Compile Data Set for Download or QSAR

Found 68 hits with Last Name = 'bing' and Initial = 'cs'   

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))	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 (Homo sapiens (Human))	BDBM50430681 (CHEMBL2332979) Show SMILES Clc1ccc(\C=C2/CN(C\C(=C/c3ccc(Cl)cc3)C2=O)C(=O)C[C@H]2C[C@H]3CCCN3[C@]22C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C35H31Cl2N3O3/c36-27-11-7-22(8-12-27)16-24-20-39(21-25(33(24)42)17-23-9-13-28(37)14-10-23)32(41)19-26-18-29-4-3-15-40(29)35(26)30-5-1-2-6-31(30)38-34(35)43/h1-2,5-14,16-17,26,29H,3-4,15,18-21H2,(H,38,43)/b24-16+,25-17+/t26-,29-,35-/m1/s1	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	3.36E+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
Cholinesterase (Equus caballus (Horse))	BDBM50430652 (CHEMBL2332975) Show SMILES Fc1ccccc1\C=C1/CN(C\C(=C/c2ccccc2F)C1=O)C(=O)C[C@H]1C[C@H]2CCCN2[C@]11C(=O)Nc2ccccc12 |r| Show InChI InChI=1S/C35H31F2N3O3/c36-29-12-4-1-8-22(29)16-24-20-39(21-25(33(24)42)17-23-9-2-5-13-30(23)37)32(41)19-26-18-27-10-7-15-40(27)35(26)28-11-3-6-14-31(28)38-34(35)43/h1-6,8-9,11-14,16-17,26-27H,7,10,15,18-21H2,(H,38,43)/b24-16+,25-17+/t26-,27-,35-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+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 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
Cholinesterase (Equus caballus (Horse))	BDBM50430680 (CHEMBL2332980) Show SMILES Fc1ccc(\C=C2/CN(C\C(=C/c3ccc(F)cc3)C2=O)C(=O)C[C@H]2C[C@H]3CCCN3[C@]22C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C35H31F2N3O3/c36-27-11-7-22(8-12-27)16-24-20-39(21-25(33(24)42)17-23-9-13-28(37)14-10-23)32(41)19-26-18-29-4-3-15-40(29)35(26)30-5-1-2-6-31(30)38-34(35)43/h1-2,5-14,16-17,26,29H,3-4,15,18-21H2,(H,38,43)/b24-16+,25-17+/t26-,29-,35-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.99E+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 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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50430683 (CHEMBL2332977) Show SMILES Clc1ccc(\C=C2/CN(C\C(=C/c3ccc(Cl)cc3Cl)C2=O)C(=O)C[C@H]2C[C@H]3CCCN3[C@]22C(=O)Nc3ccccc23)c(Cl)c1 |r| Show InChI InChI=1S/C35H29Cl4N3O3/c36-25-9-7-20(29(38)16-25)12-22-18-41(19-23(33(22)44)13-21-8-10-26(37)17-30(21)39)32(43)15-24-14-27-4-3-11-42(27)35(24)28-5-1-2-6-31(28)40-34(35)45/h1-2,5-10,12-13,16-17,24,27H,3-4,11,14-15,18-19H2,(H,40,45)/b22-12+,23-13+/t24-,27-,35-/m1/s1	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	4.11E+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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50430651 (CHEMBL2332976) Show SMILES [O-][N+](=O)c1cccc(\C=C2/CN(C\C(=C/c3cccc(c3)[N+]([O-])=O)C2=O)C(=O)C[C@H]2C[C@H]3CCCN3[C@]22C(=O)Nc3ccccc23)c1 |r| Show InChI InChI=1S/C35H31N5O7/c41-32(19-26-18-27-10-5-13-38(27)35(26)30-11-1-2-12-31(30)36-34(35)43)37-20-24(14-22-6-3-8-28(16-22)39(44)45)33(42)25(21-37)15-23-7-4-9-29(17-23)40(46)47/h1-4,6-9,11-12,14-17,26-27H,5,10,13,18-21H2,(H,36,43)/b24-14+,25-15+/t26-,27-,35-/m1/s1	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	5.99E+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
