Compile Data Set for Download or QSAR

Found 419 hits with Last Name = 'kia' and Initial = 'y'   

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))	BDBM50447970 (CHEMBL3115043) Show SMILES CN1C[C@@H](c2ccccc2F)[C@@]2(CN(C\C(=C/c3ccccc3F)C2=O)C(=O)C=C)[C@@]11C(=O)Nc2ccccc12 |r| Show InChI InChI=1S/C32H27F2N3O3/c1-3-28(38)37-17-21(16-20-10-4-7-13-25(20)33)29(39)31(19-37)24(22-11-5-8-14-26(22)34)18-36(2)32(31)23-12-6-9-15-27(23)35-30(32)40/h3-16,24H,1,17-19H2,2H3,(H,35,40)/b21-16+/t24-,31+,32+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.76E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Mixed-type inhibition of equine serum BChE using S-butyrylthiocholine chloride as substrate by Dixon plot analysis				Bioorg Med Chem 22: 1318-28 (2014) Article DOI: 10.1016/j.bmc.2014.01.002 BindingDB Entry DOI: 10.7270/Q25X2BDR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50392776 (CHEMBL2151151) Show SMILES CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r| Show InChI InChI=1S/C28H39N3O3/c1-19(32)31-23(14-20-9-6-5-7-10-20)25(33)18-29-24-16-28(11-8-12-28)34-26-22(24)13-21(17-30-26)15-27(2,3)4/h5-7,9-10,13,17,23-25,29,33H,8,11-12,14-16,18H2,1-4H3,(H,31,32)/t23-,24-,25+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of BACE1 in human HEK293 cells expressing APP Swedish mutant assessed as reduction in amyloid beta 40 production after overnight incubatio...				J Med Chem 55: 9156-69 (2012) Article DOI: 10.1021/jm300598e BindingDB Entry DOI: 10.7270/Q2S46T3P
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50398312 (CHEMBL2177107) Show SMILES CC(C)Cc1cnc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3ccccc3)NC(C)=O)c2c1 |r| Show InChI InChI=1S/C27H37N3O3/c1-18(2)12-21-13-22-24(15-27(10-7-11-27)33-26(22)29-16-21)28-17-25(32)23(30-19(3)31)14-20-8-5-4-6-9-20/h4-6,8-9,13,16,18,23-25,28,32H,7,10-12,14-15,17H2,1-3H3,(H,30,31)/t23-,24-,25+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of BACE1 in human HEK293 cells expressing APP Swedish mutant assessed as reduction in amyloid beta 40 production after overnight incubatio...				J Med Chem 55: 9156-69 (2012) Article DOI: 10.1021/jm300598e BindingDB Entry DOI: 10.7270/Q2S46T3P
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50398312 (CHEMBL2177107) Show SMILES CC(C)Cc1cnc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3ccccc3)NC(C)=O)c2c1 |r| Show InChI InChI=1S/C27H37N3O3/c1-18(2)12-21-13-22-24(15-27(10-7-11-27)33-26(22)29-16-21)28-17-25(32)23(30-19(3)31)14-20-8-5-4-6-9-20/h4-6,8-9,13,16,18,23-25,28,32H,7,10-12,14-15,17H2,1-3H3,(H,30,31)/t23-,24-,25+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 using Glu-Ile-Asp-Leu-Met-Val-Leu-Asp as substrate incubated for 60 mins prior to substrate addition measured a...				J Med Chem 55: 9156-69 (2012) Article DOI: 10.1021/jm300598e BindingDB Entry DOI: 10.7270/Q2S46T3P
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50383839 (CHEMBL2030997) Show SMILES CC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r| Show InChI InChI=1S/C28H38FN3O3/c1-18(33)32-23(13-19-6-8-21(29)9-7-19)25(34)17-30-24-15-28(10-5-11-28)35-26-22(24)12-20(16-31-26)14-27(2,3)4/h6-9,12,16,23-25,30,34H,5,10-11,13-15,17H2,1-4H3,(H,32,33)/t23-,24-,25+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 using Glu-Ile-Asp-Leu-Met-Val-Leu-Asp as substrate incubated for 60 mins prior to substrate addition measured a...				J Med Chem 55: 9156-69 (2012) Article DOI: 10.1021/jm300598e BindingDB Entry DOI: 10.7270/Q2S46T3P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50392776 (CHEMBL2151151) Show SMILES CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r| Show InChI InChI=1S/C28H39N3O3/c1-19(32)31-23(14-20-9-6-5-7-10-20)25(33)18-29-24-16-28(11-8-12-28)34-26-22(24)13-21(17-30-26)15-27(2,3)4/h5-7,9-10,13,17,23-25,29,33H,8,11-12,14-16,18H2,1-4H3,(H,31,32)/t23-,24-,25+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 using Glu-Ile-Asp-Leu-Met-Val-Leu-Asp as substrate incubated for 60 mins prior to substrate addition measured a...				J Med Chem 55: 9156-69 (2012) Article DOI: 10.1021/jm300598e BindingDB Entry DOI: 10.7270/Q2S46T3P
