Compile Data Set for Download or QSAR

Found 45 hits Enz. Inhib. hit(s) with all data for entry = 50021650   

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 1 (Homo sapiens (Human))	BDBM50226448 ((6R)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-...) Show SMILES COc1cccc(c1)-c1cccc(CC[C@]2(C)CC(=O)N(C)C(N)=N2)c1 |c:24| Show InChI InChI=1S/C21H25N3O2/c1-21(14-19(25)24(2)20(22)23-21)11-10-15-6-4-7-16(12-15)17-8-5-9-18(13-17)26-3/h4-9,12-13H,10-11,14H2,1-3H3,(H2,22,23)/t21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of BACE1 by FRET assay				J Med Chem 50: 5912-25 (2007) Article DOI: 10.1021/jm070829p BindingDB Entry DOI: 10.7270/Q2B27V0D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50226454 (2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-d...) Show SMILES COc1cccc(c1)-c1cccc(CCC2(C)CC(=O)N(C)C(N)=N2)c1 |c:24| Show InChI InChI=1S/C21H25N3O2/c1-21(14-19(25)24(2)20(22)23-21)11-10-15-6-4-7-16(12-15)17-8-5-9-18(13-17)26-3/h4-9,12-13H,10-11,14H2,1-3H3,(H2,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of BACE1 by FRET assay				J Med Chem 50: 5912-25 (2007) Article DOI: 10.1021/jm070829p BindingDB Entry DOI: 10.7270/Q2B27V0D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50226442 (2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5...) Show SMILES COc1cccc(c1)-c1cccc(c1)C1(C)CC(=O)N(C)C(N)=N1 |c:24| Show InChI InChI=1S/C19H21N3O2/c1-19(12-17(23)22(2)18(20)21-19)15-8-4-6-13(10-15)14-7-5-9-16(11-14)24-3/h4-11H,12H2,1-3H3,(H2,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of BACE1 by FRET assay				J Med Chem 50: 5912-25 (2007) Article DOI: 10.1021/jm070829p BindingDB Entry DOI: 10.7270/Q2B27V0D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50226448 ((6R)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-...) Show SMILES COc1cccc(c1)-c1cccc(CC[C@]2(C)CC(=O)N(C)C(N)=N2)c1 |c:24| Show InChI InChI=1S/C21H25N3O2/c1-21(14-19(25)24(2)20(22)23-21)11-10-15-6-4-7-16(12-15)17-8-5-9-18(13-17)26-3/h4-9,12-13H,10-11,14H2,1-3H3,(H2,22,23)/t21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of human full length BACE1 expressed in HEK293 cells				J Med Chem 50: 5912-25 (2007) Article DOI: 10.1021/jm070829p BindingDB Entry DOI: 10.7270/Q2B27V0D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50226442 (2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5...) Show SMILES COc1cccc(c1)-c1cccc(c1)C1(C)CC(=O)N(C)C(N)=N1 |c:24| Show InChI InChI=1S/C19H21N3O2/c1-19(12-17(23)22(2)18(20)21-19)15-8-4-6-13(10-15)14-7-5-9-16(11-14)24-3/h4-11H,12H2,1-3H3,(H2,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of BACE1 by IGEN assay				J Med Chem 50: 5912-25 (2007) Article DOI: 10.1021/jm070829p BindingDB Entry DOI: 10.7270/Q2B27V0D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50226454 (2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-d...) Show SMILES COc1cccc(c1)-c1cccc(CCC2(C)CC(=O)N(C)C(N)=N2)c1 |c:24| Show InChI InChI=1S/C21H25N3O2/c1-21(14-19(25)24(2)20(22)23-21)11-10-15-6-4-7-16(12-15)17-8-5-9-18(13-17)26-3/h4-9,12-13H,10-11,14H2,1-3H3,(H2,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of