Compile Data Set for Download or QSAR

Found 29 hits with Last Name = 'mughal' and Initial = 'eu'   

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 (Homo sapiens (Human))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
University of Gujrat Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (unknown origin) using acetylthiocholine iodide as substrate incubated for 10 mins followed by substrate addition ...				Bioorg Med Chem 25: 100-106 (2017) Article DOI: 10.1016/j.bmc.2016.10.016 BindingDB Entry DOI: 10.7270/Q2B85B3V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
University of Gujrat Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measured after 20 m...				Bioorg Med Chem 26: 3696-3706 (2018) Article DOI: 10.1016/j.bmc.2018.05.050 BindingDB Entry DOI: 10.7270/Q2V69N32
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
University of Gujrat Curated by ChEMBL					Assay Description Inhibition of butyrylcholinesterase (unknown origin) using butyrylthiocholine chloride as substrate incubated for 10 mins followed by substrate addit...				Bioorg Med Chem 25: 100-106 (2017) Article DOI: 10.1016/j.bmc.2016.10.016 BindingDB Entry DOI: 10.7270/Q2B85B3V
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
University of Gujrat Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using butyrylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measured after 20 m...				Bioorg Med Chem 26: 3696-3706 (2018) Article DOI: 10.1016/j.bmc.2018.05.050 BindingDB Entry DOI: 10.7270/Q2V69N32
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50204106 (CHEMBL3950130) Show SMILES CC(C)Cc1ccc(\C=C2/Oc3ccccc3C2=O)cc1 Show InChI InChI=1S/C19H18O2/c1-13(2)11-14-7-9-15(10-8-14)12-18-19(20)16-5-3-4-6-17(16)21-18/h3-10,12-13H,11H2,1-2H3/b18-12-	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 Gujrat Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (unknown origin) using acetylthiocholine iodide as substrate incubated for 10 mins followed by substrate addition ...				Bioorg Med Chem 25: 100-106 (2017) Article DOI: 10.1016/j.bmc.2016.10.016 BindingDB Entry DOI: 10.7270/Q2B85B3V
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50204106 (CHEMBL3950130) Show SMILES CC(C)Cc1ccc(\C=C2/Oc3ccccc3C2=O)cc1 Show InChI InChI=1S/C19H18O2/c1-13(2)11-14-7-9-15(10-8-14)12-18-19(20)16-5-3-4-6-17(16)21-18/h3-10,12-13H,11H2,1-2H3/b18-12-	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	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Gujrat Curated by ChEMBL					Assay Description Inhibition of butyrylcholinesterase (unknown origin) using butyrylthiocholine chloride as substrate incubated for 10 mins followed by substrate addit...				Bioorg Med Chem 25: 100-106 (2017) Article DOI: 10.1016/j.bmc.2016.10.016 BindingDB Entry DOI: 10.7270/Q2B85B3V
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM96228 ((2Z)-2-[(4-methoxyphenyl)methylidene]-1-benzofuran...) Show SMILES COc1ccc(\C=C2/Oc3ccccc3C2=O)cc1 Show InChI InChI=1S/C16H12O3/c1-18-12-8-6-11(7-9-12)10-15-16(17)13-4-2-3-5-14(13)19-15/h2-10H,1H3/b15-10-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Gujrat Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (unknown origin) using acetylthiocholine iodide as substrate incubated for 10 mins followed by substrate addition ...				Bioorg Med Chem 25: 100-106 (2017) Article DOI: 10.1016/j.bmc.2016.10.016 BindingDB Entry DOI: 10.7270/Q2B85B3V
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50276068 (CHEMBL4127173) Show SMILES CC(C)Cc1ccc(cc1)-c1oc2ccccc2c(=O)c1O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r| Show InChI InChI=1S/C33H36O12/c1-17(2)15-22-11-13-23(14-12-22)28-30(27(38)24-9-7-8-10-25(24)43-28)45-33-32(42-21(6)37)31(41-20(5)36)29(40-19(4)35)26(44-33)16-39-18(3)34/h7-14,17,26,29,31-33H,15-16H2,1-6H3/t26-,29-,31+,32-,33+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	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