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50398311 (CHEMBL2177343) Show SMILES CC(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 |r,c:21| Show InChI InChI=1S/C23H22N4O3/c1-14(2)11-28-17-4-6-21-19(8-17)23(12-29-22(24)27-23)18-7-15(3-5-20(18)30-21)16-9-25-13-26-10-16/h3-10,13-14H,11-12H2,1-2H3,(H2,24,27)/t23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 using Glu-Ile-Asp-Leu-Met-Val-Leu-Asp as substrate incubated for 60 mins prior to substrate addition measured a...				J Med Chem 55: 9156-69 (2012) Article DOI: 10.1021/jm300598e BindingDB Entry DOI: 10.7270/Q2S46T3P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50383839 (CHEMBL2030997) Show SMILES CC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r| Show InChI InChI=1S/C28H38FN3O3/c1-18(33)32-23(13-19-6-8-21(29)9-7-19)25(34)17-30-24-15-28(10-5-11-28)35-26-22(24)12-20(16-31-26)14-27(2,3)4/h6-9,12,16,23-25,30,34H,5,10-11,13-15,17H2,1-4H3,(H,32,33)/t23-,24-,25+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of BACE1 in human HEK293 cells expressing APP Swedish mutant assessed as reduction in amyloid beta 40 production after overnight incubatio...				J Med Chem 55: 9156-69 (2012) Article DOI: 10.1021/jm300598e BindingDB Entry DOI: 10.7270/Q2S46T3P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50398310 (CHEMBL2177342) Show SMILES CCCOc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 |r,c:20| Show InChI InChI=1S/C22H20N4O3/c1-2-7-27-16-4-6-20-18(9-16)22(12-28-21(23)26-22)17-8-14(3-5-19(17)29-20)15-10-24-13-25-11-15/h3-6,8-11,13H,2,7,12H2,1H3,(H2,23,26)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 using Glu-Ile-Asp-Leu-Met-Val-Leu-Asp as substrate incubated for 60 mins prior to substrate addition measured a...				J Med Chem 55: 9156-69 (2012) Article DOI: 10.1021/jm300598e BindingDB Entry DOI: 10.7270/Q2S46T3P
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50398311 (CHEMBL2177343) Show SMILES CC(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 |r,c:21| Show InChI InChI=1S/C23H22N4O3/c1-14(2)11-28-17-4-6-21-19(8-17)23(12-29-22(24)27-23)18-7-15(3-5-20(18)30-21)16-9-25-13-26-10-16/h3-10,13-14H,11-12H2,1-2H3,(H2,24,27)/t23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of BACE1 in human HEK293 cells expressing APP Swedish mutant assessed as reduction in amyloid beta 40 production after overnight incubatio...				J Med Chem 55: 9156-69 (2012) Article DOI: 10.1021/jm300598e BindingDB Entry DOI: 10.7270/Q2S46T3P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50398309 (CHEMBL2177317) Show SMILES CCc1cnc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3ccccc3)NC(C)=O)c2c1 |r| Show InChI InChI=1S/C25H33N3O3/c1-3-18-12-20-22(14-25(10-7-11-25)31-24(20)27-15-18)26-16-23(30)21(28-17(2)29)13-19-8-5-4-6-9-19/h4-6,8-9,12,15,21-23,26,30H,3,7,10-11,13-14,16H2,1-2H3,(H,28,29)/t21-,22-,23+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of BACE1 in human HEK293 cells expressing APP Swedish mutant assessed as reduction in amyloid beta 40 production after overnight incubatio...				J Med Chem 55: 9156-69 (2012) Article DOI: 10.1021/jm300598e BindingDB Entry DOI: 10.7270/Q2S46T3P
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50398310 (CHEMBL2177342) Show SMILES CCCOc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 |r,c:20| Show InChI InChI=1S/C22H20N4O3/c1-2-7-27-16-4-6-20-18(9-16)22(12-28-21(23)26-22)17-8-14(3-5-19(17)29-20)15-10-24-13-25-11-15/h3-6,8-11,13H,2,7,12H2,1H3,(H2,23,26)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of BACE1 in human HEK293 cells expressing APP Swedish mutant assessed as reduction in amyloid beta 40 production after overnight incubatio...				J Med Chem 55: 9156-69 (2012) Article DOI: 10.1021/jm300598e BindingDB Entry DOI: 10.7270/Q2S46T3P
