Compile Data Set for Download or QSAR

Found 161 hits with Last Name = 'misiaszek' and Initial = 'j'   

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
Beta-secretase 2 (Homo sapiens (Human))	BDBM50392835 (CHEMBL2151181) Show SMILES CC#Cc1cncc(c1)-c1cc(Cl)c(s1)[C@]1(C)CC(=O)N(C)C(N)=N1 |r,c:25| Show InChI InChI=1S/C18H17ClN4OS/c1-4-5-11-6-12(10-21-9-11)14-7-13(19)16(25-14)18(2)8-15(24)23(3)17(20)22-18/h6-7,9-10H,8H2,1-3H3,(H2,20,22)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE2 by FRET assay				ACS Med Chem Lett 3: 897-902 (2012) Article DOI: 10.1021/ml3001165 BindingDB Entry DOI: 10.7270/Q23779SN
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50164512 (CHEMBL3800286) Show SMILES [H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1cc(cs1)-c1cccc(c1)C#N)c1ncc(F)c(OC)n1 |r| Show InChI InChI=1S/C23H20FN7O2S/c1-30-20(32)16-10-31(22-27-9-17(24)19(28-22)33-2)12-23(16,29-21(30)26)18-7-15(11-34-18)14-5-3-4-13(6-14)8-25/h3-7,9,11,16H,10,12H2,1-2H3,(H2,26,29)/t16-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant human BACE1 preincubated for 30 mins followed QSY7EISEVNLDAEFC-Eu-amide substrate addition measured after 90 mins by FRET a...				J Med Chem 59: 3231-48 (2016) Article DOI: 10.1021/acs.jmedchem.5b01995 BindingDB Entry DOI: 10.7270/Q2CR5W8V
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50392835 (CHEMBL2151181) Show SMILES CC#Cc1cncc(c1)-c1cc(Cl)c(s1)[C@]1(C)CC(=O)N(C)C(N)=N1 |r,c:25| Show InChI InChI=1S/C18H17ClN4OS/c1-4-5-11-6-12(10-21-9-11)14-7-13(19)16(25-14)18(2)8-15(24)23(3)17(20)22-18/h6-7,9-10H,8H2,1-3H3,(H2,20,22)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 by FRET assay				ACS Med Chem Lett 3: 897-902 (2012) Article DOI: 10.1021/ml3001165 BindingDB Entry DOI: 10.7270/Q23779SN
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50398693 (CHEMBL2178718) Show SMILES CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1ncc(F)cn1)c1cc(cs1)-c1cccc(c1)C#N |r,c:3| Show InChI InChI=1S/C22H18FN7OS/c1-29-19(31)17-10-30(21-26-8-16(23)9-27-21)12-22(17,28-20(29)25)18-6-15(11-32-18)14-4-2-3-13(5-14)7-24/h2-6,8-9,11,17H,10,12H2,1H3,(H2,25,28)/t17-,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant human BACE1 preincubated for 30 mins followed QSY7EISEVNLDAEFC-Eu-amide substrate addition measured after 90 mins by FRET a...				J Med Chem 59: 3231-48 (2016) Article DOI: 10.1021/acs.jmedchem.5b01995 BindingDB Entry DOI: 10.7270/Q2CR5W8V
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM9488 (US8541427, 1) Show SMILES COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(=N)N[C@]2(C1)c1ccc(F)cc1F |r| Show InChI InChI=1S/C19H19F3N6O2/c1-9-14(22)15(30-3)25-18(24-9)28-7-12-16(29)27(2)17(23)26-19(12,8-28)11-5-4-10(20)6-13(11)21/h4-6,12H,7-8H2,1-3H3,(H2,23,26)/t12-,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant human BACE1 preincubated for 30 mins followed QSY7EISEVNLDAEFC-Eu-amide substrate addition measured after 90 mins by FRET a...				J Med Chem 59: 3231-48 (2016) Article DOI: 10.1021/acs.jmedchem.5b01995 BindingDB Entry DOI: 10.7270/Q2CR5W8V
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50379915 (CHEMBL2012070) Show SMILES CC#Cc1cncc(c1)-c1cccc(c1)[C@]1(N=C(N)N(C)C1=O)C1CC1 |r,t:18| Show InChI InChI=1S/C21H20N4O/c1-3-5-14-10-16(13-23-12-14)15-6-4-7-18(11-15)21(17-8-9-17)19(26)25(2)20(22)24-21/h4,6-7,10-13,17H,8-9H2,1-2H3,(H2,22,24)/t21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human BACE1 using QSY7EISEVNLDAEFC-Eu-amide as substrate incubated for 30 mins prior to substrate addition measured after 90 mins by FR...				Bioorg Med Chem Lett 22: 2444-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.013 BindingDB Entry DOI: 10.7270/Q2N58NC2
