Compile Data Set for Download or QSAR

Found 23 hits Enz. Inhib. hit(s) with all data for entry = 50042949   

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))	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
Cholinesterase (Equus caballus (Horse))	BDBM50433617 (CHEMBL2380677) Show SMILES Fc1ccc(\C=C2/CN(C\C(=C/c3ccc(F)cc3)C2=O)C(=O)[C@H]2C[C@H]3CCCN3[C@]22C(=O)Nc3cc(Cl)ccc23)cc1 |r| Show InChI InChI=1S/C34H28ClF2N3O3/c35-24-7-12-28-30(16-24)38-33(43)34(28)29(17-27-2-1-13-40(27)34)32(42)39-18-22(14-20-3-8-25(36)9-4-20)31(41)23(19-39)15-21-5-10-26(37)11-6-21/h3-12,14-16,27,29H,1-2,13,17-19H2,(H,38,43)/b22-14+,23-15+/t27-,29-,34+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.64E+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
Cholinesterase (Equus caballus (Horse))	BDBM50433624 (CHEMBL2380670) Show SMILES COc1ccccc1\C=C1/CN(C\C(=C/c2ccccc2OC)C1=O)C(=O)[C@H]1C[C@H]2CCCN2[C@]11C(=O)Nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C36H34ClN3O5/c1-44-31-11-5-3-8-22(31)16-24-20-39(21-25(33(24)41)17-23-9-4-6-12-32(23)45-2)34(42)29-19-27-10-7-15-40(27)36(29)28-14-13-26(37)18-30(28)38-35(36)43/h3-6,8-9,11-14,16-18,27,29H,7,10,15,19-21H2,1-2H3,(H,38,43)/b24-16+,25-17+/t27-,29-,36+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.82E+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
Cholinesterase (Equus caballus (Horse))	BDBM50433616 (CHEMBL2380667) Show SMILES Clc1ccc2c(NC(=O)[C@@]22[C@H](C[C@H]3CCCN23)C(=O)N2C\C(=C/c3cccc4ccccc34)C(=O)\C(C2)=C\c2cccc3ccccc23)c1 |r| Show InChI InChI=1S/C42H34ClN3O3/c43-32-17-18-36-38(22-32)44-41(49)42(36)37(23-33-14-7-19-46(33)42)40(48)45-24-30(20-28-12-5-10-26-8-1-3-15-34(26)28)39(47)31(25-45)21-29-13-6-11-27-9-2-4-16-35(27)29/h1-6,8-13,15-18,20-22,33,37H,7,14,19,23-25H2,(H,44,49)/b30-20+,31-21+/t33-,37-,42+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.65E+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 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
Cholinesterase (Equus caballus (Horse))	BDBM50433625 (CHEMBL2380669) Show SMILES Cc1ccccc1\C=C1/CN(C\C(=C/c2ccccc2C)C1=O)C(=O)[C@H]1C[C@H]2CCCN2[C@]11C(=O)Nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C36H34ClN3O3/c1-22-8-3-5-10-24(22)16-26-20-39(21-27(33(26)41)17-25-11-6-4-9-23(25)2)34(42)31-19-29-12-7-15-40(29)36(31)30-14-13-28(37)18-32(30)38-35(36)43/h3-6,8-11,13-14,16-18,29,31H,7,12,15,19-21H2,1-2H3,(H,38,43)/b26-16+,27-17+/t29-,31-,36+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.51E+4	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
Cholinesterase (Equus caballus (Horse))	BDBM50433626 (CHEMBL2380668) Show SMILES Clc1ccc2c(NC(=O)[C@@]22[C@H](C[C@H]3CCCN23)C(=O)N2C\C(=C/c3ccccc3)C(=O)\C(C2)=C\c2ccccc2)c1 |r| Show InChI InChI=1S/C34H30ClN3O3/c35-26-13-14-28-30(18-26)36-33(41)34(28)29(19-27-12-7-15-38(27)34)32(40)37-20-24(16-22-8-3-1-4-9-22)31(39)25(21-37)17-23-10-5-2-6-11-23/h1-6,8-11,13-14,16-18,27,29H,7,12,15,19-21H2,(H,36,41)/b24-16+,25-17+/t27-,29-,34+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.54E+4	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
Cholinesterase (Equus caballus (Horse))	BDBM50433621 (CHEMBL2380673) Show SMILES [O-][N+](=O)c1cccc(\C=C2/CN(C\C(=C/c3cccc(c3)[N+]([O-])=O)C2=O)C(=O)[C@H]2C[C@H]3CCCN3[C@]22C(=O)Nc3cc(Cl)ccc23)c1 |r| Show InChI InChI=1S/C34H28ClN5O7/c35-24-9-10-28-30(16-24)36-33(43)34(28)29(17-25-8-3-11-38(25)34)32(42)37-18-22(12-20-4-1-6-26(14-20)39(44)45)31(41)23(19-37)13-21-5-2-7-27(15-21)40(46)47/h1-2,4-7,9-10,12-16,25,29H,3,8,11,17-19H2,(H,36,43)/b22-12+,23-13+/t25-,29-,34+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.72E+4	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