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50398309 (CHEMBL2177317) Show SMILES CCc1cnc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3ccccc3)NC(C)=O)c2c1 |r| Show InChI InChI=1S/C25H33N3O3/c1-3-18-12-20-22(14-25(10-7-11-25)31-24(20)27-15-18)26-16-23(30)21(28-17(2)29)13-19-8-5-4-6-9-19/h4-6,8-9,12,15,21-23,26,30H,3,7,10-11,13-14,16H2,1-2H3,(H,28,29)/t21-,22-,23+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 using Glu-Ile-Asp-Leu-Met-Val-Leu-Asp as substrate incubated for 60 mins prior to substrate addition measured a...				J Med Chem 55: 9156-69 (2012) Article DOI: 10.1021/jm300598e BindingDB Entry DOI: 10.7270/Q2S46T3P
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50398307 (CHEMBL2177340) Show SMILES COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 |r,c:18| Show InChI InChI=1S/C20H16N4O3/c1-25-14-3-5-18-16(7-14)20(10-26-19(21)24-20)15-6-12(2-4-17(15)27-18)13-8-22-11-23-9-13/h2-9,11H,10H2,1H3,(H2,21,24)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	107	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 using Glu-Ile-Asp-Leu-Met-Val-Leu-Asp as substrate incubated for 60 mins prior to substrate addition measured a...				J Med Chem 55: 9156-69 (2012) Article DOI: 10.1021/jm300598e BindingDB Entry DOI: 10.7270/Q2S46T3P
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50398289 (CHEMBL2177325) Show SMILES COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1cccc(Cl)c1 |c:18| Show InChI InChI=1S/C22H17ClN2O3/c1-26-16-6-8-20-18(11-16)22(12-27-21(24)25-22)17-10-14(5-7-19(17)28-20)13-3-2-4-15(23)9-13/h2-11H,12H2,1H3,(H2,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 using Glu-Ile-Asp-Leu-Met-Val-Leu-Asp as substrate incubated for 60 mins prior to substrate addition measured a...				J Med Chem 55: 9156-69 (2012) Article DOI: 10.1021/jm300598e BindingDB Entry DOI: 10.7270/Q2S46T3P
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50398308 (CHEMBL2177331) Show SMILES COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1cc(Cl)ccc1F |c:18| Show InChI InChI=1S/C22H16ClFN2O3/c1-27-14-4-7-20-17(10-14)22(11-28-21(25)26-22)16-8-12(2-6-19(16)29-20)15-9-13(23)3-5-18(15)24/h2-10H,11H2,1H3,(H2,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 using Glu-Ile-Asp-Leu-Met-Val-Leu-Asp as substrate incubated for 60 mins prior to substrate addition measured a...				J Med Chem 55: 9156-69 (2012) Article DOI: 10.1021/jm300598e BindingDB Entry DOI: 10.7270/Q2S46T3P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50398302 (CHEMBL2177339) Show SMILES COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1cncnc1 |c:18| Show InChI InChI=1S/C20H16N4O3/c1-25-14-3-5-18-16(7-14)20(10-26-19(21)24-20)15-6-12(2-4-17(15)27-18)13-8-22-11-23-9-13/h2-9,11H,10H2,1H3,(H2,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 using Glu-Ile-Asp-Leu-Met-Val-Leu-Asp as substrate incubated for 60 mins prior to substrate addition measured a...				J Med Chem 55: 9156-69 (2012) Article DOI: 10.1021/jm300598e BindingDB Entry DOI: 10.7270/Q2S46T3P