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50398689 (CHEMBL2178713) Show SMILES CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1ncccc1C#N)c1cc(cs1)-c1cccc(c1)C#N |r,c:3| Show InChI InChI=1S/C24H19N7OS/c1-30-22(32)19-12-31(21-17(11-26)6-3-7-28-21)14-24(19,29-23(30)27)20-9-18(13-33-20)16-5-2-4-15(8-16)10-25/h2-9,13,19H,12,14H2,1H3,(H2,27,29)/t19-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant human BACE1 preincubated for 30 mins followed QSY7EISEVNLDAEFC-Eu-amide substrate addition measured after 90 mins by FRET a...				J Med Chem 59: 3231-48 (2016) Article DOI: 10.1021/acs.jmedchem.5b01995 BindingDB Entry DOI: 10.7270/Q2CR5W8V
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM102945 (US8541427, 16) Show SMILES COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccccc1F |r,c:19| Show InChI InChI=1S/C19H20F2N6O2/c1-10-14(21)15(29-3)24-18(23-10)27-8-12-16(28)26(2)17(22)25-19(12,9-27)11-6-4-5-7-13(11)20/h4-7,12H,8-9H2,1-3H3,(H2,22,25)/t12-,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant human BACE1 preincubated for 30 mins followed QSY7EISEVNLDAEFC-Eu-amide substrate addition measured after 90 mins by FRET a...				J Med Chem 59: 3231-48 (2016) Article DOI: 10.1021/acs.jmedchem.5b01995 BindingDB Entry DOI: 10.7270/Q2CR5W8V
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM102946 (US8541427, 17) Show SMILES COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccc(F)cc1 |r,c:19| Show InChI InChI=1S/C19H20F2N6O2/c1-10-14(21)15(29-3)24-18(23-10)27-8-13-16(28)26(2)17(22)25-19(13,9-27)11-4-6-12(20)7-5-11/h4-7,13H,8-9H2,1-3H3,(H2,22,25)/t13-,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant human BACE1 preincubated for 30 mins followed QSY7EISEVNLDAEFC-Eu-amide substrate addition measured after 90 mins by FRET a...				J Med Chem 59: 3231-48 (2016) Article DOI: 10.1021/acs.jmedchem.5b01995 BindingDB Entry DOI: 10.7270/Q2CR5W8V
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50379880 (CHEMBL2012001) Show SMILES COc1cccc(c1)-c1cccc(c1)C1(N=C(N)N(C)C1=O)C1CC1 |t:17| Show InChI InChI=1S/C20H21N3O2/c1-23-18(24)20(15-9-10-15,22-19(23)21)16-7-3-5-13(11-16)14-6-4-8-17(12-14)25-2/h3-8,11-12,15H,9-10H2,1-2H3,(H2,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human BACE2 using QSY7EISEVNLDAEFC-Eu-amide as substrate incubated for 30 mins prior to substrate addition measured after 90 mins by FR...				Bioorg Med Chem Lett 22: 2444-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.013 BindingDB Entry DOI: 10.7270/Q2N58NC2
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50392836 (CHEMBL2151141) Show SMILES CC#Cc1cncc(c1)-c1csc(c1)[C@]1(C)CC(=O)N(C)C(N)=N1 |r,c:24| Show InChI InChI=1S/C18H18N4OS/c1-4-5-12-6-13(10-20-9-12)14-7-15(24-11-14)18(2)8-16(23)22(3)17(19)21-18/h6-7,9-11H,8H2,1-3H3,(H2,19,21)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 by FRET assay				ACS Med Chem Lett 3: 897-902 (2012) Article DOI: 10.1021/ml3001165 BindingDB Entry DOI: 10.7270/Q23779SN
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50392837 (CHEMBL2151182) Show SMILES CC#Cc1cncc(c1)-c1cc(c(Cl)s1)[C@]1(C)CC(=O)N(C)C(N)=N1 |r,c:25| Show InChI InChI=1S/C18H17ClN4OS/c1-4-5-11-6-12(10-21-9-11)14-7-13(16(19)25-14)18(2)8-15(24)23(3)17(20)22-18/h6-7,9-10H,8H2,1-3H3,(H2,20,22)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 by FRET assay				ACS Med Chem Lett 3: 897-902 (2012) Article DOI: 10.1021/ml3001165 BindingDB Entry DOI: 10.7270/Q23779SN
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM102937 (US8541427, 8) Show SMILES COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1cc(F)c(F)cc1F |r,c:19| Show InChI InChI=1S/C19H18F4N6O2/c1-8-14(23)15(31-3)26-18(25-8)29-6-10-16(30)28(2)17(24)27-19(10,7-29)9-4-12(21)13(22)5-11(9)20/h4-5,10H,6-7H2,1-3H3,(H2,24,27)/t10-,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant human BACE1 preincubated for 30 mins followed QSY7EISEVNLDAEFC-Eu-amide substrate addition measured after 90 mins by FRET a...				J Med Chem 59: 3231-48 (2016) Article DOI: 10.1021/acs.jmedchem.5b01995 BindingDB Entry DOI: 10.7270/Q2CR5W8V