human full length BACE1 expressed in HEK293 cells				J Med Chem 50: 5912-25 (2007) Article DOI: 10.1021/jm070829p BindingDB Entry DOI: 10.7270/Q2B27V0D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50226442 (2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5...) Show SMILES COc1cccc(c1)-c1cccc(c1)C1(C)CC(=O)N(C)C(N)=N1 |c:24| Show InChI InChI=1S/C19H21N3O2/c1-19(12-17(23)22(2)18(20)21-19)15-8-4-6-13(10-15)14-7-5-9-16(11-14)24-3/h4-11H,12H2,1-3H3,(H2,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of BACE1 by SPR assay				J Med Chem 50: 5912-25 (2007) Article DOI: 10.1021/jm070829p BindingDB Entry DOI: 10.7270/Q2B27V0D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50226455 (2-amino-6-[2-(1,1'-biphenyl-3-yl)ethyl]-3,6-dimeth...) Show SMILES CN1C(=O)CC(C)(CCc2cccc(c2)-c2ccccc2)N=C1N |c:23| Show InChI InChI=1S/C20H23N3O/c1-20(14-18(24)23(2)19(21)22-20)12-11-15-7-6-10-17(13-15)16-8-4-3-5-9-16/h3-10,13H,11-12,14H2,1-2H3,(H2,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of BACE1 by FRET assay				J Med Chem 50: 5912-25 (2007) Article DOI: 10.1021/jm070829p BindingDB Entry DOI: 10.7270/Q2B27V0D
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50226455 (2-amino-6-[2-(1,1'-biphenyl-3-yl)ethyl]-3,6-dimeth...) Show SMILES CN1C(=O)CC(C)(CCc2cccc(c2)-c2ccccc2)N=C1N |c:23| Show InChI InChI=1S/C20H23N3O/c1-20(14-18(24)23(2)19(21)22-20)12-11-15-7-6-10-17(13-15)16-8-4-3-5-9-16/h3-10,13H,11-12,14H2,1-2H3,(H2,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of human full length BACE1 expressed in HEK293 cells				J Med Chem 50: 5912-25 (2007) Article DOI: 10.1021/jm070829p BindingDB Entry DOI: 10.7270/Q2B27V0D
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50226447 (2-amino-3,6-dimethyl-6-phenyl-5,6-dihydro-3H-pyrim...) Show SMILES CN1C(=O)CC(C)(N=C1N)c1ccccc1 |c:7| Show InChI InChI=1S/C12H15N3O/c1-12(9-6-4-3-5-7-9)8-10(16)15(2)11(13)14-12/h3-7H,8H2,1-2H3,(H2,13,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of BACE1 by FRET assay				J Med Chem 50: 5912-25 (2007) Article DOI: 10.1021/jm070829p BindingDB Entry DOI: 10.7270/Q2B27V0D
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50226440 (2-amino-6-(3,4-dichlorophenyl)-3,6-dimethyl-5,6-di...) Show SMILES CN1C(N)=NC(C)(CC1=O)c1ccc(Cl)c(Cl)c1 |c:3| Show InChI InChI=1S/C12H13Cl2N3O/c1-12(6-10(18)17(2)11(15)16-12)7-3-4-8(13)9(14)5-7/h3-5H,6H2,1-2H3,(H2,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of human full length BACE1 expressed in HEK293 cells				J Med Chem 50: 5912-25 (2007) Article DOI: 10.1021/jm070829p BindingDB Entry DOI: 10.7270/Q2B27V0D
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50226447 (2-amino-3,6-dimethyl-6-phenyl-5,6-dihydro-3H-pyrim...) Show SMILES CN1C(=O)CC(C)(N=C1N)c1ccccc1 |c:7| Show InChI InChI=1S/C12H15N3O/c1-12(9-6-4-3-5-7-9)8-10(16)15(2)11(13)14-12/h3-7H,8H2,1-2H3,(H2,13,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of BACE1 by IGEN assay				J Med Chem 50: 5912-25 (2007) Article DOI: 10.1021/jm070829p BindingDB Entry DOI: 10.7270/Q2B27V0D
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50226447 (2-amino-3,6-dimethyl-6-phenyl-5,6-dihydro-3H-pyrim...) Show SMILES CN1C(=O)CC(C)(N=C1N)c1ccccc1 |c:7| Show InChI InChI=1S/C12H15N3O/c1-12(9-6-4-3-5-7-9)8-10(16)15(2)11(13)14-12/h3-7H,8H2,1-2H3,(H2,13,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of human full length BACE1 expressed in HEK293 cells				J Med Chem 50: 5912-25 (2007) Article DOI: 10.1021/jm070829p BindingDB Entry DOI: 10.7270/Q2B27V0D
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50226453 (2-amino-6-[2-(3'-methoxy-1,1'-biphenyl-3-yl)ethyl]...) Show SMILES COc1cccc(c1)-c1cccc(CCc2cc(=O)n(C)c(N)n2)c1 Show InChI InChI=1S/C20H21N3O2/c1-23-19(24)13-17(22-20(23)21)10-9-14-5-3-6-15(11-14)16-7-4-8-18(12-16)25-2/h3-8,11-13H,9-10H2,1-2H3,(H2,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of BACE1 by IGEN assay				J Med Chem 50: 5912-25 (2007) Article DOI: 10.1021/jm070829p BindingDB Entry DOI: 10.7270/Q2B27V0D
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50226453 (2-amino-6-[2-(3'-methoxy-1,1'-biphenyl-3-yl)ethyl]...) Show SMILES COc1cccc(c1)-c1cccc(CCc2cc(=O)n(C)c(N)n2)c1 Show InChI InChI=1S/C20H21N3O2/c1-23-19(24)13-17(22-20(23)21)10-9-14-5-3-6-15(11-14)16-7-4-8-18(12-16)25-2/h3-8,11-13H,9-10H2,1-2H3,(H2,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of BACE1 by SPR assay				J Med Chem 50: 5912-25 (2007) Article DOI: 10.1021/jm070829p BindingDB Entry DOI: 10.7270/Q2B27V0D
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50226453 (2-amino-6-[2-(3'-methoxy-1,1'-biphenyl-3-yl)ethyl]...) Show SMILES COc1cccc(c1)-c1cccc(CCc2cc(=O)n(C)c(N)n2)c1 Show InChI InChI=1S/C20H21N3O2/c1-23-19(24)13-17(22-20(23)21)10-9-14-5-3-6-15(11-14)16-7-4-8-18(12-16)25-2/h3-8,11-13H,9-10H2,1-2H3,(H2,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of BACE1 by FRET assay				J Med Chem 50: 5912-25 (2007) Article DOI: 10.1021/jm070829p BindingDB Entry DOI: 10.7270/Q2B27V0D
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50226440 (2-amino-6-(3,4-dichlorophenyl)-3,6-dimethyl-5,6-di...) Show SMILES CN1C(N)=NC(C)(CC1=O)c1ccc(Cl)c(Cl)c1 |c:3| Show InChI InChI=1S/C12H13Cl2N3O/c1-12(6-10(18)17(2)11(15)16-12)7-3-4-8(13)9(14)5-7/h3-5H,6H2,1-2H3,(H2,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of BACE1 by FRET assay				J Med Chem 50: 5912-25 (2007) Article DOI: 10.1021/jm070829p BindingDB Entry DOI: 10.7270/Q2B27V0D
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50226440 (2-amino-6-(3,4-dichlorophenyl)-3,6-dimethyl-5,6-di...) Show SMILES CN1C(N)=NC(C)(CC1=O)c1ccc(Cl)c(Cl)c1 |c:3| Show InChI InChI=1S/C12H13Cl2N3O/c1-12(6-10(18)17(2)11(15)16-12)7-3-4-8(13)9(14)5-7/h3-5H,6H2,1-2H3,(H2,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of BACE1 by SPR assay				J Med Chem 50: 5912-25 (2007) Article DOI: 10.1021/jm070829p BindingDB Entry DOI: 10.7270/Q2B27V0D
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50226443 (6-(2-(1H-indol-6-yl)ethyl)-2-amino-3-methylpyrimid...) Show SMILES Cn1c(N)nc(CCc2ccc3cc[nH]c3c2)cc1=O Show InChI InChI=1S/C15H16N4O/c1-19-14(20)9-12(18-15(19)16)5-3-10-2-4-11-6-7-17-13(11)8-10/h2,4,6-9,17H,3,5H2,1H3,(H2,16,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of BACE1 by SPR assay				J Med Chem 50: 5912-25 (2007) Article DOI: 10.1021/jm070829p BindingDB Entry DOI: 10.7270/Q2B27V0D