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50445716 (CHEMBL3104317) Show SMILES Cc1ccc(\C=C2/CNCC3=C2N=C2SC=C(N2C3c2ccc(C)cc2)c2ccccc2)cc1 |c:10,16,t:13| Show InChI InChI=1S/C30H27N3S/c1-20-8-12-22(13-9-20)16-25-17-31-18-26-28(25)32-30-33(29(26)24-14-10-21(2)11-15-24)27(19-34-30)23-6-4-3-5-7-23/h3-16,19,29,31H,17-18H2,1-2H3/b25-16+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrat...				Bioorg Med Chem 22: 906-16 (2014) Article DOI: 10.1016/j.bmc.2013.11.020 BindingDB Entry DOI: 10.7270/Q23R0VBZ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50398307 (CHEMBL2177340) Show SMILES COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 |r,c:18| Show InChI InChI=1S/C20H16N4O3/c1-25-14-3-5-18-16(7-14)20(10-26-19(21)24-20)15-6-12(2-4-17(15)27-18)13-8-22-11-23-9-13/h2-9,11H,10H2,1H3,(H2,21,24)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	534	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of BACE1 in human HEK293 cells expressing APP Swedish mutant assessed as reduction in amyloid beta 40 production after overnight incubatio...				J Med Chem 55: 9156-69 (2012) Article DOI: 10.1021/jm300598e BindingDB Entry DOI: 10.7270/Q2S46T3P
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50398306 (CHEMBL2177333) Show SMILES COc1ccc(F)c(c1)-c1ccc2Oc3ccc(OC)cc3C3(COC(N)=N3)c2c1 |c:28| Show InChI InChI=1S/C23H19FN2O4/c1-27-14-4-6-19(24)16(10-14)13-3-7-20-17(9-13)23(12-29-22(25)26-23)18-11-15(28-2)5-8-21(18)30-20/h3-11H,12H2,1-2H3,(H2,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 using Glu-Ile-Asp-Leu-Met-Val-Leu-Asp as substrate incubated for 60 mins prior to substrate addition measured a...				J Med Chem 55: 9156-69 (2012) Article DOI: 10.1021/jm300598e BindingDB Entry DOI: 10.7270/Q2S46T3P
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50445693 (CHEMBL3104448) Show SMILES COc1ccccc1\C=C1/CNCC2C1NC(=S)NC2c1ccccc1OC Show InChI InChI=1S/C22H25N3O2S/c1-26-18-9-5-3-7-14(18)11-15-12-23-13-17-20(15)24-22(28)25-21(17)16-8-4-6-10-19(16)27-2/h3-11,17,20-21,23H,12-13H2,1-2H3,(H2,24,25,28)/b15-11+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrat...				Bioorg Med Chem 22: 906-16 (2014) Article DOI: 10.1016/j.bmc.2013.11.020 BindingDB Entry DOI: 10.7270/Q23R0VBZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50434513 (CHEMBL2385778) Show SMILES COc1ccccc1C=C1CNCC2C(NC(=S)N=C12)c1ccccc1OC |w:8.8,t:19| Show InChI InChI=1S/C22H23N3O2S/c1-26-18-9-5-3-7-14(18)11-15-12-23-13-17-20(15)24-22(28)25-21(17)16-8-4-6-10-19(16)27-2/h3-11,17,21,23H,12-13H2,1-2H3,(H,25,28)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylcholine iodide as substrate incubated for 15 mins prior to substrate addition measured after 30 mins by E...				Bioorg Med Chem 21: 3022-31 (2013) Article DOI: 10.1016/j.bmc.2013.03.058 BindingDB Entry DOI: 10.7270/Q2V40WK4
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50398296 (CHEMBL2177335) Show SMILES COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1cccnc1F |c:18| Show InChI InChI=1S/C21H16FN3O3/c1-26-13-5-7-18-16(10-13)21(11-27-20(23)25-21)15-9-12(4-6-17(15)28-18)14-3-2-8-24-19(14)22/h2-10H,11H2,1H3,(H2,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 using Glu-Ile-Asp-Leu-Met-Val-Leu-Asp as substrate incubated for 60 mins prior to substrate addition measured a...				J Med Chem 55: 9156-69 (2012) Article DOI: 10.1021/jm300598e BindingDB Entry DOI: 10.7270/Q2S46T3P
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50398305 (CHEMBL2177319) Show SMILES CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncccc12 |r| Show InChI InChI=1S/C23H29N3O3/c1-16(27)26-19(13-17-7-3-2-4-8-17)21(28)15-25-20-14-23(10-6-11-23)29-22-18(20)9-5-12-24-22/h2-5,7-9,12,19-21,25,28H,6,10-11,13-15H2,1H3,(H,26,27)/t19-,20-,21+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	804	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of BACE1 in human HEK293 cells expressing APP Swedish mutant assessed as reduction in amyloid beta 40 production after overnight incubatio...				J Med Chem 55: 9156-69 (2012) Article DOI: 10.1021/jm300598e BindingDB Entry DOI: 10.7270/Q2S46T3P