University of Gujrat Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measured after 20 m...				Bioorg Med Chem 26: 3696-3706 (2018) Article DOI: 10.1016/j.bmc.2018.05.050 BindingDB Entry DOI: 10.7270/Q2V69N32
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50276069 (CHEMBL4128561) Show SMILES CC(=O)OC[C@H]1O[C@@H](Oc2c(oc3ccccc3c2=O)-c2ccc(Br)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C29H27BrO12/c1-14(31)36-13-22-25(37-15(2)32)27(38-16(3)33)28(39-17(4)34)29(41-22)42-26-23(35)20-7-5-6-8-21(20)40-24(26)18-9-11-19(30)12-10-18/h5-12,22,25,27-29H,13H2,1-4H3/t22-,25-,27+,28-,29+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Gujrat Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using butyrylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measured after 20 m...				Bioorg Med Chem 26: 3696-3706 (2018) Article DOI: 10.1016/j.bmc.2018.05.050 BindingDB Entry DOI: 10.7270/Q2V69N32
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50204107 (CHEMBL3985757) Show SMILES Fc1ccc(\C=C2/Oc3ccccc3C2=S)cc1 Show InChI InChI=1S/C15H9FOS/c16-11-7-5-10(6-8-11)9-14-15(18)12-3-1-2-4-13(12)17-14/h1-9H/b14-9-	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	5.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Gujrat Curated by ChEMBL					Assay Description Inhibition of butyrylcholinesterase (unknown origin) using butyrylthiocholine chloride as substrate incubated for 10 mins followed by substrate addit...				Bioorg Med Chem 25: 100-106 (2017) Article DOI: 10.1016/j.bmc.2016.10.016 BindingDB Entry DOI: 10.7270/Q2B85B3V
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50276068 (CHEMBL4127173) Show SMILES CC(C)Cc1ccc(cc1)-c1oc2ccccc2c(=O)c1O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r| Show InChI InChI=1S/C33H36O12/c1-17(2)15-22-11-13-23(14-12-22)28-30(27(38)24-9-7-8-10-25(24)43-28)45-33-32(42-21(6)37)31(41-20(5)36)29(40-19(4)35)26(44-33)16-39-18(3)34/h7-14,17,26,29,31-33H,15-16H2,1-6H3/t26-,29-,31+,32-,33+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Gujrat Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using butyrylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measured after 20 m...				Bioorg Med Chem 26: 3696-3706 (2018) Article DOI: 10.1016/j.bmc.2018.05.050 BindingDB Entry DOI: 10.7270/Q2V69N32
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50204108 (CHEMBL3957099) Show SMILES S=C1\C(Oc2ccccc12)=C\c1ccccc1 Show InChI InChI=1S/C15H10OS/c17-15-12-8-4-5-9-13(12)16-14(15)10-11-6-2-1-3-7-11/h1-10H/b14-10-	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	6.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Gujrat Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (unknown origin) using acetylthiocholine iodide as substrate incubated for 10 mins followed by substrate addition ...				Bioorg Med Chem 25: 100-106 (2017) Article DOI: 10.1016/j.bmc.2016.10.016 BindingDB Entry DOI: 10.7270/Q2B85B3V
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50276069 (CHEMBL4128561) Show SMILES CC(=O)OC[C@H]1O[C@@H](Oc2c(oc3ccccc3c2=O)-c2ccc(Br)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C29H27BrO12/c1-14(31)36-13-22-25(37-15(2)32)27(38-16(3)33)28(39-17(4)34)29(41-22)42-26-23(35)20-7-5-6-8-21(20)40-24(26)18-9-11-19(30)12-10-18/h5-12,22,25,27-29H,13H2,1-4H3/t22-,25-,27+,28-,29+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Gujrat Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measured after 20 m...				Bioorg Med Chem 26: 3696-3706 (2018) Article DOI: 10.1016/j.bmc.2018.05.050 BindingDB Entry DOI: 10.7270/Q2V69N32