Cholinesterase (Equus caballus (Horse))	BDBM50430668 (CHEMBL2332981) Show SMILES O=C(C[C@H]1C[C@H]2CCCN2[C@]11C(=O)Nc2ccccc12)N1C\C(=C/c2cccc3ccccc23)C(=O)[C@]2(C[C@H]3CCCN3[C@@]22C(=O)Nc3ccccc23)C1 |r| Show InChI InChI=1S/C45H43N5O4/c51-39(24-31-23-32-13-8-20-49(32)44(31)35-16-3-5-18-37(35)46-41(44)53)48-26-30(22-29-12-7-11-28-10-1-2-15-34(28)29)40(52)43(27-48)25-33-14-9-21-50(33)45(43)36-17-4-6-19-38(36)47-42(45)54/h1-7,10-12,15-19,22,31-33H,8-9,13-14,20-21,23-27H2,(H,46,53)(H,47,54)/b30-22+/t31-,32-,33-,43+,44-,45+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.42E+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 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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50430679 (CHEMBL2332545) Show SMILES O=C(C[C@H]1C[C@H]2CCCN2[C@]11C(=O)Nc2ccccc12)N1C\C(=C/c2cccc3ccccc23)C(=O)\C(C1)=C\c1cccc2ccccc12 |r| Show InChI InChI=1S/C43H37N3O3/c47-40(25-34-24-35-16-9-21-46(35)43(34)38-19-5-6-20-39(38)44-42(43)49)45-26-32(22-30-14-7-12-28-10-1-3-17-36(28)30)41(48)33(27-45)23-31-15-8-13-29-11-2-4-18-37(29)31/h1-8,10-15,17-20,22-23,34-35H,9,16,21,24-27H2,(H,44,49)/b32-22+,33-23+/t34-,35-,43-/m1/s1	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	6.76E+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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50430672 (CHEMBL2332531) Show SMILES Clc1ccc(\C=C2/CN(C[C@@]3(C[C@H]4CCCN4[C@@]33C(=O)Nc4ccccc34)C2=O)C(=O)C[C@H]2C[C@H]3CCCN3[C@]22C(=O)Nc3ccccc23)c(Cl)c1 |r| Show InChI InChI=1S/C41H39Cl2N5O4/c42-27-14-13-24(32(43)20-27)17-25-22-46(35(49)19-26-18-28-7-5-15-47(28)40(26)30-9-1-3-11-33(30)44-37(40)51)23-39(36(25)50)21-29-8-6-16-48(29)41(39)31-10-2-4-12-34(31)45-38(41)52/h1-4,9-14,17,20,26,28-29H,5-8,15-16,18-19,21-23H2,(H,44,51)(H,45,52)/b25-17+/t26-,28-,29-,39+,40-,41+/m1/s1	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	6.96E+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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50430670 (CHEMBL2332541) Show SMILES Clc1ccc(\C=C2/CN(C[C@@]3(C[C@H]4CCCN4[C@@]33C(=O)Nc4ccccc34)C2=O)C(=O)C[C@H]2C[C@H]3CCCN3[C@]22C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C41H40ClN5O4/c42-28-15-13-25(14-16-28)19-26-23-45(35(48)21-27-20-29-7-5-17-46(29)40(27)31-9-1-3-11-33(31)43-37(40)50)24-39(36(26)49)22-30-8-6-18-47(30)41(39)32-10-2-4-12-34(32)44-38(41)51/h1-4,9-16,19,27,29-30H,5-8,17-18,20-24H2,(H,43,50)(H,44,51)/b26-19+/t27-,29-,30-,39+,40-,41+/m1/s1	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	7.92E+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
Cholinesterase (Equus caballus (Horse))	BDBM50430669 (CHEMBL2332540) Show SMILES Fc1ccc(\C=C2/CN(C[C@@]3(C[C@H]4CCCN4[C@@]33C(=O)Nc4ccccc34)C2=O)C(=O)C[C@H]2C[C@H]3CCCN3[C@]22C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C41H40FN5O4/c42-28-15-13-25(14-16-28)19-26-23-45(35(48)21-27-20-29-7-5-17-46(29)40(27)31-9-1-3-11-33(31)43-37(40)50)24-39(36(26)49)22-30-8-6-18-47(30)41(39)32-10-2-4-12-34(32)44-38(41)51/h1-4,9-16,19,27,29-30H,5-8,17-18,20-24H2,(H,43,50)(H,44,51)/b26-19+/t27-,29-,30-,39+,40-,41+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.29E+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 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
