-22-7-3-1-5-18(22)15-19-16-32(10-9-31-11-13-33-14-12-31)17-21-24(19)29-26(34)30-25(21)20-6-2-4-8-23(20)28/h1-8,15,21,25H,9-14,16-17H2,(H,30,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using S-butyrylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition measured afte...				Eur J Med Chem 67: 221-9 (2013) Article DOI: 10.1016/j.ejmech.2013.06.054 BindingDB Entry DOI: 10.7270/Q2VH5Q78
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50434516 (CHEMBL2385775) Show SMILES Cc1ccccc1C=C1CNCC2C(NC(=S)N=C12)c1ccccc1C |w:7.7,t:18| Show InChI InChI=1S/C22H23N3S/c1-14-7-3-5-9-16(14)11-17-12-23-13-19-20(17)24-22(26)25-21(19)18-10-6-4-8-15(18)2/h3-11,19,21,23H,12-13H2,1-2H3,(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using S-butyrylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition measured after 30...				Bioorg Med Chem 21: 3022-31 (2013) Article DOI: 10.1016/j.bmc.2013.03.058 BindingDB Entry DOI: 10.7270/Q2V40WK4
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50433622 (CHEMBL2380672) Show SMILES Fc1ccccc1\C=C1/CN(C\C(=C/c2ccccc2F)C1=O)C(=O)[C@H]1C[C@H]2CCCN2[C@]11C(=O)Nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C34H28ClF2N3O3/c35-24-11-12-26-30(16-24)38-33(43)34(26)27(17-25-8-5-13-40(25)34)32(42)39-18-22(14-20-6-1-3-9-28(20)36)31(41)23(19-39)15-21-7-2-4-10-29(21)37/h1-4,6-7,9-12,14-16,25,27H,5,8,13,17-19H2,(H,38,43)/b22-14+,23-15+/t25-,27-,34+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using S-butyrylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition measured after 30...				Bioorg Med Chem Lett 23: 2979-83 (2013) Article DOI: 10.1016/j.bmcl.2013.03.027 BindingDB Entry DOI: 10.7270/Q2057H97
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 329 total )  |  Next  |  Last  >>

Jump to: