Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with all data for entry = 50008919   

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))	BDBM50523570 (CHEMBL4436182) Show SMILES [O-][N+](=O)c1cccc(\C=C2/CNCC3(C(C(Cc4c[nH]c5ccccc45)NC33C4N=c5ccccc5=NC4c4ccccc34)c3cccc(c3)[N+]([O-])=O)C2=O)c1 |c:39,t:32| Show InChI InChI=1S/C44H35N7O5/c52-42-29(19-26-9-7-11-30(20-26)50(53)54)23-45-25-43(42)39(27-10-8-12-31(21-27)51(55)56)38(22-28-24-46-35-16-4-2-13-32(28)35)49-44(43)34-15-3-1-14-33(34)40-41(44)48-37-18-6-5-17-36(37)47-40/h1-21,24,38-41,45-46,49H,22-23,25H2/b29-19+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition and measured afte...				Bioorg Med Chem 27: 2621-2628 (2019) Article DOI: 10.1016/j.bmc.2019.03.058 BindingDB Entry DOI: 10.7270/Q26W9FGH
					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
King Saud University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition and measured afte...				Bioorg Med Chem 27: 2621-2628 (2019) Article DOI: 10.1016/j.bmc.2019.03.058 BindingDB Entry DOI: 10.7270/Q26W9FGH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50523571 (CHEMBL4522515) Show SMILES Cc1ccc(\C=C2/CNCC3(C(C(Cc4c[nH]c5ccccc45)NC33C4N=c5ccccc5=NC4c4ccccc34)c3ccc(C)cc3)C2=O)cc1 |c:36,t:29| Show InChI InChI=1S/C46H41N5O/c1-28-15-19-30(20-16-28)23-33-25-47-27-45(44(33)52)41(31-21-17-29(2)18-22-31)40(24-32-26-48-37-12-6-4-9-34(32)37)51-46(45)36-11-5-3-10-35(36)42-43(46)50-39-14-8-7-13-38(39)49-42/h3-23,26,40-43,47-48,51H,24-25,27H2,1-2H3/b33-23+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition and measured afte...				Bioorg Med Chem 27: 2621-2628 (2019) Article DOI: 10.1016/j.bmc.2019.03.058 BindingDB Entry DOI: 10.7270/Q26W9FGH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50523579 (CHEMBL4473000) Show SMILES Cc1ccccc1\C=C1/CNCC2(C(C(Cc3c[nH]c4ccccc34)NC22C3N=c4ccccc4=NC3c3ccccc23)c2ccccc2C)C1=O |c:39,t:32| Show InChI InChI=1S/C46H41N5O/c1-28-13-3-5-15-30(28)23-32-25-47-27-45(44(32)52)41(33-16-6-4-14-29(33)2)40(24-31-26-48-37-20-10-8-17-34(31)37)51-46(45)36-19-9-7-18-35(36)42-43(46)50-39-22-12-11-21-38(39)49-42/h3-23,26,40-43,47-48,51H,24-25,27H2,1-2H3/b32-23+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition and measured afte...				Bioorg Med Chem 27: 2621-2628 (2019) Article DOI: 10.1016/j.bmc.2019.03.058 BindingDB Entry DOI: 10.7270/Q26W9FGH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50523576 (CHEMBL4459290) Show SMILES Cc1cccc(\C=C2/CNCC3(C(C(Cc4c[nH]c5ccccc45)NC33C4N=c5ccccc5=NC4c4ccccc34)c3cccc(C)c3)C2=O)c1 |c:37,t:30| Show InChI InChI=1S/C46H41N5O/c1-28-11-9-13-30(21-28)23-33-25-47-27-45(44(33)52)41(31-14-10-12-29(2)22-31)40(24-32-26-48-37-18-6-4-15-34(32)37)51-46(45)36-17-5-3-16-35(36)42-43(46)50-39-20-8-7-19-38(39)49-42/h3-23,26,40-43,47-48,51H,24-25,27H2,1-2H3/b33-23+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.84E+3	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition and measured afte...				