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM102944 (US8541427, 15 | US8541427, 206 | US8541427, 44 | U...) Show SMILES COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1cc(F)ccc1F |r,c:19| Show InChI InChI=1S/C19H19F3N6O2/c1-9-14(22)15(30-3)25-18(24-9)28-7-12-16(29)27(2)17(23)26-19(12,8-28)11-6-10(20)4-5-13(11)21/h4-6,12H,7-8H2,1-3H3,(H2,23,26)/t12-,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant human BACE1 preincubated for 30 mins followed QSY7EISEVNLDAEFC-Eu-amide substrate addition measured after 90 mins by FRET a...				J Med Chem 59: 3231-48 (2016) Article DOI: 10.1021/acs.jmedchem.5b01995 BindingDB Entry DOI: 10.7270/Q2CR5W8V
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50164509 (CHEMBL3798199) Show SMILES [H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1ccc(Cl)s1)c1nc(C)c(F)c(OC)n1 |r| Show InChI InChI=1S/C17H18ClFN6O2S/c1-8-12(19)13(27-3)22-16(21-8)25-6-9-14(26)24(2)15(20)23-17(9,7-25)10-4-5-11(18)28-10/h4-5,9H,6-7H2,1-3H3,(H2,20,23)/t9-,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant human BACE1 preincubated for 30 mins followed QSY7EISEVNLDAEFC-Eu-amide substrate addition measured after 90 mins by FRET a...				J Med Chem 59: 3231-48 (2016) Article DOI: 10.1021/acs.jmedchem.5b01995 BindingDB Entry DOI: 10.7270/Q2CR5W8V
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50379877 (CHEMBL2012004) Show SMILES COc1cncc(c1)-c1cccc(c1)C1(N=C(N)N(C)C1=O)C1CC1 |t:17| Show InChI InChI=1S/C19H20N4O2/c1-23-17(24)19(14-6-7-14,22-18(23)20)15-5-3-4-12(8-15)13-9-16(25-2)11-21-10-13/h3-5,8-11,14H,6-7H2,1-2H3,(H2,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human BACE2 using QSY7EISEVNLDAEFC-Eu-amide as substrate incubated for 30 mins prior to substrate addition measured after 90 mins by FR...				Bioorg Med Chem Lett 22: 2444-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.013 BindingDB Entry DOI: 10.7270/Q2N58NC2
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50164508 (CHEMBL3797321) Show SMILES [H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1ccc(Cl)s1)c1nc(CC)c(F)c(OC)n1 |r| Show InChI InChI=1S/C18H20ClFN6O2S/c1-4-10-13(20)14(28-3)23-17(22-10)26-7-9-15(27)25(2)16(21)24-18(9,8-26)11-5-6-12(19)29-11/h5-6,9H,4,7-8H2,1-3H3,(H2,21,24)/t9-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant human BACE1 preincubated for 30 mins followed QSY7EISEVNLDAEFC-Eu-amide substrate addition measured after 90 mins by FRET a...				J Med Chem 59: 3231-48 (2016) Article DOI: 10.1021/acs.jmedchem.5b01995 BindingDB Entry DOI: 10.7270/Q2CR5W8V
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50164510 (CHEMBL3798544) Show SMILES [H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1ccc(s1)C#N)c1nc(C)c(F)c(OC)n1 |r| Show InChI InChI=1S/C18H18FN7O2S/c1-9-13(19)14(28-3)23-17(22-9)26-7-11-15(27)25(2)16(21)24-18(11,8-26)12-5-4-10(6-20)29-12/h4-5,11H,7-8H2,1-3H3,(H2,21,24)/t11-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant human BACE1 preincubated for 30 mins followed QSY7EISEVNLDAEFC-Eu-amide substrate addition measured after 90 mins by FRET a...				J Med Chem 59: 3231-48 (2016) Article DOI: 10.1021/acs.jmedchem.5b01995 BindingDB Entry DOI: 10.7270/Q2CR5W8V
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50164507 (CHEMBL3798760) Show SMILES [H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1ccc(Cl)s1)c1nc(CCC)c(F)c(OC)n1 |r| Show InChI InChI=1S/C19H22ClFN6O2S/c1-4-5-11-14(21)15(29-3)24-18(23-11)27-8-10-16(28)26(2)17(22)25-19(10,9-27)12-6-7-13(20)30-12/h6-7,10H,4-5,8-9H2,1-3H3,(H2,22,25)/t10-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant human BACE1 preincubated for 30 mins followed QSY7EISEVNLDAEFC-Eu-amide substrate addition measured after 90 mins by FRET a...				J Med Chem 59: 3231-48 (2016) Article DOI: 10.1021/acs.jmedchem.5b01995 BindingDB Entry DOI: 10.7270/Q2CR5W8V