Cholinesterase (Equus caballus (Horse))	BDBM50433623 (CHEMBL2380671) Show SMILES Clc1ccc2c(NC(=O)[C@@]22[C@H](C[C@H]3CCCN23)C(=O)N2C\C(=C/c3ccccc3Cl)C(=O)\C(C2)=C\c2ccccc2Cl)c1 |r| Show InChI InChI=1S/C34H28Cl3N3O3/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	1.74E+4	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
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
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
Cholinesterase (Equus caballus (Horse))	BDBM50433620 (CHEMBL2380674) Show SMILES Clc1ccc2c(NC(=O)[C@@]22[C@H](C[C@H]3CCCN23)C(=O)N2C\C(=C/c3ccc(Cl)cc3Cl)C(=O)\C(C2)=C\c2ccc(Cl)cc2Cl)c1 |r| Show InChI InChI=1S/C34H26Cl5N3O3/c35-22-5-3-18(28(38)12-22)10-20-16-41(17-21(31(20)43)11-19-4-6-23(36)13-29(19)39)32(44)27-15-25-2-1-9-42(25)34(27)26-8-7-24(37)14-30(26)40-33(34)45/h3-8,10-14,25,27H,1-2,9,15-17H2,(H,40,45)/b20-10+,21-11+/t25-,27-,34+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.01E+4	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
Cholinesterase (Equus caballus (Horse))	BDBM50430667 (CHEMBL156016) Show SMILES C=CC(=O)N1C\C(=C/c2ccccc2)C(=O)\C(C1)=C\c1ccccc1 Show InChI InChI=1S/C22H19NO2/c1-2-21(24)23-15-19(13-17-9-5-3-6-10-17)22(25)20(16-23)14-18-11-7-4-8-12-18/h2-14H,1,15-16H2/b19-13+,20-14+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.21E+4	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
Cholinesterase (Equus caballus (Horse))	BDBM50433619 (CHEMBL2380675) Show SMILES Cc1ccc(\C=C2/CN(C\C(=C/c3ccc(C)cc3)C2=O)C(=O)[C@H]2C[C@H]3CCCN3[C@]22C(=O)Nc3cc(Cl)ccc23)cc1 |r| Show InChI InChI=1S/C36H34ClN3O3/c1-22-5-9-24(10-6-22)16-26-20-39(21-27(33(26)41)17-25-11-7-23(2)8-12-25)34(42)31-19-29-4-3-15-40(29)36(31)30-14-13-28(37)18-32(30)38-35(36)43/h5-14,16-18,29,31H,3-4,15,19-21H2,1-2H3,(H,38,43)/b26-16+,27-17+/t29-,31-,36+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.22E+4	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
Cholinesterase (Equus caballus (Horse))	BDBM50430657 (CHEMBL2332547) Show SMILES C=CC(=O)N1C\C(=C/c2cccc3ccccc23)C(=O)\C(C1)=C\c1cccc2ccccc12 Show InChI InChI=1S/C30H23NO2/c1-2-29(32)31-19-25(17-23-13-7-11-21-9-3-5-15-27(21)23)30(33)26(20-31)18-24-14-8-12-22-10-4-6-16-28(22)24/h2-18H,1,19-20H2/b25-17+,26-18+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.31E+4	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
Cholinesterase (Equus caballus (Horse))	BDBM50433618 (CHEMBL2380676) Show SMILES Clc1ccc(\C=C2/CN(C\C(=C/c3ccc(Cl)cc3)C2=O)C(=O)[C@H]2C[C@H]3CCCN3[C@]22C(=O)Nc3cc(Cl)ccc23)cc1 |r| Show InChI InChI=1S/C34H28Cl3N3O3/c35-24-7-3-20(4-8-24)14-22-18-39(19-23(31(22)41)15-21-5-9-25(36)10-6-21)32(42)29-17-27-2-1-13-40(27)34(29)28-12-11-26(37)16-30(28)38-33(34)43/h3-12,14-16,27,29H,1-2,13,17-19H2,(H,38,43)/b22-14+,23-15+/t27-,29-,34+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.82E+4	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
Cholinesterase (Equus caballus (Horse))	BDBM50430665 (CHEMBL2332539) Show SMILES COc1ccccc1\C=C1/CN(C\C(=C/c2ccccc2OC)C1=O)C(=O)C=C Show InChI InChI=1S/C24H23NO4/c1-4-23(26)25-15-19(13-17-9-5-7-11-21(17)28-2)24(27)20(16-25)14-18-10-6-8-12-22(18)29-3/h4-14H,1,15-16H2,2-3H3/b19-13+,20-14+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.89E+4	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