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50398303 (CHEMBL2177336) Show SMILES COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1cnccc1F |c:18| Show InChI InChI=1S/C21H16FN3O3/c1-26-13-3-5-19-16(9-13)21(11-27-20(23)25-21)15-8-12(2-4-18(15)28-19)14-10-24-7-6-17(14)22/h2-10H,11H2,1H3,(H2,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 using Glu-Ile-Asp-Leu-Met-Val-Leu-Asp as substrate incubated for 60 mins prior to substrate addition measured a...				J Med Chem 55: 9156-69 (2012) Article DOI: 10.1021/jm300598e BindingDB Entry DOI: 10.7270/Q2S46T3P
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50398293 (CHEMBL2177332) Show SMILES COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1cccc(OC)c1F |c:18| Show InChI InChI=1S/C23H19FN2O4/c1-27-14-7-9-19-17(11-14)23(12-29-22(25)26-23)16-10-13(6-8-18(16)30-19)15-4-3-5-20(28-2)21(15)24/h3-11H,12H2,1-2H3,(H2,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 using Glu-Ile-Asp-Leu-Met-Val-Leu-Asp as substrate incubated for 60 mins prior to substrate addition measured a...				J Med Chem 55: 9156-69 (2012) Article DOI: 10.1021/jm300598e BindingDB Entry DOI: 10.7270/Q2S46T3P
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50439104 (CHEMBL2417659) Show SMILES CCN1CC2C(NC(=S)N=C2C(C1)=Cc1ccccc1)c1ccccc1 |w:13.15,c:9| Show InChI InChI=1S/C22H23N3S/c1-2-25-14-18(13-16-9-5-3-6-10-16)21-19(15-25)20(23-22(26)24-21)17-11-7-4-8-12-17/h3-13,19-20H,2,14-15H2,1H3,(H,23,26)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	920	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition measured after 30...				Eur J Med Chem 67: 221-9 (2013) Article DOI: 10.1016/j.ejmech.2013.06.054 BindingDB Entry DOI: 10.7270/Q2VH5Q78
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50398298 (CHEMBL2177318) Show SMILES CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(Cl)cc12 |r| Show InChI InChI=1S/C23H28ClN3O3/c1-15(28)27-19(10-16-6-3-2-4-7-16)21(29)14-25-20-12-23(8-5-9-23)30-22-18(20)11-17(24)13-26-22/h2-4,6-7,11,13,19-21,25,29H,5,8-10,12,14H2,1H3,(H,27,28)/t19-,20-,21+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	957	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 using Glu-Ile-Asp-Leu-Met-Val-Leu-Asp as substrate incubated for 60 mins prior to substrate addition measured a...				J Med Chem 55: 9156-69 (2012) Article DOI: 10.1021/jm300598e BindingDB Entry DOI: 10.7270/Q2S46T3P
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50398304 (CHEMBL2177329) Show SMILES COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1cccc(Cl)c1F |c:18| Show InChI InChI=1S/C22H16ClFN2O3/c1-27-13-6-8-19-16(10-13)22(11-28-21(25)26-22)15-9-12(5-7-18(15)29-19)14-3-2-4-17(23)20(14)24/h2-10H,11H2,1H3,(H2,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 using Glu-Ile-Asp-Leu-Met-Val-Leu-Asp as substrate incubated for 60 mins prior to substrate addition measured a...				J Med Chem 55: 9156-69 (2012) Article DOI: 10.1021/jm300598e BindingDB Entry DOI: 10.7270/Q2S46T3P
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50398288 (CHEMBL2177320) Show SMILES COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1ccccc1 |c:18| Show InChI InChI=1S/C22H18N2O3/c1-25-16-8-10-20-18(12-16)22(13-26-21(23)24-22)17-11-15(7-9-19(17)27-20)14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H2,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 using Glu-Ile-Asp-Leu-Met-Val-Leu-Asp as substrate incubated for 60 mins prior to substrate addition measured a...				J Med Chem 55: 9156-69 (2012) Article DOI: 10.1021/jm300598e BindingDB Entry DOI: 10.7270/Q2S46T3P
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50434513 (CHEMBL2385778) Show SMILES COc1ccccc1C=C1CNCC2C(NC(=S)N=C12)c1ccccc1OC |w:8.8,t:19| Show InChI InChI=1S/C22H23N3O2S/c1-26-18-9-5-3-7-14(18)11-15-12-23-13-17-20(15)24-22(28)25-21(17)16-8-4-6-10-19(16)27-2/h3-11,17,21,23H,12-13H2,1-2H3,(H,25,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.18E+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 21: 3022-31 (2013) Article DOI: 10.1016/j.bmc.2013.03.058 BindingDB Entry DOI: 10.7270/Q2V40WK4