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM102940 (US8541427, 11) Show SMILES COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1c(F)cccc1F |r,c:19| Show InChI InChI=1S/C19H19F3N6O2/c1-9-14(22)15(30-3)25-18(24-9)28-7-10-16(29)27(2)17(23)26-19(10,8-28)13-11(20)5-4-6-12(13)21/h4-6,10H,7-8H2,1-3H3,(H2,23,26)/t10-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant human BACE1 preincubated for 30 mins followed QSY7EISEVNLDAEFC-Eu-amide substrate addition measured after 90 mins by FRET a...				J Med Chem 59: 3231-48 (2016) Article DOI: 10.1021/acs.jmedchem.5b01995 BindingDB Entry DOI: 10.7270/Q2CR5W8V
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50379914 (CHEMBL2011965) Show SMILES CN1C(N)=N[C@@](C2CC2)(C1=O)c1cccc(c1)-c1cncc(Cl)c1 |r,c:3| Show InChI InChI=1S/C18H17ClN4O/c1-23-16(24)18(13-5-6-13,22-17(23)20)14-4-2-3-11(7-14)12-8-15(19)10-21-9-12/h2-4,7-10,13H,5-6H2,1H3,(H2,20,22)/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human BACE1 using QSY7EISEVNLDAEFC-Eu-amide as substrate incubated for 30 mins prior to substrate addition measured after 90 mins by FR...				Bioorg Med Chem Lett 22: 2444-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.013 BindingDB Entry DOI: 10.7270/Q2N58NC2
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50379912 (CHEMBL2012000) Show SMILES CN1C(N)=NC(C2CC2)(C1=O)c1cccc(c1)-c1cc(Cl)cc(Cl)c1 |c:3| Show InChI InChI=1S/C19H17Cl2N3O/c1-24-17(25)19(13-5-6-13,23-18(24)22)14-4-2-3-11(7-14)12-8-15(20)10-16(21)9-12/h2-4,7-10,13H,5-6H2,1H3,(H2,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human BACE1 using QSY7EISEVNLDAEFC-Eu-amide as substrate incubated for 30 mins prior to substrate addition measured after 90 mins by FR...				Bioorg Med Chem Lett 22: 2444-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.013 BindingDB Entry DOI: 10.7270/Q2N58NC2
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM102958 (US8541427, 29) Show SMILES COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1c(F)cc(F)c(F)c1F |r,c:19| Show InChI InChI=1S/C19H17F5N6O2/c1-7-12(22)15(32-3)27-18(26-7)30-5-8-16(31)29(2)17(25)28-19(8,6-30)11-9(20)4-10(21)13(23)14(11)24/h4,8H,5-6H2,1-3H3,(H2,25,28)/t8-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant human BACE1 preincubated for 30 mins followed QSY7EISEVNLDAEFC-Eu-amide substrate addition measured after 90 mins by FRET a...				J Med Chem 59: 3231-48 (2016) Article DOI: 10.1021/acs.jmedchem.5b01995 BindingDB Entry DOI: 10.7270/Q2CR5W8V
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50379881 (CHEMBL2012002) Show SMILES CN1C(N)=NC(C2CC2)(C1=O)c1cccc(c1)-c1cccc(c1)C#N |c:3| Show InChI InChI=1S/C20H18N4O/c1-24-18(25)20(16-8-9-16,23-19(24)22)17-7-3-6-15(11-17)14-5-2-4-13(10-14)12-21/h2-7,10-11,16H,8-9H2,1H3,(H2,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human BACE2 using QSY7EISEVNLDAEFC-Eu-amide as substrate incubated for 30 mins prior to substrate addition measured after 90 mins by FR...				Bioorg Med Chem Lett 22: 2444-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.013 BindingDB Entry DOI: 10.7270/Q2N58NC2
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50392838 (CHEMBL2151179) Show SMILES CC#Cc1cncc(c1)-c1ccc(s1)[C@]1(C)CC(=O)N(C)C(N)=N1 |r,c:24| Show InChI InChI=1S/C18H18N4OS/c1-4-5-12-8-13(11-20-10-12)14-6-7-15(24-14)18(2)9-16(23)22(3)17(19)21-18/h6-8,10-11H,9H2,1-3H3,(H2,19,21)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 by FRET assay				ACS Med Chem Lett 3: 897-902 (2012) Article DOI: 10.1021/ml3001165 BindingDB Entry DOI: 10.7270/Q23779SN
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM102941 (US8541427, 12) Show SMILES COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccccc1 |r,c:19| Show InChI InChI=1S/C19H21FN6O2/c1-11-14(20)15(28-3)23-18(22-11)26-9-13-16(27)25(2)17(21)24-19(13,10-26)12-7-5-4-6-8-12/h4-8,13H,9-10H2,1-3H3,(H2,21,24)/t13-,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant human BACE1 preincubated for 30 mins followed QSY7EISEVNLDAEFC-Eu-amide substrate addition measured after 90 mins by FRET a...				J Med Chem 59: 3231-48 (2016) Article DOI: 10.1021/acs.jmedchem.5b01995 BindingDB Entry DOI: 10.7270/Q2CR5W8V
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50164505 (CHEMBL3797680) Show SMILES [H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1ccc(s1)C#N)c1nc(C)c(F)c(SC)n1 |r| Show InChI InChI=1S/C18H18FN7OS2/c1-9-13(19)14(28-3)23-17(22-9)26-7-11-15(27)25(2)16(21)24-18(11,8-26)12-5-4-10(6-20)29-12/h4-5,11H,7-8H2,1-3H3,(H2,21,24)/t11-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant human BACE1 preincubated for 30 mins followed QSY7EISEVNLDAEFC-Eu-amide substrate addition measured after 90 mins by FRET a...				J Med Chem 59: 3231-48 (2016) Article DOI: 10.1021/acs.jmedchem.5b01995 BindingDB Entry DOI: 10.7270/Q2CR5W8V
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50379902 (CHEMBL2011988) Show SMILES CN1C(N)=NC(C2CC2)(C1=O)c1cccc(c1)-c1cccc(Cl)c1 |c:3| Show InChI InChI=1S/C19H18ClN3O/c1-23-17(24)19(14-8-9-14,22-18(23)21)15-6-2-4-12(10-15)13-5-3-7-16(20)11-13/h2-7,10-11,14H,8-9H2,1H3,(H2,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human BACE1 using QSY7EISEVNLDAEFC-Eu-amide as substrate incubated for 30 mins prior to substrate addition measured after 90 mins by FR...				Bioorg Med Chem Lett 22: 2444-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.013 BindingDB Entry DOI: 10.7270/Q2N58NC2
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50392839 (CHEMBL2151180) Show SMILES CC#Cc1cncc(c1)-c1cc(cs1)[C@]1(C)CC(=O)N(C)C(N)=N1 |r,c:24| Show InChI InChI=1S/C18H18N4OS/c1-4-5-12-6-13(10-20-9-12)15-7-14(11-24-15)18(2)8-16(23)22(3)17(19)21-18/h6-7,9-11H,8H2,1-3H3,(H2,19,21)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 by FRET assay				ACS Med Chem Lett 3: 897-902 (2012) Article DOI: 10.1021/ml3001165 BindingDB Entry DOI: 10.7270/Q23779SN
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50164506 (CHEMBL3799339) Show SMILES [H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1ccc(s1)C#N)c1nc(C)c(F)c(OCC)n1 |r| Show InChI InChI=1S/C19H20FN7O2S/c1-4-29-15-14(20)10(2)23-18(24-15)27-8-12-16(28)26(3)17(22)25-19(12,9-27)13-6-5-11(7-21)30-13/h5-6,12H,4,8-9H2,1-3H3,(H2,22,25)/t12-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant human BACE1 preincubated for 30 mins followed QSY7EISEVNLDAEFC-Eu-amide substrate addition measured after 90 mins by FRET a...				J Med Chem 59: 3231-48 (2016) Article DOI: 10.1021/acs.jmedchem.5b01995 BindingDB Entry DOI: 10.7270/Q2CR5W8V
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM102969 (US8541427, 40) Show SMILES COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1c(F)ccc(F)c1F |r,c:19| Show InChI InChI=1S/C19H18F4N6O2/c1-8-13(22)15(31-3)26-18(25-8)29-6-9-16(30)28(2)17(24)27-19(9,7-29)12-10(20)4-5-11(21)14(12)23/h4-5,9H,6-7H2,1-3H3,(H2,24,27)/t9-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant human BACE1 preincubated for 30 mins followed QSY7EISEVNLDAEFC-Eu-amide substrate addition measured after 90 mins by FRET a...				J Med Chem 59: 3231-48 (2016) Article DOI: 10.1021/acs.jmedchem.5b01995 BindingDB Entry DOI: 10.7270/Q2CR5W8V