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50276061 (CHEMBL4127253) Show SMILES CC(=O)OC[C@H]1O[C@@H](Oc2c(oc3ccccc3c2=O)-c2cccs2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C27H26O12S/c1-13(28)33-12-19-22(34-14(2)29)25(35-15(3)30)26(36-16(4)31)27(38-19)39-24-21(32)17-8-5-6-9-18(17)37-23(24)20-10-7-11-40-20/h5-11,19,22,25-27H,12H2,1-4H3/t19-,22-,25+,26-,27+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.85E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Gujrat Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measured after 20 m...				Bioorg Med Chem 26: 3696-3706 (2018) Article DOI: 10.1016/j.bmc.2018.05.050 BindingDB Entry DOI: 10.7270/Q2V69N32
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50276067 (CHEMBL4129776) Show SMILES CC(=O)OC[C@H]1O[C@@H](Oc2c(oc3ccccc3c2=O)-c2cccc3ccccc23)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C33H30O12/c1-17(34)39-16-26-29(40-18(2)35)31(41-19(3)36)32(42-20(4)37)33(44-26)45-30-27(38)24-13-7-8-15-25(24)43-28(30)23-14-9-11-21-10-5-6-12-22(21)23/h5-15,26,29,31-33H,16H2,1-4H3/t26-,29-,31+,32-,33+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.87E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Gujrat Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using butyrylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measured after 20 m...				Bioorg Med Chem 26: 3696-3706 (2018) Article DOI: 10.1016/j.bmc.2018.05.050 BindingDB Entry DOI: 10.7270/Q2V69N32
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50276059 (CHEMBL4126201) Show SMILES COc1ccc(cc1)-c1oc2ccccc2c(=O)c1O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r| Show InChI InChI=1S/C30H30O13/c1-15(31)37-14-23-26(38-16(2)32)28(39-17(3)33)29(40-18(4)34)30(42-23)43-27-24(35)21-8-6-7-9-22(21)41-25(27)19-10-12-20(36-5)13-11-19/h6-13,23,26,28-30H,14H2,1-5H3/t23-,26-,28+,29-,30+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Gujrat Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measured after 20 m...				Bioorg Med Chem 26: 3696-3706 (2018) Article DOI: 10.1016/j.bmc.2018.05.050 BindingDB Entry DOI: 10.7270/Q2V69N32
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50276070 (CHEMBL4127574) Show SMILES CC(=O)OC[C@H]1O[C@@H](Oc2c(oc3cc(C)ccc3c2=O)-c2ccc(Br)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C30H29BrO12/c1-14-6-11-21-22(12-14)41-25(19-7-9-20(31)10-8-19)27(24(21)36)43-30-29(40-18(5)35)28(39-17(4)34)26(38-16(3)33)23(42-30)13-37-15(2)32/h6-12,23,26,28-30H,13H2,1-5H3/t23-,26-,28+,29-,30+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Gujrat Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measured after 20 m...				Bioorg Med Chem 26: 3696-3706 (2018) Article DOI: 10.1016/j.bmc.2018.05.050 BindingDB Entry DOI: 10.7270/Q2V69N32
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50276061 (CHEMBL4127253) Show SMILES CC(=O)OC[C@H]1O[C@@H](Oc2c(oc3ccccc3c2=O)-c2cccs2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C27H26O12S/c1-13(28)33-12-19-22(34-14(2)29)25(35-15(3)30)26(36-16(4)31)27(38-19)39-24-21(32)17-8-5-6-9-18(17)37-23(24)20-10-7-11-40-20/h5-11,19,22,25-27H,12H2,1-4H3/t19-,22-,25+,26-,27+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.55E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Gujrat Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using butyrylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measured after 20 m...				Bioorg Med Chem 26: 3696-3706 (2018) Article DOI: 10.1016/j.bmc.2018.05.050 BindingDB Entry DOI: 10.7270/Q2V69N32
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50276059 (CHEMBL4126201) Show SMILES COc1ccc(cc1)-c1oc2ccccc2c(=O)c1O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r| Show InChI InChI=1S/C30H30O13/c1-15(31)37-14-23-26(38-16(2)32)28(39-17(3)33)29(40-18(4)34)30(42-23)43-27-24(35)21-8-6-7-9-22(21)41-25(27)19-10-12-20(36-5)13-11-19/h6-13,23,26,28-30H,14H2,1-5H3/t23-,26-,28+,29-,30+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Gujrat Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using butyrylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measured after 20 m...				Bioorg Med Chem 26: 3696-3706 (2018) Article DOI: 10.1016/j.bmc.2018.05.050 BindingDB Entry DOI: 10.7270/Q2V69N32