Acetylcholinesterase (Homo sapiens (Human))	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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.72E+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
Cholinesterase (Equus caballus (Horse))	BDBM50430674 (CHEMBL2332533) Show SMILES Fc1ccccc1\C=C1/CN(C[C@@]2(C[C@H]3CCCN3[C@@]22C(=O)Nc3ccccc23)C1=O)C(=O)C[C@H]1C[C@H]2CCCN2[C@]11C(=O)Nc2ccccc12 |r| Show InChI InChI=1S/C41H40FN5O4/c42-32-14-4-1-9-25(32)19-26-23-45(35(48)21-27-20-28-10-7-17-46(28)40(27)30-12-2-5-15-33(30)43-37(40)50)24-39(36(26)49)22-29-11-8-18-47(29)41(39)31-13-3-6-16-34(31)44-38(41)51/h1-6,9,12-16,19,27-29H,7-8,10-11,17-18,20-24H2,(H,43,50)(H,44,51)/b26-19+/t27-,28-,29-,39+,40-,41+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.09E+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 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
Cholinesterase (Equus caballus (Horse))	BDBM50430654 (CHEMBL2332550) Show SMILES COc1ccccc1\C=C1/CN(C\C(=C/c2ccccc2OC)C1=O)C(=O)C[C@H]1C[C@H]2CCCN2[C@]11C(=O)Nc2ccccc12 |r| Show InChI InChI=1S/C37H37N3O5/c1-44-32-15-7-3-10-24(32)18-26-22-39(23-27(35(26)42)19-25-11-4-8-16-33(25)45-2)34(41)21-28-20-29-12-9-17-40(29)37(28)30-13-5-6-14-31(30)38-36(37)43/h3-8,10-11,13-16,18-19,28-29H,9,12,17,20-23H2,1-2H3,(H,38,43)/b26-18+,27-19+/t28-,29-,37-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.41E+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 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
Cholinesterase (Equus caballus (Horse))	BDBM50430672 (CHEMBL2332531) Show SMILES Clc1ccc(\C=C2/CN(C[C@@]3(C[C@H]4CCCN4[C@@]33C(=O)Nc4ccccc34)C2=O)C(=O)C[C@H]2C[C@H]3CCCN3[C@]22C(=O)Nc3ccccc23)c(Cl)c1 |r| Show InChI InChI=1S/C41H39Cl2N5O4/c42-27-14-13-24(32(43)20-27)17-25-22-46(35(49)19-26-18-28-7-5-15-47(28)40(26)30-9-1-3-11-33(30)44-37(40)51)23-39(36(25)50)21-29-8-6-16-48(29)41(39)31-10-2-4-12-34(31)45-38(41)52/h1-4,9-14,17,20,26,28-29H,5-8,15-16,18-19,21-23H2,(H,44,51)(H,45,52)/b25-17+/t26-,28-,29-,39+,40-,41+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.45E+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 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
Acetylcholinesterase (Homo sapiens (Human))	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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.76E+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
Cholinesterase (Equus caballus (Horse))	BDBM50430670 (CHEMBL2332541) Show SMILES Clc1ccc(\C=C2/CN(C[C@@]3(C[C@H]4CCCN4[C@@]33C(=O)Nc4ccccc34)C2=O)C(=O)C[C@H]2C[C@H]3CCCN3[C@]22C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C41H40ClN5O4/c42-28-15-13-25(14-16-28)19-26-23-45(35(48)21-27-20-29-7-5-17-46(29)40(27)31-9-1-3-11-33(31)43-37(40)50)24-39(36(26)49)22-30-8-6-18-47(30)41(39)32-10-2-4-12-34(32)44-38(41)51/h1-4,9-16,19,27,29-30H,5-8,17-18,20-24H2,(H,43,50)(H,44,51)/b26-19+/t27-,29-,30-,39+,40-,41+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.09E+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 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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50430676 (CHEMBL2332542) Show SMILES COc1ccccc1\C=C1/CN(C[C@@]2(C[C@H]3CCCN3[C@@]22C(=O)Nc3ccccc23)C1=O)C(=O)C[C@H]1C[C@H]2CCCN2[C@]11C(=O)Nc2ccccc12 |r| Show InChI InChI=1S/C42H43N5O5/c1-52-35-17-7-2-10-26(35)20-27-24-45(36(48)22-28-21-29-11-8-18-46(29)41(28)31-13-3-5-15-33(31)43-38(41)50)25-40(37(27)49)23-30-12-9-19-47(30)42(40)32-14-4-6-16-34(32)44-39(42)51/h2-7,10,13-17,20,28-30H,8-9,11-12,18-19,21-25H2,1H3,(H,43,50)(H,44,51)/b27-20+/t28-,29-,30-,40+,41-,42+/m1/s1	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	1.14E+4	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
Cholinesterase (Equus caballus (Horse))	BDBM50430675 (CHEMBL2332534) Show SMILES Clc1ccccc1\C=C1/CN(C[C@@]2(C[C@H]3CCCN3[C@@]22C(=O)Nc3ccccc23)C1=O)C(=O)C[C@H]1C[C@H]2CCCN2[C@]11C(=O)Nc2ccccc12 |r| Show InChI InChI=1S/C41H40ClN5O4/c42-32-14-4-1-9-25(32)19-26-23-45(35(48)21-27-20-28-10-7-17-46(28)40(27)30-12-2-5-15-33(30)43-37(40)50)24-39(36(26)49)22-29-11-8-18-47(29)41(39)31-13-3-6-16-34(31)44-38(41)51/h1-6,9,12-16,19,27-29H,7-8,10-11,17-18,20-24H2,(H,43,50)(H,44,51)/b26-19+/t27-,28-,29-,39+,40-,41+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.17E+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 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
Cholinesterase (Equus caballus (Horse))	BDBM50430679 (CHEMBL2332545) Show SMILES O=C(C[C@H]1C[C@H]2CCCN2[C@]11C(=O)Nc2ccccc12)N1C\C(=C/c2cccc3ccccc23)C(=O)\C(C1)=C\c1cccc2ccccc12 |r| Show InChI InChI=1S/C43H37N3O3/c47-40(25-34-24-35-16-9-21-46(35)43(34)38-19-5-6-20-39(38)44-42(43)49)45-26-32(22-30-14-7-12-28-10-1-3-17-36(28)30)41(48)33(27-45)23-31-15-8-13-29-11-2-4-18-37(29)31/h1-8,10-15,17-20,22-23,34-35H,9,16,21,24-27H2,(H,44,49)/b32-22+,33-23+/t34-,35-,43-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.18E+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 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
Acetylcholinesterase (Homo sapiens (Human))	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 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	1.18E+4	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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50430653 (CHEMBL2332974) Show SMILES Clc1ccccc1\C=C1/CN(C\C(=C/c2ccccc2Cl)C1=O)C(=O)C[C@H]1C[C@H]2CCCN2[C@]11C(=O)Nc2ccccc12 |r| Show InChI InChI=1S/C35H31Cl2N3O3/c36-29-12-4-1-8-22(29)16-24-20-39(21-25(33(24)42)17-23-9-2-5-13-30(23)37)32(41)19-26-18-27-10-7-15-40(27)35(26)28-11-3-6-14-31(28)38-34(35)43/h1-6,8-9,11-14,16-17,26-27H,7,10,15,18-21H2,(H,38,43)/b24-16+,25-17+/t26-,27-,35-/m1/s1	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	1.19E+4	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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50430655 (CHEMBL2332549) Show SMILES Cc1ccccc1\C=C1/CN(C\C(=C/c2ccccc2C)C1=O)C(=O)C[C@H]1C[C@H]2CCCN2[C@]11C(=O)Nc2ccccc12 |r| Show InChI InChI=1S/C37H37N3O3/c1-24-10-3-5-12-26(24)18-28-22-39(23-29(35(28)42)19-27-13-6-4-11-25(27)2)34(41)21-30-20-31-14-9-17-40(31)37(30)32-15-7-8-16-33(32)38-36(37)43/h3-8,10-13,15-16,18-19,30-31H,9,14,17,20-23H2,1-2H3,(H,38,43)/b28-18+,29-19+/t30-,31-,37-/m1/s1	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	1.25E+4	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