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50226457 (6-(3-(pyridin-3-yl)phenethyl)-2-amino-3-methylpyri...) Show SMILES Cn1c(N)nc(CCc2cccc(c2)-c2cccnc2)cc1=O Show InChI InChI=1S/C18H18N4O/c1-22-17(23)11-16(21-18(22)19)8-7-13-4-2-5-14(10-13)15-6-3-9-20-12-15/h2-6,9-12H,7-8H2,1H3,(H2,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of BACE1 by SPR assay				J Med Chem 50: 5912-25 (2007) Article DOI: 10.1021/jm070829p BindingDB Entry DOI: 10.7270/Q2B27V0D
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50226441 (2-amino-3-methyl-6-(2-(naphthalen-2-yl)ethyl)pyrim...) Show SMILES Cn1c(N)nc(CCc2ccc3ccccc3c2)cc1=O Show InChI InChI=1S/C17H17N3O/c1-20-16(21)11-15(19-17(20)18)9-7-12-6-8-13-4-2-3-5-14(13)10-12/h2-6,8,10-11H,7,9H2,1H3,(H2,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of BACE1 by IGEN assay				J Med Chem 50: 5912-25 (2007) Article DOI: 10.1021/jm070829p BindingDB Entry DOI: 10.7270/Q2B27V0D
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50226441 (2-amino-3-methyl-6-(2-(naphthalen-2-yl)ethyl)pyrim...) Show SMILES Cn1c(N)nc(CCc2ccc3ccccc3c2)cc1=O Show InChI InChI=1S/C17H17N3O/c1-20-16(21)11-15(19-17(20)18)9-7-12-6-8-13-4-2-3-5-14(13)10-12/h2-6,8,10-11H,7,9H2,1H3,(H2,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of BACE1 by SPR assay				J Med Chem 50: 5912-25 (2007) Article DOI: 10.1021/jm070829p BindingDB Entry DOI: 10.7270/Q2B27V0D
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50226449 (2-amino-6-[2-(1,1'-biphenyl-3-yl)ethyl]-3-methylpy...) Show SMILES Cn1c(N)nc(CCc2cccc(c2)-c2ccccc2)cc1=O Show InChI InChI=1S/C19H19N3O/c1-22-18(23)13-17(21-19(22)20)11-10-14-6-5-9-16(12-14)15-7-3-2-4-8-15/h2-9,12-13H,10-11H2,1H3,(H2,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of BACE1 by FRET assay				J Med Chem 50: 5912-25 (2007) Article DOI: 10.1021/jm070829p BindingDB Entry DOI: 10.7270/Q2B27V0D
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50226449 (2-amino-6-[2-(1,1'-biphenyl-3-yl)ethyl]-3-methylpy...) Show SMILES Cn1c(N)nc(CCc2cccc(c2)-c2ccccc2)cc1=O Show InChI InChI=1S/C19H19N3O/c1-22-18(23)13-17(21-19(22)20)11-10-14-6-5-9-16(12-14)15-7-3-2-4-8-15/h2-9,12-13H,10-11H2,1H3,(H2,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of BACE1 by IGEN assay				J Med Chem 50: 5912-25 (2007) Article DOI: 10.1021/jm070829p BindingDB Entry DOI: 10.7270/Q2B27V0D
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50226456 (2-amino-3,6-dimethyl-6-phenethyl-5,6-dihydropyrimi...) Show SMILES CN1C(=O)CC(C)(CCc2ccccc2)N=C1N |c:16| Show InChI InChI=1S/C14H19N3O/c1-14(9-8-11-6-4-3-5-7-11)10-12(18)17(2)13(15)16-14/h3-7H,8-10H2,1-2H3,(H2,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of BACE1 by FRET assay				J Med Chem 50: 5912-25 (2007) Article DOI: 10.1021/jm070829p BindingDB Entry DOI: 10.7270/Q2B27V0D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50226450 ((S)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3...) Show SMILES COc1cccc(c1)-c1cccc(CC[C@@]2(C)CC(=O)N(C)C(N)=N2)c1 |c:24| Show InChI InChI=1S/C21H25N3O2/c1-21(14-19(25)24(2)20(22)23-21)11-10-15-6-4-7-16(12-15)17-8-5-9-18(13-17)26-3/h4-9,12-13H,10-11,14H2,1-3H3,(H2,22,23)/t21-/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	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of BACE1 by FRET assay				J Med Chem 50: 5912-25 (2007) Article DOI: 10.1021/jm070829p BindingDB Entry DOI: 10.7270/Q2B27V0D