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50164511 (CHEMBL3800447) Show SMILES [H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1ccc(s1)C#N)c1ncc(F)c(OC)n1 |r| Show InChI InChI=1S/C17H16FN7O2S/c1-24-14(26)10-7-25(16-21-6-11(18)13(22-16)27-2)8-17(10,23-15(24)20)12-4-3-9(5-19)28-12/h3-4,6,10H,7-8H2,1-2H3,(H2,20,23)/t10-,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant human BACE1 preincubated for 30 mins followed QSY7EISEVNLDAEFC-Eu-amide substrate addition measured after 90 mins by FRET a...				J Med Chem 59: 3231-48 (2016) Article DOI: 10.1021/acs.jmedchem.5b01995 BindingDB Entry DOI: 10.7270/Q2CR5W8V
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50392840 (CHEMBL2151138) Show SMILES CN1C(=O)C[C@](C)(N=C1N)c1cc(cs1)-c1cccc(c1)C#N |r,c:7| Show InChI InChI=1S/C17H16N4OS/c1-17(8-15(22)21(2)16(19)20-17)14-7-13(10-23-14)12-5-3-4-11(6-12)9-18/h3-7,10H,8H2,1-2H3,(H2,19,20)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem	Article PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 by FRET assay				ACS Med Chem Lett 3: 897-902 (2012) Article DOI: 10.1021/ml3001165 BindingDB Entry DOI: 10.7270/Q23779SN
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50379913 (CHEMBL2012069) Show SMILES CN1C(N)=NC(C2CC2)(C1=O)c1cccc(c1)-c1cncc(Cl)c1 |c:3| Show InChI InChI=1S/C18H17ClN4O/c1-23-16(24)18(13-5-6-13,22-17(23)20)14-4-2-3-11(7-14)12-8-15(19)10-21-9-12/h2-4,7-10,13H,5-6H2,1H3,(H2,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human BACE1 using QSY7EISEVNLDAEFC-Eu-amide as substrate incubated for 30 mins prior to substrate addition measured after 90 mins by FR...				Bioorg Med Chem Lett 22: 2444-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.013 BindingDB Entry DOI: 10.7270/Q2N58NC2
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50379875 (CHEMBL2011964) Show SMILES CN1C(N)=NC(C2CC2)(C1=O)c1cccc(c1)-c1cncc(C)c1 |c:3| Show InChI InChI=1S/C19H20N4O/c1-12-8-14(11-21-10-12)13-4-3-5-16(9-13)19(15-6-7-15)17(24)23(2)18(20)22-19/h3-5,8-11,15H,6-7H2,1-2H3,(H2,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human BACE2 using QSY7EISEVNLDAEFC-Eu-amide as substrate incubated for 30 mins prior to substrate addition measured after 90 mins by FR...				Bioorg Med Chem Lett 22: 2444-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.013 BindingDB Entry DOI: 10.7270/Q2N58NC2
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50379896 (CHEMBL2011981) Show SMILES COc1cccc(c1)-c1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccccc1 |r,t:17| Show InChI InChI=1S/C23H21N3O2/c1-26-21(27)23(25-22(26)24,18-10-4-3-5-11-18)19-12-6-8-16(14-19)17-9-7-13-20(15-17)28-2/h3-15H,1-2H3,(H2,24,25)/t23-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human BACE1 using QSY7EISEVNLDAEFC-Eu-amide as substrate incubated for 30 mins prior to substrate addition measured after 90 mins by FR...				Bioorg Med Chem Lett 22: 2444-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.013 BindingDB Entry DOI: 10.7270/Q2N58NC2
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50392841 (CHEMBL2151139) Show SMILES CN1C(=O)C[C@](C)(N=C1N)c1ccc(s1)-c1cccc(c1)C#N |r,c:7| Show InChI InChI=1S/C17H16N4OS/c1-17(9-15(22)21(2)16(19)20-17)14-7-6-13(23-14)12-5-3-4-11(8-12)10-18/h3-8H,9H2,1-2H3,(H2,19,20)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 by FRET assay				ACS Med Chem Lett 3: 897-902 (2012) Article DOI: 10.1021/ml3001165 BindingDB Entry DOI: 10.7270/Q23779SN
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50379895 (CHEMBL2011980) Show SMILES CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)-c1cncc(Cl)c1 |c:3| Show InChI InChI=1S/C21H17ClN4O/c1-26-19(27)21(25-20(26)23,16-7-3-2-4-8-16)17-9-5-6-14(10-17)15-11-18(22)13-24-12-15/h2-13H,1H3,(H2,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human BACE1 using QSY7EISEVNLDAEFC-Eu-amide as substrate incubated for 30 mins prior to substrate addition measured after 90 mins by FR...				Bioorg Med Chem Lett 22: 2444-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.013 BindingDB Entry DOI: 10.7270/Q2N58NC2