Bioorg Med Chem 27: 2621-2628 (2019) Article DOI: 10.1016/j.bmc.2019.03.058 BindingDB Entry DOI: 10.7270/Q26W9FGH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50523577 (CHEMBL4452994) Show SMILES COc1ccc(\C=C2/CNCC3(C(C(Cc4c[nH]c5ccccc45)NC33C4N=c5ccccc5=NC4c4ccccc34)c3ccc(OC)cc3)C2=O)cc1 |c:37,t:30| Show InChI InChI=1S/C46H41N5O3/c1-53-32-19-15-28(16-20-32)23-31-25-47-27-45(44(31)52)41(29-17-21-33(54-2)22-18-29)40(24-30-26-48-37-12-6-4-9-34(30)37)51-46(45)36-11-5-3-10-35(36)42-43(46)50-39-14-8-7-13-38(39)49-42/h3-23,26,40-43,47-48,51H,24-25,27H2,1-2H3/b31-23+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition and measured afte...				Bioorg Med Chem 27: 2621-2628 (2019) Article DOI: 10.1016/j.bmc.2019.03.058 BindingDB Entry DOI: 10.7270/Q26W9FGH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50523572 (CHEMBL4549715) Show SMILES O=C1\C(CNCC11C(C(Cc2c[nH]c3ccccc23)NC11C2N=c3ccccc3=NC2c2ccccc12)c1ccccc1)=C\c1ccccc1 |c:33,t:26| Show InChI InChI=1S/C44H37N5O/c50-42-31(23-28-13-3-1-4-14-28)25-45-27-43(42)39(29-15-5-2-6-16-29)38(24-30-26-46-35-20-10-8-17-32(30)35)49-44(43)34-19-9-7-18-33(34)40-41(44)48-37-22-12-11-21-36(37)47-40/h1-23,26,38-41,45-46,49H,24-25,27H2/b31-23+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition and measured afte...				Bioorg Med Chem 27: 2621-2628 (2019) Article DOI: 10.1016/j.bmc.2019.03.058 BindingDB Entry DOI: 10.7270/Q26W9FGH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50523574 (CHEMBL4562781) Show SMILES Clc1ccc(\C=C2/CNCC3(C(C(Cc4c[nH]c5ccccc45)NC33C4N=c5ccccc5=NC4c4ccccc34)c3ccc(Cl)cc3Cl)C2=O)c(Cl)c1 |c:36,t:29| Show InChI InChI=1S/C44H33Cl4N5O/c45-27-14-13-24(33(47)19-27)17-26-21-49-23-43(42(26)54)39(31-16-15-28(46)20-34(31)48)38(18-25-22-50-35-10-4-2-7-29(25)35)53-44(43)32-9-3-1-8-30(32)40-41(44)52-37-12-6-5-11-36(37)51-40/h1-17,19-20,22,38-41,49-50,53H,18,21,23H2/b26-17+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition and measured afte...				Bioorg Med Chem 27: 2621-2628 (2019) Article DOI: 10.1016/j.bmc.2019.03.058 BindingDB Entry DOI: 10.7270/Q26W9FGH
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50523570 (CHEMBL4436182) Show SMILES [O-][N+](=O)c1cccc(\C=C2/CNCC3(C(C(Cc4c[nH]c5ccccc45)NC33C4N=c5ccccc5=NC4c4ccccc34)c3cccc(c3)[N+]([O-])=O)C2=O)c1 |c:39,t:32| Show InChI InChI=1S/C44H35N7O5/c52-42-29(19-26-9-7-11-30(20-26)50(53)54)23-45-25-43(42)39(27-10-8-12-31(21-27)51(55)56)38(22-28-24-46-35-16-4-2-13-32(28)35)49-44(43)34-15-3-1-14-33(34)40-41(44)48-37-18-6-5-17-36(37)47-40/h1-21,24,38-41,45-46,49H,22-23,25H2/b29-19+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butyrylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition and measured a...				Bioorg Med Chem 27: 2621-2628 (2019) Article DOI: 10.1016/j.bmc.2019.03.058 BindingDB Entry DOI: 10.7270/Q26W9FGH