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50226441 (2-amino-3-methyl-6-(2-(naphthalen-2-yl)ethyl)pyrim...) Show SMILES Cn1c(N)nc(CCc2ccc3ccccc3c2)cc1=O Show InChI InChI=1S/C17H17N3O/c1-20-16(21)11-15(19-17(20)18)9-7-12-6-8-13-4-2-3-5-14(13)10-12/h2-6,8,10-11H,7,9H2,1H3,(H2,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of BACE1 by FRET assay				J Med Chem 50: 5912-25 (2007) Article DOI: 10.1021/jm070829p BindingDB Entry DOI: 10.7270/Q2B27V0D
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50226443 (6-(2-(1H-indol-6-yl)ethyl)-2-amino-3-methylpyrimid...) Show SMILES Cn1c(N)nc(CCc2ccc3cc[nH]c3c2)cc1=O Show InChI InChI=1S/C15H16N4O/c1-19-14(20)9-12(18-15(19)16)5-3-10-2-4-11-6-7-17-13(11)8-10/h2,4,6-9,17H,3,5H2,1H3,(H2,16,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of BACE1 by IGEN assay				J Med Chem 50: 5912-25 (2007) Article DOI: 10.1021/jm070829p BindingDB Entry DOI: 10.7270/Q2B27V0D
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50226444 (6-(3-(1H-pyrrol-2-yl)phenethyl)-2-amino-3-methylpy...) Show SMILES Cn1c(N)nc(CCc2cccc(c2)-c2ccc[nH]2)cc1=O Show InChI InChI=1S/C17H18N4O/c1-21-16(22)11-14(20-17(21)18)8-7-12-4-2-5-13(10-12)15-6-3-9-19-15/h2-6,9-11,19H,7-8H2,1H3,(H2,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of BACE1 by SPR assay				J Med Chem 50: 5912-25 (2007) Article DOI: 10.1021/jm070829p BindingDB Entry DOI: 10.7270/Q2B27V0D
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50226443 (6-(2-(1H-indol-6-yl)ethyl)-2-amino-3-methylpyrimid...) Show SMILES Cn1c(N)nc(CCc2ccc3cc[nH]c3c2)cc1=O Show InChI InChI=1S/C15H16N4O/c1-19-14(20)9-12(18-15(19)16)5-3-10-2-4-11-6-7-17-13(11)8-10/h2,4,6-9,17H,3,5H2,1H3,(H2,16,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of BACE1 by FRET assay				J Med Chem 50: 5912-25 (2007) Article DOI: 10.1021/jm070829p BindingDB Entry DOI: 10.7270/Q2B27V0D
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50226458 (2-amino-6-(3,4-dichlorophenyl)-6-methyl-5,6-dihydr...) Show SMILES CC1(CC(=O)NC(N)=N1)c1ccc(Cl)c(Cl)c1 |c:7| Show InChI InChI=1S/C11H11Cl2N3O/c1-11(5-9(17)15-10(14)16-11)6-2-3-7(12)8(13)4-6/h2-4H,5H2,1H3,(H3,14,15,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of BACE1 by SPR assay				J Med Chem 50: 5912-25 (2007) Article DOI: 10.1021/jm070829p BindingDB Entry DOI: 10.7270/Q2B27V0D
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50226458 (2-amino-6-(3,4-dichlorophenyl)-6-methyl-5,6-dihydr...) Show SMILES CC1(CC(=O)NC(N)=N1)c1ccc(Cl)c(Cl)c1 |c:7| Show InChI InChI=1S/C11H11Cl2N3O/c1-11(5-9(17)15-10(14)16-11)6-2-3-7(12)8(13)4-6/h2-4H,5H2,1H3,(H3,14,15,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of BACE1 by FRET assay				J Med Chem 50: 5912-25 (2007) Article DOI: 10.1021/jm070829p BindingDB Entry DOI: 10.7270/Q2B27V0D