Cholinesterase (Equus caballus (Horse))	BDBM50430677 (CHEMBL2332543) Show SMILES Cc1ccccc1\C=C1/CN(C[C@@]2(C[C@H]3CCCN3[C@@]22C(=O)Nc3ccccc23)C1=O)C(=O)C[C@H]1C[C@H]2CCCN2[C@]11C(=O)Nc2ccccc12 |r| Show InChI InChI=1S/C42H43N5O4/c1-26-10-2-3-11-27(26)20-28-24-45(36(48)22-29-21-30-12-8-18-46(30)41(29)32-14-4-6-16-34(32)43-38(41)50)25-40(37(28)49)23-31-13-9-19-47(31)42(40)33-15-5-7-17-35(33)44-39(42)51/h2-7,10-11,14-17,20,29-31H,8-9,12-13,18-19,21-25H2,1H3,(H,43,50)(H,44,51)/b28-20+/t29-,30-,31-,40+,41-,42+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+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 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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50430675 (CHEMBL2332534) Show SMILES Clc1ccccc1\C=C1/CN(C[C@@]2(C[C@H]3CCCN3[C@@]22C(=O)Nc3ccccc23)C1=O)C(=O)C[C@H]1C[C@H]2CCCN2[C@]11C(=O)Nc2ccccc12 |r| Show InChI InChI=1S/C41H40ClN5O4/c42-32-14-4-1-9-25(32)19-26-23-45(35(48)21-27-20-28-10-7-17-46(28)40(27)30-12-2-5-15-33(30)43-37(40)50)24-39(36(26)49)22-29-11-8-18-47(29)41(39)31-13-3-6-16-34(31)44-38(41)51/h1-6,9,12-16,19,27-29H,7-8,10-11,17-18,20-24H2,(H,43,50)(H,44,51)/b26-19+/t27-,28-,29-,39+,40-,41+/m1/s1	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	1.36E+4	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
Acetylcholinesterase (Homo sapiens (Human))	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 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	1.38E+4	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
Acetylcholinesterase (Homo sapiens (Human))	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 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	1.51E+4	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
Acetylcholinesterase (Homo sapiens (Human))	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 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	1.58E+4	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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50430654 (CHEMBL2332550) Show SMILES COc1ccccc1\C=C1/CN(C\C(=C/c2ccccc2OC)C1=O)C(=O)C[C@H]1C[C@H]2CCCN2[C@]11C(=O)Nc2ccccc12 |r| Show InChI InChI=1S/C37H37N3O5/c1-44-32-15-7-3-10-24(32)18-26-22-39(23-27(35(26)42)19-25-11-4-8-16-33(25)45-2)34(41)21-28-20-29-12-9-17-40(29)37(28)30-13-5-6-14-31(30)38-36(37)43/h3-8,10-11,13-16,18-19,28-29H,9,12,17,20-23H2,1-2H3,(H,38,43)/b26-18+,27-19+/t28-,29-,37-/m1/s1	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+4	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
Cholinesterase (Equus caballus (Horse))	BDBM50430656 (CHEMBL2332548) Show SMILES O=C(C[C@H]1C[C@H]2CCCN2[C@]11C(=O)Nc2ccccc12)N1C\C(=C/c2ccccc2)C(=O)\C(C1)=C\c1ccccc1 |r| Show InChI InChI=1S/C35H33N3O3/c39-32(21-28-20-29-14-9-17-38(29)35(28)30-15-7-8-16-31(30)36-34(35)41)37-22-26(18-24-10-3-1-4-11-24)33(40)27(23-37)19-25-12-5-2-6-13-25/h1-8,10-13,15-16,18-19,28-29H,9,14,17,20-23H2,(H,36,41)/b26-18+,27-19+/t28-,29-,35-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.63E+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 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