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50523571 (CHEMBL4522515) Show SMILES Cc1ccc(\C=C2/CNCC3(C(C(Cc4c[nH]c5ccccc45)NC33C4N=c5ccccc5=NC4c4ccccc34)c3ccc(C)cc3)C2=O)cc1 |c:36,t:29| Show InChI InChI=1S/C46H41N5O/c1-28-15-19-30(20-16-28)23-33-25-47-27-45(44(33)52)41(31-21-17-29(2)18-22-31)40(24-32-26-48-37-12-6-4-9-34(32)37)51-46(45)36-11-5-3-10-35(36)42-43(46)50-39-14-8-7-13-38(39)49-42/h3-23,26,40-43,47-48,51H,24-25,27H2,1-2H3/b33-23+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butyrylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition and measured a...				Bioorg Med Chem 27: 2621-2628 (2019) Article DOI: 10.1016/j.bmc.2019.03.058 BindingDB Entry DOI: 10.7270/Q26W9FGH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50523575 (CHEMBL4452219) Show SMILES Clc1ccc(\C=C2/CNCC3(C(C(Cc4c[nH]c5ccccc45)NC33C4N=c5ccccc5=NC4c4ccccc34)c3ccc(Cl)cc3)C2=O)cc1 |c:36,t:29| Show InChI InChI=1S/C44H35Cl2N5O/c45-30-17-13-26(14-18-30)21-29-23-47-25-43(42(29)52)39(27-15-19-31(46)20-16-27)38(22-28-24-48-35-10-4-2-7-32(28)35)51-44(43)34-9-3-1-8-33(34)40-41(44)50-37-12-6-5-11-36(37)49-40/h1-21,24,38-41,47-48,51H,22-23,25H2/b29-21+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition and measured afte...				Bioorg Med Chem 27: 2621-2628 (2019) Article DOI: 10.1016/j.bmc.2019.03.058 BindingDB Entry DOI: 10.7270/Q26W9FGH
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50523572 (CHEMBL4549715) Show SMILES O=C1\C(CNCC11C(C(Cc2c[nH]c3ccccc23)NC11C2N=c3ccccc3=NC2c2ccccc12)c1ccccc1)=C\c1ccccc1 |c:33,t:26| Show InChI InChI=1S/C44H37N5O/c50-42-31(23-28-13-3-1-4-14-28)25-45-27-43(42)39(29-15-5-2-6-16-29)38(24-30-26-46-35-20-10-8-17-32(30)35)49-44(43)34-19-9-7-18-33(34)40-41(44)48-37-22-12-11-21-36(37)47-40/h1-23,26,38-41,45-46,49H,24-25,27H2/b31-23+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.42E+4	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butyrylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition and measured a...				Bioorg Med Chem 27: 2621-2628 (2019) Article DOI: 10.1016/j.bmc.2019.03.058 BindingDB Entry DOI: 10.7270/Q26W9FGH
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50523579 (CHEMBL4473000) Show SMILES Cc1ccccc1\C=C1/CNCC2(C(C(Cc3c[nH]c4ccccc34)NC22C3N=c4ccccc4=NC3c3ccccc23)c2ccccc2C)C1=O |c:39,t:32| Show InChI InChI=1S/C46H41N5O/c1-28-13-3-5-15-30(28)23-32-25-47-27-45(44(32)52)41(33-16-6-4-14-29(33)2)40(24-31-26-48-37-20-10-8-17-34(31)37)51-46(45)36-19-9-7-18-35(36)42-43(46)50-39-22-12-11-21-38(39)49-42/h3-23,26,40-43,47-48,51H,24-25,27H2,1-2H3/b32-23+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butyrylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition and measured a...				Bioorg Med Chem 27: 2621-2628 (2019) Article DOI: 10.1016/j.bmc.2019.03.058 BindingDB Entry DOI: 10.7270/Q26W9FGH