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50445693 (CHEMBL3104448) Show SMILES COc1ccccc1\C=C1/CNCC2C1NC(=S)NC2c1ccccc1OC Show InChI InChI=1S/C22H25N3O2S/c1-26-18-9-5-3-7-14(18)11-15-12-23-13-17-20(15)24-22(28)25-21(17)16-8-4-6-10-19(16)27-2/h3-11,17,20-21,23H,12-13H2,1-2H3,(H2,24,25,28)/b15-11+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.18E+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 butyrylcholinesterase using S-butyrylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addi...				Bioorg Med Chem 22: 906-16 (2014) Article DOI: 10.1016/j.bmc.2013.11.020 BindingDB Entry DOI: 10.7270/Q23R0VBZ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50398300 (CHEMBL2177316) Show SMILES NC1=N[C@](CO1)(c1ccc(OC(F)F)cc1)c1cccc(c1)-c1cccnc1F |r,t:1| Show InChI InChI=1S/C21H16F3N3O2/c22-18-17(5-2-10-26-18)13-3-1-4-15(11-13)21(12-28-20(25)27-21)14-6-8-16(9-7-14)29-19(23)24/h1-11,19H,12H2,(H2,25,27)/t21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 using Glu-Ile-Asp-Leu-Met-Val-Leu-Asp as substrate incubated for 60 mins prior to substrate addition measured a...				J Med Chem 55: 9156-69 (2012) Article DOI: 10.1021/jm300598e BindingDB Entry DOI: 10.7270/Q2S46T3P
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50439097 (CHEMBL1987383) Show SMILES CCN1CC2C(NC(=S)N=C2C(C1)=Cc1ccc(Cl)cc1)c1ccc(Cl)cc1 |w:13.15,c:9| Show InChI InChI=1S/C22H21Cl2N3S/c1-2-27-12-16(11-14-3-7-17(23)8-4-14)21-19(13-27)20(25-22(28)26-21)15-5-9-18(24)10-6-15/h3-11,19-20H,2,12-13H2,1H3,(H,25,28)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition measured after 30...				Eur J Med Chem 67: 221-9 (2013) Article DOI: 10.1016/j.ejmech.2013.06.054 BindingDB Entry DOI: 10.7270/Q2VH5Q78
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50398303 (CHEMBL2177336) Show SMILES COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1cnccc1F |c:18| Show InChI InChI=1S/C21H16FN3O3/c1-26-13-3-5-19-16(9-13)21(11-27-20(23)25-21)15-8-12(2-4-18(15)28-19)14-10-24-7-6-17(14)22/h2-10H,11H2,1H3,(H2,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of BACE1 in human HEK293 cells expressing APP Swedish mutant assessed as reduction in amyloid beta 40 production after overnight incubatio...				J Med Chem 55: 9156-69 (2012) Article DOI: 10.1021/jm300598e BindingDB Entry DOI: 10.7270/Q2S46T3P
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50434506 (CHEMBL2385785) Show SMILES S=C1NC(C2CNCC(=Cc3cccc4ccccc34)C2=N1)c1cccc2ccccc12 |w:9.9,c:23| Show InChI InChI=1S/C28H23N3S/c32-28-30-26-21(15-20-11-5-9-18-7-1-3-12-22(18)20)16-29-17-25(26)27(31-28)24-14-6-10-19-8-2-4-13-23(19)24/h1-15,25,27,29H,16-17H2,(H,31,32)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylcholine iodide as substrate incubated for 15 mins prior to substrate addition measured after 30 mins by E...				Bioorg Med Chem 21: 3022-31 (2013) Article DOI: 10.1016/j.bmc.2013.03.058 BindingDB Entry DOI: 10.7270/Q2V40WK4
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50398302 (CHEMBL2177339) Show SMILES COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1cncnc1 |c:18| Show InChI InChI=1S/C20H16N4O3/c1-25-14-3-5-18-16(7-14)20(10-26-19(21)24-20)15-6-12(2-4-17(15)27-18)13-8-22-11-23-9-13/h2-9,11H,10H2,1H3,(H2,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of BACE1 in human HEK293 cells expressing APP Swedish mutant assessed as reduction in amyloid beta 40 production after overnight incubatio...				J Med Chem 55: 9156-69 (2012) Article DOI: 10.1021/jm300598e BindingDB Entry DOI: 10.7270/Q2S46T3P