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50226445 (2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-4(3H)-...) Show SMILES Nc1nc(CCc2ccc3cc[nH]c3c2)cc(=O)[nH]1 Show InChI InChI=1S/C14H14N4O/c15-14-17-11(8-13(19)18-14)4-2-9-1-3-10-5-6-16-12(10)7-9/h1,3,5-8,16H,2,4H2,(H3,15,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	8.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of BACE1 by SPR assay				J Med Chem 50: 5912-25 (2007) Article DOI: 10.1021/jm070829p BindingDB Entry DOI: 10.7270/Q2B27V0D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50226442 (2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5...) Show SMILES COc1cccc(c1)-c1cccc(c1)C1(C)CC(=O)N(C)C(N)=N1 |c:24| Show InChI InChI=1S/C19H21N3O2/c1-19(12-17(23)22(2)18(20)21-19)15-8-4-6-13(10-15)14-7-5-9-16(11-14)24-3/h4-11H,12H2,1-3H3,(H2,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	9.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of human full length BACE1 expressed in HEK293 cells				J Med Chem 50: 5912-25 (2007) Article DOI: 10.1021/jm070829p BindingDB Entry DOI: 10.7270/Q2B27V0D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50226453 (2-amino-6-[2-(3'-methoxy-1,1'-biphenyl-3-yl)ethyl]...) Show SMILES COc1cccc(c1)-c1cccc(CCc2cc(=O)n(C)c(N)n2)c1 Show InChI InChI=1S/C20H21N3O2/c1-23-19(24)13-17(22-20(23)21)10-9-14-5-3-6-15(11-14)16-7-4-8-18(12-16)25-2/h3-8,11-13H,9-10H2,1-2H3,(H2,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of human full length BACE1 expressed in HEK293 cells				J Med Chem 50: 5912-25 (2007) Article DOI: 10.1021/jm070829p BindingDB Entry DOI: 10.7270/Q2B27V0D
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50226444 (6-(3-(1H-pyrrol-2-yl)phenethyl)-2-amino-3-methylpy...) Show SMILES Cn1c(N)nc(CCc2cccc(c2)-c2ccc[nH]2)cc1=O Show InChI InChI=1S/C17H18N4O/c1-21-16(22)11-14(20-17(21)18)8-7-12-4-2-5-13(10-12)15-6-3-9-19-15/h2-6,9-11,19H,7-8H2,1H3,(H2,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of BACE1 by FRET assay				J Med Chem 50: 5912-25 (2007) Article DOI: 10.1021/jm070829p BindingDB Entry DOI: 10.7270/Q2B27V0D
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50226444 (6-(3-(1H-pyrrol-2-yl)phenethyl)-2-amino-3-methylpy...) Show SMILES Cn1c(N)nc(CCc2cccc(c2)-c2ccc[nH]2)cc1=O Show InChI InChI=1S/C17H18N4O/c1-21-16(22)11-14(20-17(21)18)8-7-12-4-2-5-13(10-12)15-6-3-9-19-15/h2-6,9-11,19H,7-8H2,1H3,(H2,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of BACE1 by IGEN assay				J Med Chem 50: 5912-25 (2007) Article DOI: 10.1021/jm070829p BindingDB Entry DOI: 10.7270/Q2B27V0D