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50379880 (CHEMBL2012001) Show SMILES COc1cccc(c1)-c1cccc(c1)C1(N=C(N)N(C)C1=O)C1CC1 |t:17| Show InChI InChI=1S/C20H21N3O2/c1-23-18(24)20(15-9-10-15,22-19(23)21)16-7-3-5-13(11-16)14-6-4-8-17(12-14)25-2/h3-8,11-12,15H,9-10H2,1-2H3,(H2,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	99	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human BACE1 using QSY7EISEVNLDAEFC-Eu-amide as substrate incubated for 30 mins prior to substrate addition measured after 90 mins by FR...				Bioorg Med Chem Lett 22: 2444-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.013 BindingDB Entry DOI: 10.7270/Q2N58NC2
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50379877 (CHEMBL2012004) Show SMILES COc1cncc(c1)-c1cccc(c1)C1(N=C(N)N(C)C1=O)C1CC1 |t:17| Show InChI InChI=1S/C19H20N4O2/c1-23-17(24)19(14-6-7-14,22-18(23)20)15-5-3-4-12(8-15)13-9-16(25-2)11-21-10-13/h3-5,8-11,14H,6-7H2,1-2H3,(H2,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human BACE1 using QSY7EISEVNLDAEFC-Eu-amide as substrate incubated for 30 mins prior to substrate addition measured after 90 mins by FR...				Bioorg Med Chem Lett 22: 2444-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.013 BindingDB Entry DOI: 10.7270/Q2N58NC2
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50379898 (CHEMBL2011983) Show SMILES CN1C(N)=N[C@](C1=O)(c1ccccc1)c1cccc(c1)-c1cccnc1 |r,c:3| Show InChI InChI=1S/C21H18N4O/c1-25-19(26)21(24-20(25)22,17-9-3-2-4-10-17)18-11-5-7-15(13-18)16-8-6-12-23-14-16/h2-14H,1H3,(H2,22,24)/t21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human BACE1 using QSY7EISEVNLDAEFC-Eu-amide as substrate incubated for 30 mins prior to substrate addition measured after 90 mins by FR...				Bioorg Med Chem Lett 22: 2444-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.013 BindingDB Entry DOI: 10.7270/Q2N58NC2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50379903 (CHEMBL2011989) Show SMILES CN1C(N)=NC(C2CCC2)(C1=O)c1cccc(c1)-c1cccc(Cl)c1 |c:3| Show InChI InChI=1S/C20H20ClN3O/c1-24-18(25)20(23-19(24)22,15-7-4-8-15)16-9-2-5-13(11-16)14-6-3-10-17(21)12-14/h2-3,5-6,9-12,15H,4,7-8H2,1H3,(H2,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human BACE1 using QSY7EISEVNLDAEFC-Eu-amide as substrate incubated for 30 mins prior to substrate addition measured after 90 mins by FR...				Bioorg Med Chem Lett 22: 2444-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.013 BindingDB Entry DOI: 10.7270/Q2N58NC2
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50379881 (CHEMBL2012002) Show SMILES CN1C(N)=NC(C2CC2)(C1=O)c1cccc(c1)-c1cccc(c1)C#N |c:3| Show InChI InChI=1S/C20H18N4O/c1-24-18(25)20(16-8-9-16,23-19(24)22)17-7-3-6-15(11-17)14-5-2-4-13(10-14)12-21/h2-7,10-11,16H,8-9H2,1H3,(H2,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human BACE1 using QSY7EISEVNLDAEFC-Eu-amide as substrate incubated for 30 mins prior to substrate addition measured after 90 mins by FR...				Bioorg Med Chem Lett 22: 2444-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.013 BindingDB Entry DOI: 10.7270/Q2N58NC2
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50379876 (CHEMBL2012006) Show SMILES CN1C(N)=NC(C2CC2)(C1=O)c1cccc(c1)-c1cncc(F)c1 |c:3| Show InChI InChI=1S/C18H17FN4O/c1-23-16(24)18(13-5-6-13,22-17(23)20)14-4-2-3-11(7-14)12-8-15(19)10-21-9-12/h2-4,7-10,13H,5-6H2,1H3,(H2,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	139	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human BACE2 using QSY7EISEVNLDAEFC-Eu-amide as substrate incubated for 30 mins prior to substrate addition measured after 90 mins by FR...				Bioorg Med Chem Lett 22: 2444-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.013 BindingDB Entry DOI: 10.7270/Q2N58NC2