Acetylcholinesterase (Homo sapiens (Human))	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 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	1.63E+4	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
Acetylcholinesterase (Homo sapiens (Human))	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 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	1.74E+4	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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50430656 (CHEMBL2332548) Show SMILES O=C(C[C@H]1C[C@H]2CCCN2[C@]11C(=O)Nc2ccccc12)N1C\C(=C/c2ccccc2)C(=O)\C(C1)=C\c1ccccc1 |r| Show InChI InChI=1S/C35H33N3O3/c39-32(21-28-20-29-14-9-17-38(29)35(28)30-15-7-8-16-31(30)36-34(35)41)37-22-26(18-24-10-3-1-4-11-24)33(40)27(23-37)19-25-12-5-2-6-13-25/h1-8,10-13,15-16,18-19,28-29H,9,14,17,20-23H2,(H,36,41)/b26-18+,27-19+/t28-,29-,35-/m1/s1	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	1.75E+4	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
Acetylcholinesterase (Homo sapiens (Human))	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 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	1.77E+4	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
Cholinesterase (Equus caballus (Horse))	BDBM50430655 (CHEMBL2332549) Show SMILES Cc1ccccc1\C=C1/CN(C\C(=C/c2ccccc2C)C1=O)C(=O)C[C@H]1C[C@H]2CCCN2[C@]11C(=O)Nc2ccccc12 |r| Show InChI InChI=1S/C37H37N3O3/c1-24-10-3-5-12-26(24)18-28-22-39(23-29(35(28)42)19-27-13-6-4-11-25(27)2)34(41)21-30-20-31-14-9-17-40(31)37(30)32-15-7-8-16-33(32)38-36(37)43/h3-8,10-13,15-16,18-19,30-31H,9,14,17,20-23H2,1-2H3,(H,38,43)/b28-18+,29-19+/t30-,31-,37-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.78E+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 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
Cholinesterase (Equus caballus (Horse))	BDBM50430671 (CHEMBL2332530) Show SMILES Cc1ccc(\C=C2/CN(C[C@@]3(C[C@H]4CCCN4[C@@]33C(=O)Nc4ccccc34)C2=O)C(=O)C[C@H]2C[C@H]3CCCN3[C@]22C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C42H43N5O4/c1-26-14-16-27(17-15-26)20-28-24-45(36(48)22-29-21-30-8-6-18-46(30)41(29)32-10-2-4-12-34(32)43-38(41)50)25-40(37(28)49)23-31-9-7-19-47(31)42(40)33-11-3-5-13-35(33)44-39(42)51/h2-5,10-17,20,29-31H,6-9,18-19,21-25H2,1H3,(H,43,50)(H,44,51)/b28-20+/t29-,30-,31-,40+,41-,42+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.79E+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 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
Acetylcholinesterase (Homo sapiens (Human))	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 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	1.81E+4	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
Cholinesterase (Equus caballus (Horse))	BDBM50430651 (CHEMBL2332976) Show SMILES [O-][N+](=O)c1cccc(\C=C2/CN(C\C(=C/c3cccc(c3)[N+]([O-])=O)C2=O)C(=O)C[C@H]2C[C@H]3CCCN3[C@]22C(=O)Nc3ccccc23)c1 |r| Show InChI InChI=1S/C35H31N5O7/c41-32(19-26-18-27-10-5-13-38(27)35(26)30-11-1-2-12-31(30)36-34(35)43)37-20-24(14-22-6-3-8-28(16-22)39(44)45)33(42)25(21-37)15-23-7-4-9-29(17-23)40(46)47/h1-4,6-9,11-12,14-17,26-27H,5,10,13,18-21H2,(H,36,43)/b24-14+,25-15+/t26-,27-,35-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.81E+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 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