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50445719 (CHEMBL3104452) Show SMILES C1NCC2=C(N=C3SC=C(N3C2c2ccccc2)c2ccccc2)\C1=C\c1ccccc1 |c:8,t:3,5| Show InChI InChI=1S/C28H23N3S/c1-4-10-20(11-5-1)16-23-17-29-18-24-26(23)30-28-31(27(24)22-14-8-3-9-15-22)25(19-32-28)21-12-6-2-7-13-21/h1-16,19,27,29H,17-18H2/b23-16+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrat...				Bioorg Med Chem 22: 906-16 (2014) Article DOI: 10.1016/j.bmc.2013.11.020 BindingDB Entry DOI: 10.7270/Q23R0VBZ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50398292 (CHEMBL2177330) Show SMILES COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1ccc(Cl)cc1F |c:18| Show InChI InChI=1S/C22H16ClFN2O3/c1-27-14-4-7-20-17(10-14)22(11-28-21(25)26-22)16-8-12(2-6-19(16)29-20)15-5-3-13(23)9-18(15)24/h2-10H,11H2,1H3,(H2,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 using Glu-Ile-Asp-Leu-Met-Val-Leu-Asp as substrate incubated for 60 mins prior to substrate addition measured a...				J Med Chem 55: 9156-69 (2012) Article DOI: 10.1021/jm300598e BindingDB Entry DOI: 10.7270/Q2S46T3P
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50445715 (CHEMBL3104318) Show SMILES Clc1ccc(\C=C2/CNCC3=C2N=C2SC=C(N2C3c2ccc(Cl)cc2)c2ccccc2)cc1 |c:10,16,t:13| Show InChI InChI=1S/C28H21Cl2N3S/c29-22-10-6-18(7-11-22)14-21-15-31-16-24-26(21)32-28-33(27(24)20-8-12-23(30)13-9-20)25(17-34-28)19-4-2-1-3-5-19/h1-14,17,27,31H,15-16H2/b21-14+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrat...				Bioorg Med Chem 22: 906-16 (2014) Article DOI: 10.1016/j.bmc.2013.11.020 BindingDB Entry DOI: 10.7270/Q23R0VBZ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50434511 (CHEMBL2385780) Show SMILES Brc1ccc(C=C2CNCC3C(NC(=S)N=C23)c2ccc(Br)cc2)cc1 |w:5.4,t:15| Show InChI InChI=1S/C20H17Br2N3S/c21-15-5-1-12(2-6-15)9-14-10-23-11-17-18(24-20(26)25-19(14)17)13-3-7-16(22)8-4-13/h1-9,17-18,23H,10-11H2,(H,24,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.65E+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 21: 3022-31 (2013) Article DOI: 10.1016/j.bmc.2013.03.058 BindingDB Entry DOI: 10.7270/Q2V40WK4
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50398301 (CHEMBL2177322) Show SMILES COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1cccc(C)c1 |c:18| Show InChI InChI=1S/C23H20N2O3/c1-14-4-3-5-15(10-14)16-6-8-20-18(11-16)23(13-27-22(24)25-23)19-12-17(26-2)7-9-21(19)28-20/h3-12H,13H2,1-2H3,(H2,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 using Glu-Ile-Asp-Leu-Met-Val-Leu-Asp as substrate incubated for 60 mins prior to substrate addition measured a...				J Med Chem 55: 9156-69 (2012) Article DOI: 10.1021/jm300598e BindingDB Entry DOI: 10.7270/Q2S46T3P
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50008529 (CHEMBL3235940) Show SMILES Clc1ccccc1\C=C1/CN(CC2(C(C(NC22C(=O)Nc3ccccc23)c2ccccc2)c2ccccc2Cl)C1=O)C(=O)C=C Show InChI InChI=1S/C37H29Cl2N3O3/c1-2-31(43)42-21-25(20-24-14-6-9-17-28(24)38)34(44)36(22-42)32(26-15-7-10-18-29(26)39)33(23-12-4-3-5-13-23)41-37(36)27-16-8-11-19-30(27)40-35(37)45/h2-20,32-33,41H,1,21-22H2,(H,40,45)/b25-20+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins by spectrophotometer analysis				Bioorg Med Chem Lett 24: 1815-9 (2014) Article DOI: 10.1016/j.bmcl.2014.02.019 BindingDB Entry DOI: 10.7270/Q2S46TH2
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50398300 (CHEMBL2177316) Show SMILES NC1=N[C@](CO1)(c1ccc(OC(F)F)cc1)c1cccc(c1)-c1cccnc1F |r,t:1| Show InChI InChI=1S/C21H16F3N3O2/c22-18-17(5-2-10-26-18)13-3-1-4-15(11-13)21(12-28-20(25)27-21)14-6-8-16(9-7-14)29-19(23)24/h1-11,19H,12H2,(H2,25,27)/t21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of BACE1 in human HEK293 cells expressing APP Swedish mutant assessed as reduction in amyloid beta 40 production after overnight incubatio...				J Med Chem 55: 9156-69 (2012) Article DOI: 10.1021/jm300598e BindingDB Entry DOI: 10.7270/Q2S46T3P