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50379876 (CHEMBL2012006) Show SMILES CN1C(N)=NC(C2CC2)(C1=O)c1cccc(c1)-c1cncc(F)c1 |c:3| Show InChI InChI=1S/C18H17FN4O/c1-23-16(24)18(13-5-6-13,22-17(23)20)14-4-2-3-11(7-14)12-8-15(19)10-21-9-12/h2-4,7-10,13H,5-6H2,1H3,(H2,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human BACE1 using QSY7EISEVNLDAEFC-Eu-amide as substrate incubated for 30 mins prior to substrate addition measured after 90 mins by FR...				Bioorg Med Chem Lett 22: 2444-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.013 BindingDB Entry DOI: 10.7270/Q2N58NC2
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50379878 (CHEMBL2012005) Show SMILES CN1C(N)=NC(C2CC2)(C1=O)c1cccc(c1)-c1cncc(c1)C#N |c:3| Show InChI InChI=1S/C19H17N5O/c1-24-17(25)19(15-5-6-15,23-18(24)21)16-4-2-3-13(8-16)14-7-12(9-20)10-22-11-14/h2-4,7-8,10-11,15H,5-6H2,1H3,(H2,21,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human BACE2 using QSY7EISEVNLDAEFC-Eu-amide as substrate incubated for 30 mins prior to substrate addition measured after 90 mins by FR...				Bioorg Med Chem Lett 22: 2444-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.013 BindingDB Entry DOI: 10.7270/Q2N58NC2
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50379871 (CHEMBL2011995) Show SMILES CN1C(N)=NC(C1=O)(c1cccnc1)c1cccc(c1)-c1cccc(Cl)c1 |c:3| Show InChI InChI=1S/C21H17ClN4O/c1-26-19(27)21(25-20(26)23,17-8-4-10-24-13-17)16-7-2-5-14(11-16)15-6-3-9-18(22)12-15/h2-13H,1H3,(H2,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human BACE1 using QSY7EISEVNLDAEFC-Eu-amide as substrate incubated for 30 mins prior to substrate addition measured after 90 mins by FR...				Bioorg Med Chem Lett 22: 2444-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.013 BindingDB Entry DOI: 10.7270/Q2N58NC2
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50379882 (CHEMBL2011967) Show SMILES COc1cccc(c1)-c1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccccc1 |t:17| Show InChI InChI=1S/C23H21N3O2/c1-26-21(27)23(25-22(26)24,18-10-4-3-5-11-18)19-12-6-8-16(14-19)17-9-7-13-20(15-17)28-2/h3-15H,1-2H3,(H2,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human BACE1 using QSY7EISEVNLDAEFC-Eu-amide as substrate incubated for 30 mins prior to substrate addition measured after 90 mins by FR...				Bioorg Med Chem Lett 22: 2444-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.013 BindingDB Entry DOI: 10.7270/Q2N58NC2
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50379906 (CHEMBL2011992) Show SMILES CN1C(N)=NC(C1=O)(c1cccc(c1)-c1cccc(Cl)c1)C1(C)CC1 |c:3| Show InChI InChI=1S/C20H20ClN3O/c1-19(9-10-19)20(17(25)24(2)18(22)23-20)15-7-3-5-13(11-15)14-6-4-8-16(21)12-14/h3-8,11-12H,9-10H2,1-2H3,(H2,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human BACE1 using QSY7EISEVNLDAEFC-Eu-amide as substrate incubated for 30 mins prior to substrate addition measured after 90 mins by FR...				Bioorg Med Chem Lett 22: 2444-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.013 BindingDB Entry DOI: 10.7270/Q2N58NC2
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50392842 (CHEMBL2151140) Show SMILES CN1C(=O)C[C@](C)(N=C1N)c1csc(c1)-c1cccc(c1)C#N |r,c:7| Show InChI InChI=1S/C17H16N4OS/c1-17(8-15(22)21(2)16(19)20-17)13-7-14(23-10-13)12-5-3-4-11(6-12)9-18/h3-7,10H,8H2,1-2H3,(H2,19,20)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 by FRET assay				ACS Med Chem Lett 3: 897-902 (2012) Article DOI: 10.1021/ml3001165 BindingDB Entry DOI: 10.7270/Q23779SN
					More data for this Ligand-Target Pair

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