Cholinesterase (Equus caballus (Horse))	BDBM50430678 (CHEMBL2332544) Show SMILES O=C(C[C@H]1C[C@H]2CCCN2[C@]11C(=O)Nc2ccccc12)N1C\C(=C/c2ccccc2)C(=O)[C@]2(C[C@H]3CCCN3[C@@]22C(=O)Nc3ccccc23)C1 |r| Show InChI InChI=1S/C41H41N5O4/c47-35(22-28-21-29-12-8-18-45(29)40(28)31-14-4-6-16-33(31)42-37(40)49)44-24-27(20-26-10-2-1-3-11-26)36(48)39(25-44)23-30-13-9-19-46(30)41(39)32-15-5-7-17-34(32)43-38(41)50/h1-7,10-11,14-17,20,28-30H,8-9,12-13,18-19,21-25H2,(H,42,49)(H,43,50)/b27-20+/t28-,29-,30-,39+,40-,41+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.82E+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 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
Cholinesterase (Equus caballus (Horse))	BDBM50430676 (CHEMBL2332542) Show SMILES COc1ccccc1\C=C1/CN(C[C@@]2(C[C@H]3CCCN3[C@@]22C(=O)Nc3ccccc23)C1=O)C(=O)C[C@H]1C[C@H]2CCCN2[C@]11C(=O)Nc2ccccc12 |r| Show InChI InChI=1S/C42H43N5O5/c1-52-35-17-7-2-10-26(35)20-27-24-45(36(48)22-28-21-29-11-8-18-46(29)41(28)31-13-3-5-15-33(31)43-38(41)50)25-40(37(27)49)23-30-12-9-19-47(30)42(40)32-14-4-6-16-34(32)44-39(42)51/h2-7,10,13-17,20,28-30H,8-9,11-12,18-19,21-25H2,1H3,(H,43,50)(H,44,51)/b27-20+/t28-,29-,30-,40+,41-,42+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.92E+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 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
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 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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50430671 (CHEMBL2332530) Show SMILES Cc1ccc(\C=C2/CN(C[C@@]3(C[C@H]4CCCN4[C@@]33C(=O)Nc4ccccc34)C2=O)C(=O)C[C@H]2C[C@H]3CCCN3[C@]22C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C42H43N5O4/c1-26-14-16-27(17-15-26)20-28-24-45(36(48)22-29-21-30-8-6-18-46(30)41(29)32-10-2-4-12-34(32)43-38(41)50)25-40(37(28)49)23-31-9-7-19-47(31)42(40)33-11-3-5-13-35(33)44-39(42)51/h2-5,10-17,20,29-31H,6-9,18-19,21-25H2,1H3,(H,43,50)(H,44,51)/b28-20+/t29-,30-,31-,40+,41-,42+/m1/s1	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	1.96E+4	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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50430678 (CHEMBL2332544) Show SMILES O=C(C[C@H]1C[C@H]2CCCN2[C@]11C(=O)Nc2ccccc12)N1C\C(=C/c2ccccc2)C(=O)[C@]2(C[C@H]3CCCN3[C@@]22C(=O)Nc3ccccc23)C1 |r| Show InChI InChI=1S/C41H41N5O4/c47-35(22-28-21-29-12-8-18-45(29)40(28)31-14-4-6-16-33(31)42-37(40)49)44-24-27(20-26-10-2-1-3-11-26)36(48)39(25-44)23-30-13-9-19-46(30)41(39)32-15-5-7-17-34(32)43-38(41)50/h1-7,10-11,14-17,20,28-30H,8-9,12-13,18-19,21-25H2,(H,42,49)(H,43,50)/b27-20+/t28-,29-,30-,39+,40-,41+/m1/s1	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	1.97E+4	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