Cholinesterase (Equus caballus (Horse))	BDBM50430661 (CHEMBL2332546) Show SMILES Clc1ccc(\C=C2/CN(C\C(=C/c3ccc(Cl)cc3Cl)C2=O)C(=O)C=C)c(Cl)c1 Show InChI InChI=1S/C22H15Cl4NO2/c1-2-21(28)27-11-15(7-13-3-5-17(23)9-19(13)25)22(29)16(12-27)8-14-4-6-18(24)10-20(14)26/h2-10H,1,11-12H2/b15-7+,16-8+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.94E+4	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
Cholinesterase (Equus caballus (Horse))	BDBM50430666 (CHEMBL2332538) Show SMILES Cc1ccccc1\C=C1/CN(C\C(=C/c2ccccc2C)C1=O)C(=O)C=C Show InChI InChI=1S/C24H23NO2/c1-4-23(26)25-15-21(13-19-11-7-5-9-17(19)2)24(27)22(16-25)14-20-12-8-6-10-18(20)3/h4-14H,1,15-16H2,2-3H3/b21-13+,22-14+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	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
Cholinesterase (Equus caballus (Horse))	BDBM50430658 (CHEMBL350032) Show SMILES Fc1ccc(\C=C2/CN(C\C(=C/c3ccc(F)cc3)C2=O)C(=O)C=C)cc1 Show InChI InChI=1S/C22H17F2NO2/c1-2-21(26)25-13-17(11-15-3-7-19(23)8-4-15)22(27)18(14-25)12-16-5-9-20(24)10-6-16/h2-12H,1,13-14H2/b17-11+,18-12+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
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
Cholinesterase (Equus caballus (Horse))	BDBM50430660 (CHEMBL454594) Show SMILES Cc1ccc(\C=C2/CN(C\C(=C/c3ccc(C)cc3)C2=O)C(=O)C=C)cc1 Show InChI InChI=1S/C24H23NO2/c1-4-23(26)25-15-21(13-19-9-5-17(2)6-10-19)24(27)22(16-25)14-20-11-7-18(3)8-12-20/h4-14H,1,15-16H2,2-3H3/b21-13+,22-14+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.51E+4	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
Cholinesterase (Equus caballus (Horse))	BDBM50430664 (CHEMBL2332535) Show SMILES Clc1ccccc1\C=C1/CN(C\C(=C/c2ccccc2Cl)C1=O)C(=O)C=C Show InChI InChI=1S/C22H17Cl2NO2/c1-2-21(26)25-13-17(11-15-7-3-5-9-19(15)23)22(27)18(14-25)12-16-8-4-6-10-20(16)24/h2-12H,1,13-14H2/b17-11+,18-12+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.66E+4	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
Cholinesterase (Equus caballus (Horse))	BDBM50430659 (CHEMBL152675) Show SMILES Clc1ccc(\C=C2/CN(C\C(=C/c3ccc(Cl)cc3)C2=O)C(=O)C=C)cc1 Show InChI InChI=1S/C22H17Cl2NO2/c1-2-21(26)25-13-17(11-15-3-7-19(23)8-4-15)22(27)18(14-25)12-16-5-9-20(24)10-6-16/h2-12H,1,13-14H2/b17-11+,18-12+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.82E+4	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
Cholinesterase (Equus caballus (Horse))	BDBM50430662 (CHEMBL2332537) Show SMILES [O-][N+](=O)c1cccc(\C=C2/CN(C\C(=C/c3cccc(c3)[N+]([O-])=O)C2=O)C(=O)C=C)c1 Show InChI InChI=1S/C22H17N3O6/c1-2-21(26)23-13-17(9-15-5-3-7-19(11-15)24(28)29)22(27)18(14-23)10-16-6-4-8-20(12-16)25(30)31/h2-12H,1,13-14H2/b17-9+,18-10+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.12E+4	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
Cholinesterase (Equus caballus (Horse))	BDBM50430663 (CHEMBL2332536) Show SMILES Fc1ccccc1\C=C1/CN(C\C(=C/c2ccccc2F)C1=O)C(=O)C=C Show InChI InChI=1S/C22H17F2NO2/c1-2-21(26)25-13-17(11-15-7-3-5-9-19(15)23)22(27)18(14-25)12-16-8-4-6-10-20(16)24/h2-12H,1,13-14H2/b17-11+,18-12+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40E+4	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