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50226445 (2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-4(3H)-...) Show SMILES Nc1nc(CCc2ccc3cc[nH]c3c2)cc(=O)[nH]1 Show InChI InChI=1S/C14H14N4O/c15-14-17-11(8-13(19)18-14)4-2-9-1-3-10-5-6-16-12(10)7-9/h1,3,5-8,16H,2,4H2,(H3,15,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	1.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of BACE1 by FRET assay				J Med Chem 50: 5912-25 (2007) Article DOI: 10.1021/jm070829p BindingDB Entry DOI: 10.7270/Q2B27V0D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50226452 (2-amino-6-methyl-6-phenyl-5,6-dihydropyrimidin-4(3...) Show SMILES CC1(CC(=O)NC(N)=N1)c1ccccc1 |c:7| Show InChI InChI=1S/C11H13N3O/c1-11(8-5-3-2-4-6-8)7-9(15)13-10(12)14-11/h2-6H,7H2,1H3,(H3,12,13,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of BACE1 by SPR assay				J Med Chem 50: 5912-25 (2007) Article DOI: 10.1021/jm070829p BindingDB Entry DOI: 10.7270/Q2B27V0D
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50226446 (2-amino-3-methyl-6-phenethyl-3H-pyrimidin-4-one | ...) Show SMILES Cn1c(N)nc(CCc2ccccc2)cc1=O Show InChI InChI=1S/C13H15N3O/c1-16-12(17)9-11(15-13(16)14)8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of BACE1 by IGEN assay				J Med Chem 50: 5912-25 (2007) Article DOI: 10.1021/jm070829p BindingDB Entry DOI: 10.7270/Q2B27V0D
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50226446 (2-amino-3-methyl-6-phenethyl-3H-pyrimidin-4-one | ...) Show SMILES Cn1c(N)nc(CCc2ccccc2)cc1=O Show InChI InChI=1S/C13H15N3O/c1-16-12(17)9-11(15-13(16)14)8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of BACE1 by SPR assay				J Med Chem 50: 5912-25 (2007) Article DOI: 10.1021/jm070829p BindingDB Entry DOI: 10.7270/Q2B27V0D
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50226457 (6-(3-(pyridin-3-yl)phenethyl)-2-amino-3-methylpyri...) Show SMILES Cn1c(N)nc(CCc2cccc(c2)-c2cccnc2)cc1=O Show InChI InChI=1S/C18H18N4O/c1-22-17(23)11-16(21-18(22)19)8-7-13-4-2-5-14(10-13)15-6-3-9-20-12-15/h2-6,9-12H,7-8H2,1H3,(H2,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of BACE1 by IGEN assay				J Med Chem 50: 5912-25 (2007) Article DOI: 10.1021/jm070829p BindingDB Entry DOI: 10.7270/Q2B27V0D
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50226452 (2-amino-6-methyl-6-phenyl-5,6-dihydropyrimidin-4(3...) Show SMILES CC1(CC(=O)NC(N)=N1)c1ccccc1 |c:7| Show InChI InChI=1S/C11H13N3O/c1-11(8-5-3-2-4-6-8)7-9(15)13-10(12)14-11/h2-6H,7H2,1H3,(H3,12,13,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of BACE1 by FRET assay				J Med Chem 50: 5912-25 (2007) Article DOI: 10.1021/jm070829p BindingDB Entry DOI: 10.7270/Q2B27V0D
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50226446 (2-amino-3-methyl-6-phenethyl-3H-pyrimidin-4-one | ...) Show SMILES Cn1c(N)nc(CCc2ccccc2)cc1=O Show InChI InChI=1S/C13H15N3O/c1-16-12(17)9-11(15-13(16)14)8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of BACE1 by FRET assay				J Med Chem 50: 5912-25 (2007) Article DOI: 10.1021/jm070829p BindingDB Entry DOI: 10.7270/Q2B27V0D
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50226451 (2-amino-6-(3,4-dichlorophenyl)-5,6-dihydropyrimidi...) Show SMILES NC1=NC(CC(=O)N1)c1ccc(Cl)c(Cl)c1 |t:1| Show InChI InChI=1S/C10H9Cl2N3O/c11-6-2-1-5(3-7(6)12)8-4-9(16)15-10(13)14-8/h1-3,8H,4H2,(H3,13,14,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of BACE1 by SPR assay				J Med Chem 50: 5912-25 (2007) Article DOI: 10.1021/jm070829p BindingDB Entry DOI: 10.7270/Q2B27V0D
					More data for this Ligand-Target Pair