Cholinesterase (Equus caballus (Horse))	BDBM50430653 (CHEMBL2332974) Show SMILES Clc1ccccc1\C=C1/CN(C\C(=C/c2ccccc2Cl)C1=O)C(=O)C[C@H]1C[C@H]2CCCN2[C@]11C(=O)Nc2ccccc12 |r| Show InChI InChI=1S/C35H31Cl2N3O3/c36-29-12-4-1-8-22(29)16-24-20-39(21-25(33(24)42)17-23-9-2-5-13-30(23)37)32(41)19-26-18-27-10-7-15-40(27)35(26)28-11-3-6-14-31(28)38-34(35)43/h1-6,8-9,11-14,16-17,26-27H,7,10,15,18-21H2,(H,38,43)/b24-16+,25-17+/t26-,27-,35-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.97E+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 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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50430680 (CHEMBL2332980) Show SMILES Fc1ccc(\C=C2/CN(C\C(=C/c3ccc(F)cc3)C2=O)C(=O)C[C@H]2C[C@H]3CCCN3[C@]22C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C35H31F2N3O3/c36-27-11-7-22(8-12-27)16-24-20-39(21-25(33(24)42)17-23-9-13-28(37)14-10-23)32(41)19-26-18-29-4-3-15-40(29)35(26)30-5-1-2-6-31(30)38-34(35)43/h1-2,5-14,16-17,26,29H,3-4,15,18-21H2,(H,38,43)/b24-16+,25-17+/t26-,29-,35-/m1/s1	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	1.98E+4	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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50430682 (CHEMBL2332978) Show SMILES Cc1ccc(\C=C2/CN(C\C(=C/c3ccc(C)cc3)C2=O)C(=O)C[C@H]2C[C@H]3CCCN3[C@]22C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C37H37N3O3/c1-24-9-13-26(14-10-24)18-28-22-39(23-29(35(28)42)19-27-15-11-25(2)12-16-27)34(41)21-30-20-31-6-5-17-40(31)37(30)32-7-3-4-8-33(32)38-36(37)43/h3-4,7-16,18-19,30-31H,5-6,17,20-23H2,1-2H3,(H,38,43)/b28-18+,29-19+/t30-,31-,37-/m1/s1	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	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 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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50430668 (CHEMBL2332981) Show SMILES O=C(C[C@H]1C[C@H]2CCCN2[C@]11C(=O)Nc2ccccc12)N1C\C(=C/c2cccc3ccccc23)C(=O)[C@]2(C[C@H]3CCCN3[C@@]22C(=O)Nc3ccccc23)C1 |r| Show InChI InChI=1S/C45H43N5O4/c51-39(24-31-23-32-13-8-20-49(32)44(31)35-16-3-5-18-37(35)46-41(44)53)48-26-30(22-29-12-7-11-28-10-1-2-15-34(28)29)40(52)43(27-48)25-33-14-9-21-50(33)45(43)36-17-4-6-19-38(36)47-42(45)54/h1-7,10-12,15-19,22,31-33H,8-9,13-14,20-21,23-27H2,(H,46,53)(H,47,54)/b30-22+/t31-,32-,33-,43+,44-,45+/m1/s1	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	2.06E+4	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
Cholinesterase (Equus caballus (Horse))	BDBM50430683 (CHEMBL2332977) Show SMILES Clc1ccc(\C=C2/CN(C\C(=C/c3ccc(Cl)cc3Cl)C2=O)C(=O)C[C@H]2C[C@H]3CCCN3[C@]22C(=O)Nc3ccccc23)c(Cl)c1 |r| Show InChI InChI=1S/C35H29Cl4N3O3/c36-25-9-7-20(29(38)16-25)12-22-18-41(19-23(33(22)44)13-21-8-10-26(37)17-30(21)39)32(43)15-24-14-27-4-3-11-42(27)35(24)28-5-1-2-6-31(28)40-34(35)45/h1-2,5-10,12-13,16-17,24,27H,3-4,11,14-15,18-19H2,(H,40,45)/b22-12+,23-13+/t24-,27-,35-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.12E+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 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
Acetylcholinesterase (Homo sapiens (Human))	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 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	2.20E+4	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
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 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

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