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50523576 (CHEMBL4459290) Show SMILES Cc1cccc(\C=C2/CNCC3(C(C(Cc4c[nH]c5ccccc45)NC33C4N=c5ccccc5=NC4c4ccccc34)c3cccc(C)c3)C2=O)c1 |c:37,t:30| Show InChI InChI=1S/C46H41N5O/c1-28-11-9-13-30(21-28)23-33-25-47-27-45(44(33)52)41(31-14-10-12-29(2)22-31)40(24-32-26-48-37-18-6-4-15-34(32)37)51-46(45)36-17-5-3-16-35(36)42-43(46)50-39-20-8-7-19-38(39)49-42/h3-23,26,40-43,47-48,51H,24-25,27H2,1-2H3/b33-23+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.52E+4	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butyrylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition and measured a...				Bioorg Med Chem 27: 2621-2628 (2019) Article DOI: 10.1016/j.bmc.2019.03.058 BindingDB Entry DOI: 10.7270/Q26W9FGH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50523578 (CHEMBL4464716) Show SMILES Brc1ccc(\C=C2/CNCC3(C(C(Cc4c[nH]c5ccccc45)NC33C4N=c5ccccc5=NC4c4ccccc34)c3ccc(Br)cc3)C2=O)cc1 |c:36,t:29| Show InChI InChI=1S/C44H35Br2N5O/c45-30-17-13-26(14-18-30)21-29-23-47-25-43(42(29)52)39(27-15-19-31(46)20-16-27)38(22-28-24-48-35-10-4-2-7-32(28)35)51-44(43)34-9-3-1-8-33(34)40-41(44)50-37-12-6-5-11-36(37)49-40/h1-21,24,38-41,47-48,51H,22-23,25H2/b29-21+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.53E+4	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition and measured afte...				Bioorg Med Chem 27: 2621-2628 (2019) Article DOI: 10.1016/j.bmc.2019.03.058 BindingDB Entry DOI: 10.7270/Q26W9FGH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50523573 (CHEMBL4583817) Show SMILES Clc1ccccc1\C=C1/CNCC2(C(C(Cc3c[nH]c4ccccc34)NC22C3N=c4ccccc4=NC3c3ccccc23)c2ccccc2Cl)C1=O |c:39,t:32| Show InChI InChI=1S/C44H35Cl2N5O/c45-33-16-6-1-11-26(33)21-28-23-47-25-43(42(28)52)39(31-14-3-7-17-34(31)46)38(22-27-24-48-35-18-8-4-12-29(27)35)51-44(43)32-15-5-2-13-30(32)40-41(44)50-37-20-10-9-19-36(37)49-40/h1-21,24,38-41,47-48,51H,22-23,25H2/b28-21+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.64E+4	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition and measured afte...				Bioorg Med Chem 27: 2621-2628 (2019) Article DOI: 10.1016/j.bmc.2019.03.058 BindingDB Entry DOI: 10.7270/Q26W9FGH
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50523574 (CHEMBL4562781) Show SMILES Clc1ccc(\C=C2/CNCC3(C(C(Cc4c[nH]c5ccccc45)NC33C4N=c5ccccc5=NC4c4ccccc34)c3ccc(Cl)cc3Cl)C2=O)c(Cl)c1 |c:36,t:29| Show InChI InChI=1S/C44H33Cl4N5O/c45-27-14-13-24(33(47)19-27)17-26-21-49-23-43(42(26)54)39(31-16-15-28(46)20-34(31)48)38(18-25-22-50-35-10-4-2-7-29(25)35)53-44(43)32-9-3-1-8-30(32)40-41(44)52-37-12-6-5-11-36(37)51-40/h1-17,19-20,22,38-41,49-50,53H,18,21,23H2/b26-17+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.76E+4	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butyrylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition and measured a...				Bioorg Med Chem 27: 2621-2628 (2019) Article DOI: 10.1016/j.bmc.2019.03.058 BindingDB Entry DOI: 10.7270/Q26W9FGH