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50276062 (CHEMBL4129855) Show SMILES CC(=O)OC[C@H]1O[C@@H](Oc2c(oc3ccccc3c2=O)-c2ccc(F)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C29H27FO12/c1-14(31)36-13-22-25(37-15(2)32)27(38-16(3)33)28(39-17(4)34)29(41-22)42-26-23(35)20-7-5-6-8-21(20)40-24(26)18-9-11-19(30)12-10-18/h5-12,22,25,27-29H,13H2,1-4H3/t22-,25-,27+,28-,29+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.92E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Gujrat Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measured after 20 m...				Bioorg Med Chem 26: 3696-3706 (2018) Article DOI: 10.1016/j.bmc.2018.05.050 BindingDB Entry DOI: 10.7270/Q2V69N32
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50276070 (CHEMBL4127574) Show SMILES CC(=O)OC[C@H]1O[C@@H](Oc2c(oc3cc(C)ccc3c2=O)-c2ccc(Br)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C30H29BrO12/c1-14-6-11-21-22(12-14)41-25(19-7-9-20(31)10-8-19)27(24(21)36)43-30-29(40-18(5)35)28(39-17(4)34)26(38-16(3)33)23(42-30)13-37-15(2)32/h6-12,23,26,28-30H,13H2,1-5H3/t23-,26-,28+,29-,30+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Gujrat Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using butyrylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measured after 20 m...				Bioorg Med Chem 26: 3696-3706 (2018) Article DOI: 10.1016/j.bmc.2018.05.050 BindingDB Entry DOI: 10.7270/Q2V69N32
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50276043 (CHEMBL4128409) Show SMILES CC(=O)OC[C@H]1O[C@@H](Oc2c(oc3ccccc3c2=O)-c2ccccc2C(O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C30H28O14/c1-14(31)38-13-22-25(39-15(2)32)27(40-16(3)33)28(41-17(4)34)30(43-22)44-26-23(35)20-11-7-8-12-21(20)42-24(26)18-9-5-6-10-19(18)29(36)37/h5-12,22,25,27-28,30H,13H2,1-4H3,(H,36,37)/t22-,25-,27+,28-,30+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Gujrat Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measured after 20 m...				Bioorg Med Chem 26: 3696-3706 (2018) Article DOI: 10.1016/j.bmc.2018.05.050 BindingDB Entry DOI: 10.7270/Q2V69N32
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50276067 (CHEMBL4129776) Show SMILES CC(=O)OC[C@H]1O[C@@H](Oc2c(oc3ccccc3c2=O)-c2cccc3ccccc23)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C33H30O12/c1-17(34)39-16-26-29(40-18(2)35)31(41-19(3)36)32(42-20(4)37)33(44-26)45-30-27(38)24-13-7-8-15-25(24)43-28(30)23-14-9-11-21-10-5-6-12-22(21)23/h5-15,26,29,31-33H,16H2,1-4H3/t26-,29-,31+,32-,33+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.64E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Gujrat Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measured after 20 m...				Bioorg Med Chem 26: 3696-3706 (2018) Article DOI: 10.1016/j.bmc.2018.05.050 BindingDB Entry DOI: 10.7270/Q2V69N32
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50276066 (CHEMBL4128492) Show SMILES CC(=O)Nc1ccc(cc1)-c1oc2ccccc2c(=O)c1O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r| Show InChI InChI=1S/C31H31NO13/c1-15(33)32-21-12-10-20(11-13-21)26-28(25(38)22-8-6-7-9-23(22)43-26)45-31-30(42-19(5)37)29(41-18(4)36)27(40-17(3)35)24(44-31)14-39-16(2)34/h6-13,24,27,29-31H,14H2,1-5H3,(H,32,33)/t24-,27-,29+,30-,31+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.87E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Gujrat Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measured after 20 m...				Bioorg Med Chem 26: 3696-3706 (2018) Article DOI: 10.1016/j.bmc.2018.05.050 BindingDB Entry DOI: 10.7270/Q2V69N32