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50445716 (CHEMBL3104317) Show SMILES Cc1ccc(\C=C2/CNCC3=C2N=C2SC=C(N2C3c2ccc(C)cc2)c2ccccc2)cc1 |c:10,16,t:13| Show InChI InChI=1S/C30H27N3S/c1-20-8-12-22(13-9-20)16-25-17-31-18-26-28(25)32-30-33(29(26)24-14-10-21(2)11-15-24)27(19-34-30)23-6-4-3-5-7-23/h3-16,19,29,31H,17-18H2,1-2H3/b25-16+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.71E+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 butyrylcholinesterase using S-butyrylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addi...				Bioorg Med Chem 22: 906-16 (2014) Article DOI: 10.1016/j.bmc.2013.11.020 BindingDB Entry DOI: 10.7270/Q23R0VBZ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50445719 (CHEMBL3104452) Show SMILES C1NCC2=C(N=C3SC=C(N3C2c2ccccc2)c2ccccc2)\C1=C\c1ccccc1 |c:8,t:3,5| Show InChI InChI=1S/C28H23N3S/c1-4-10-20(11-5-1)16-23-17-29-18-24-26(23)30-28-31(27(24)22-14-8-3-9-15-22)25(19-32-28)21-12-6-2-7-13-21/h1-16,19,27,29H,17-18H2/b23-16+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.74E+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 butyrylcholinesterase using S-butyrylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addi...				Bioorg Med Chem 22: 906-16 (2014) Article DOI: 10.1016/j.bmc.2013.11.020 BindingDB Entry DOI: 10.7270/Q23R0VBZ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50398299 (CHEMBL2177323) Show SMILES COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1ccc(C)cc1 |c:18| Show InChI InChI=1S/C23H20N2O3/c1-14-3-5-15(6-4-14)16-7-9-20-18(11-16)23(13-27-22(24)25-23)19-12-17(26-2)8-10-21(19)28-20/h3-12H,13H2,1-2H3,(H2,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 using Glu-Ile-Asp-Leu-Met-Val-Leu-Asp as substrate incubated for 60 mins prior to substrate addition measured a...				J Med Chem 55: 9156-69 (2012) Article DOI: 10.1021/jm300598e BindingDB Entry DOI: 10.7270/Q2S46T3P
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50398298 (CHEMBL2177318) Show SMILES CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(Cl)cc12 |r| Show InChI InChI=1S/C23H28ClN3O3/c1-15(28)27-19(10-16-6-3-2-4-7-16)21(29)14-25-20-12-23(8-5-9-23)30-22-18(20)11-17(24)13-26-22/h2-4,6-7,11,13,19-21,25,29H,5,8-10,12,14H2,1H3,(H,27,28)/t19-,20-,21+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of BACE1 in human HEK293 cells expressing APP Swedish mutant assessed as reduction in amyloid beta 40 production after overnight incubatio...				J Med Chem 55: 9156-69 (2012) Article DOI: 10.1021/jm300598e BindingDB Entry DOI: 10.7270/Q2S46T3P
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50439093 (CHEMBL2417668) Show SMILES Cc1ccccc1C=C1CN(CCN2CCOCC2)CC2C(NC(=S)N=C12)c1ccccc1C |w:7.7,t:27| Show InChI InChI=1S/C28H34N4OS/c1-20-7-3-5-9-22(20)17-23-18-32(12-11-31-13-15-33-16-14-31)19-25-26(23)29-28(34)30-27(25)24-10-6-4-8-21(24)2/h3-10,17,25,27H,11-16,18-19H2,1-2H3,(H,30,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using S-butyrylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition measured afte...				Eur J Med Chem 67: 221-9 (2013) Article DOI: 10.1016/j.ejmech.2013.06.054 BindingDB Entry DOI: 10.7270/Q2VH5Q78
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50398297 (CHEMBL2177310) Show SMILES COc1ccc(cc1)C1(COC(N)=N1)c1cccc(c1)-c1cc(Cl)ccc1F |c:13| Show InChI InChI=1S/C22H18ClFN2O2/c1-27-18-8-5-15(6-9-18)22(13-28-21(25)26-22)16-4-2-3-14(11-16)19-12-17(23)7-10-20(19)24/h2-12H,13H2,1H3,(H2,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 using Glu-Ile-Asp-Leu-Met-Val-Leu-Asp as substrate incubated for 60 mins prior to substrate addition measured a...				J Med Chem 55: 9156-69 (2012) Article DOI: 10.1021/jm300598e BindingDB Entry DOI: 10.7270/Q2S46T3P
					More data for this Ligand-Target Pair

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