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50523575 (CHEMBL4452219) Show SMILES Clc1ccc(\C=C2/CNCC3(C(C(Cc4c[nH]c5ccccc45)NC33C4N=c5ccccc5=NC4c4ccccc34)c3ccc(Cl)cc3)C2=O)cc1 |c:36,t:29| Show InChI InChI=1S/C44H35Cl2N5O/c45-30-17-13-26(14-18-30)21-29-23-47-25-43(42(29)52)39(27-15-19-31(46)20-16-27)38(22-28-24-48-35-10-4-2-7-32(28)35)51-44(43)34-9-3-1-8-33(34)40-41(44)50-37-12-6-5-11-36(37)49-40/h1-21,24,38-41,47-48,51H,22-23,25H2/b29-21+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.88E+4	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butyrylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition and measured a...				Bioorg Med Chem 27: 2621-2628 (2019) Article DOI: 10.1016/j.bmc.2019.03.058 BindingDB Entry DOI: 10.7270/Q26W9FGH
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.93E+4	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butyrylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition and measured a...				Bioorg Med Chem 27: 2621-2628 (2019) Article DOI: 10.1016/j.bmc.2019.03.058 BindingDB Entry DOI: 10.7270/Q26W9FGH
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50523578 (CHEMBL4464716) Show SMILES Brc1ccc(\C=C2/CNCC3(C(C(Cc4c[nH]c5ccccc45)NC33C4N=c5ccccc5=NC4c4ccccc34)c3ccc(Br)cc3)C2=O)cc1 |c:36,t:29| Show InChI InChI=1S/C44H35Br2N5O/c45-30-17-13-26(14-18-30)21-29-23-47-25-43(42(29)52)39(27-15-19-31(46)20-16-27)38(22-28-24-48-35-10-4-2-7-32(28)35)51-44(43)34-9-3-1-8-33(34)40-41(44)50-37-12-6-5-11-36(37)49-40/h1-21,24,38-41,47-48,51H,22-23,25H2/b29-21+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butyrylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition and measured a...				Bioorg Med Chem 27: 2621-2628 (2019) Article DOI: 10.1016/j.bmc.2019.03.058 BindingDB Entry DOI: 10.7270/Q26W9FGH
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50523577 (CHEMBL4452994) Show SMILES COc1ccc(\C=C2/CNCC3(C(C(Cc4c[nH]c5ccccc45)NC33C4N=c5ccccc5=NC4c4ccccc34)c3ccc(OC)cc3)C2=O)cc1 |c:37,t:30| Show InChI InChI=1S/C46H41N5O3/c1-53-32-19-15-28(16-20-32)23-31-25-47-27-45(44(31)52)41(29-17-21-33(54-2)22-18-29)40(24-30-26-48-37-12-6-4-9-34(30)37)51-46(45)36-11-5-3-10-35(36)42-43(46)50-39-14-8-7-13-38(39)49-42/h3-23,26,40-43,47-48,51H,24-25,27H2,1-2H3/b31-23+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butyrylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition and measured a...				Bioorg Med Chem 27: 2621-2628 (2019) Article DOI: 10.1016/j.bmc.2019.03.058 BindingDB Entry DOI: 10.7270/Q26W9FGH
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50523573 (CHEMBL4583817) Show SMILES Clc1ccccc1\C=C1/CNCC2(C(C(Cc3c[nH]c4ccccc34)NC22C3N=c4ccccc4=NC3c3ccccc23)c2ccccc2Cl)C1=O |c:39,t:32| Show InChI InChI=1S/C44H35Cl2N5O/c45-33-16-6-1-11-26(33)21-28-23-47-25-43(42(28)52)39(31-14-3-7-17-34(31)46)38(22-27-24-48-35-18-8-4-12-29(27)35)51-44(43)32-15-5-2-13-30(32)40-41(44)50-37-20-10-9-19-36(37)49-40/h1-21,24,38-41,47-48,51H,22-23,25H2/b28-21+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butyrylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition and measured a...				Bioorg Med Chem 27: 2621-2628 (2019) Article DOI: 10.1016/j.bmc.2019.03.058 BindingDB Entry DOI: 10.7270/Q26W9FGH
					More data for this Ligand-Target Pair