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50276066 (CHEMBL4128492) Show SMILES CC(=O)Nc1ccc(cc1)-c1oc2ccccc2c(=O)c1O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r| Show InChI InChI=1S/C31H31NO13/c1-15(33)32-21-12-10-20(11-13-21)26-28(25(38)22-8-6-7-9-23(22)43-26)45-31-30(42-19(5)37)29(41-18(4)36)27(40-17(3)35)24(44-31)14-39-16(2)34/h6-13,24,27,29-31H,14H2,1-5H3,(H,32,33)/t24-,27-,29+,30-,31+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.97E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Gujrat Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using butyrylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measured after 20 m...				Bioorg Med Chem 26: 3696-3706 (2018) Article DOI: 10.1016/j.bmc.2018.05.050 BindingDB Entry DOI: 10.7270/Q2V69N32
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50276060 (CHEMBL4128639) Show SMILES CC(=O)OC[C@H]1O[C@@H](Oc2c(oc3ccccc3c2=O)-c2ccccc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C29H28O12/c1-15(30)35-14-22-25(36-16(2)31)27(37-17(3)32)28(38-18(4)33)29(40-22)41-26-23(34)20-12-8-9-13-21(20)39-24(26)19-10-6-5-7-11-19/h5-13,22,25,27-29H,14H2,1-4H3/t22-,25-,27+,28-,29+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.59E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Gujrat Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using butyrylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measured after 20 m...				Bioorg Med Chem 26: 3696-3706 (2018) Article DOI: 10.1016/j.bmc.2018.05.050 BindingDB Entry DOI: 10.7270/Q2V69N32
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50276043 (CHEMBL4128409) Show SMILES CC(=O)OC[C@H]1O[C@@H](Oc2c(oc3ccccc3c2=O)-c2ccccc2C(O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C30H28O14/c1-14(31)38-13-22-25(39-15(2)32)27(40-16(3)33)28(41-17(4)34)30(43-22)44-26-23(35)20-11-7-8-12-21(20)42-24(26)18-9-5-6-10-19(18)29(36)37/h5-12,22,25,27-28,30H,13H2,1-4H3,(H,36,37)/t22-,25-,27+,28-,30+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.84E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Gujrat Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using butyrylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measured after 20 m...				Bioorg Med Chem 26: 3696-3706 (2018) Article DOI: 10.1016/j.bmc.2018.05.050 BindingDB Entry DOI: 10.7270/Q2V69N32
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50276062 (CHEMBL4129855) Show SMILES CC(=O)OC[C@H]1O[C@@H](Oc2c(oc3ccccc3c2=O)-c2ccc(F)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C29H27FO12/c1-14(31)36-13-22-25(37-15(2)32)27(38-16(3)33)28(39-17(4)34)29(41-22)42-26-23(35)20-7-5-6-8-21(20)40-24(26)18-9-11-19(30)12-10-18/h5-12,22,25,27-29H,13H2,1-4H3/t22-,25-,27+,28-,29+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Gujrat Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using butyrylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measured after 20 m...				Bioorg Med Chem 26: 3696-3706 (2018) Article DOI: 10.1016/j.bmc.2018.05.050 BindingDB Entry DOI: 10.7270/Q2V69N32
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50276060 (CHEMBL4128639) Show SMILES CC(=O)OC[C@H]1O[C@@H](Oc2c(oc3ccccc3c2=O)-c2ccccc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C29H28O12/c1-15(30)35-14-22-25(36-16(2)31)27(37-17(3)32)28(38-18(4)33)29(40-22)41-26-23(34)20-12-8-9-13-21(20)39-24(26)19-10-6-5-7-11-19/h5-13,22,25,27-29H,14H2,1-4H3/t22-,25-,27+,28-,29+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.03E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Gujrat Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measured after 20 m...				Bioorg Med Chem 26: 3696-3706 (2018) Article DOI: 10.1016/j.bmc.2018.05.050 BindingDB Entry DOI: 10.7270/Q2V69N32
					More data for this Ligand-Target Pair