Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with all data for entry = 50001314   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Acetylcholinesterase (Electrophorus electricus (Electric eel))	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 (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 (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 (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 (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