Compile Data Set for Download or QSAR

Found 200 hits Enz. Inhib. hit(s) with all data for entry = 50032455   

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))	BDBM50329554 ((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(4-...) Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CCCO |r,c:3| Show InChI InChI=1S/C21H19F2N3O3/c1-26-18(28)21(25-20(26)24,15-8-10-17(11-9-15)29-19(22)23)16-7-4-6-14(13-16)5-2-3-12-27/h4,6-11,13,19,27H,3,12H2,1H3,(H2,24,25)/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	10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET assay				Bioorg Med Chem Lett 20: 6597-605 (2010) Article DOI: 10.1016/j.bmcl.2010.09.029 BindingDB Entry DOI: 10.7270/Q2C829JF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50303727 ((4R)-2-amino-4-(4-fluoro-3-(2-fluoropyridin-3-yl)p...) Show SMILES COc1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)c1ccc(F)c(c1)-c1cccnc1F |r,t:11| Show InChI InChI=1S/C23H20F2N4O2/c1-13-11-14(7-9-19(13)31-3)23(21(30)29(2)22(26)28-23)15-6-8-18(24)17(12-15)16-5-4-10-27-20(16)25/h4-12H,1-3H3,(H2,26,28)/t23-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET assay				Bioorg Med Chem Lett 20: 6597-605 (2010) Article DOI: 10.1016/j.bmcl.2010.09.029 BindingDB Entry DOI: 10.7270/Q2C829JF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50329546 ((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(3-...) Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CCF |r,c:3| Show InChI InChI=1S/C20H16F3N3O2/c1-26-17(27)20(25-19(26)24,14-7-9-16(10-8-14)28-18(22)23)15-6-2-4-13(12-15)5-3-11-21/h2,4,6-10,12,18H,11H2,1H3,(H2,24,25)/t20-/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	10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET assay				Bioorg Med Chem Lett 20: 6597-605 (2010) Article DOI: 10.1016/j.bmcl.2010.09.029 BindingDB Entry DOI: 10.7270/Q2C829JF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50329556 ((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(6-...) Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CCCCCO |r,c:3| Show InChI InChI=1S/C23H23F2N3O3/c1-28-20(30)23(27-22(28)26,17-10-12-19(13-11-17)31-21(24)25)18-9-6-8-16(15-18)7-4-2-3-5-14-29/h6,8-13,15,21,29H,2-3,5,14H2,1H3,(H2,26,27)/t23-/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	10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET assay				Bioorg Med Chem Lett 20: 6597-605 (2010) Article DOI: 10.1016/j.bmcl.2010.09.029 BindingDB Entry DOI: 10.7270/Q2C829JF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50329547 ((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(4-...) Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CCCF |r,c:3| Show InChI InChI=1S/C21H18F3N3O2/c1-27-18(28)21(26-20(27)25,15-8-10-17(11-9-15)29-19(23)24)16-7-4-6-14(13-16)5-2-3-12-22/h4,6-11,13,19H,3,12H2,1H3,(H2,25,26)/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	10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET assay				Bioorg Med Chem Lett 20: 6597-605 (2010) Article DOI: 10.1016/j.bmcl.2010.09.029 BindingDB Entry DOI: 10.7270/Q2C829JF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50329517 ((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(2-...) Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)-c1cccnc1F |r,c:3| Show InChI InChI=1S/C22H17F3N4O2/c1-29-19(30)22(28-21(29)26,14-7-9-16(10-8-14)31-20(24)25)15-5-2-4-13(12-15)17-6-3-11-27-18(17)23/h2-12,20H,1H3,(H2,26,28)/t22-/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	10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET assay				Bioorg Med Chem Lett 20: 6597-605 (2010) Article DOI: 10.1016/j.bmcl.2010.09.029 BindingDB Entry DOI: 10.7270/Q2C829JF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50329565 ((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(3,...) Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(OCCC(F)F)c1 |r,c:3| Show InChI InChI=1S/C20H19F4N3O3/c1-27-17(28)20(26-19(27)25,12-5-7-14(8-6-12)30-18(23)24)13-3-2-4-15(11-13)29-10-9-16(21)22/h2-8,11,16,18H,9-10H2,1H3,(H2,25,26)/t20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET assay				Bioorg Med Chem Lett 20: 6597-605 (2010) Article DOI: 10.1016/j.bmcl.2010.09.029 BindingDB Entry DOI: 10.7270/Q2C829JF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50329558 ((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(4-flu...) Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1ccc(F)c(OCCCF)c1 |r,c:3| Show InChI InChI=1S/C20H19F4N3O3/c1-27-17(28)20(26-19(27)25,12-3-6-14(7-4-12)30-18(23)24)13-5-8-15(22)16(11-13)29-10-2-9-21/h3-8,11,18H,2,9-10H2,1H3,(H2,25,26)/t20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET assay				Bioorg Med Chem Lett 20: 6597-605 (2010) Article DOI: 10.1016/j.bmcl.2010.09.029 BindingDB Entry DOI: 10.7270/Q2C829JF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50329571 ((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(4-flu...) Show SMILES COCC#Cc1cc(ccc1F)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 |r,t:14| Show InChI InChI=1S/C21H18F3N3O3/c1-27-18(28)21(26-20(27)25,14-5-8-16(9-6-14)30-19(23)24)15-7-10-17(22)13(12-15)4-3-11-29-2/h5-10,12,19H,11H2,1-2H3,(H2,25,26)/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	12	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET assay				Bioorg Med Chem Lett 20: 6597-605 (2010) Article DOI: 10.1016/j.bmcl.2010.09.029 BindingDB Entry DOI: 10.7270/Q2C829JF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50329568 ((R)-2-amino-4-(4-(difluoromethoxy)-3-methylphenyl)...) Show SMILES COCC#Cc1cc(ccc1F)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)c(C)c1 |r,t:14| Show InChI InChI=1S/C22H20F3N3O3/c1-13-11-15(7-9-18(13)31-20(24)25)22(19(29)28(2)21(26)27-22)16-6-8-17(23)14(12-16)5-4-10-30-3/h6-9,11-12,20H,10H2,1-3H3,(H2,26,27)/t22-/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	13	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET assay				Bioorg Med Chem Lett 20: 6597-605 (2010) Article DOI: 10.1016/j.bmcl.2010.09.029 BindingDB Entry DOI: 10.7270/Q2C829JF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50329576 ((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(4-flu...) Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1ccc(F)c(c1)C#CCCCF |r,c:3| Show InChI InChI=1S/C22H19F4N3O2/c1-29-19(30)22(28-21(29)27,15-6-9-17(10-7-15)31-20(25)26)16-8-11-18(24)14(13-16)5-3-2-4-12-23/h6-11,13,20H,2,4,12H2,1H3,(H2,27,28)/t22-/m1/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	14	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET assay				Bioorg Med Chem Lett 20: 6597-605 (2010) Article DOI: 10.1016/j.bmcl.2010.09.029 BindingDB Entry DOI: 10.7270/Q2C829JF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50329573 ((S)-2-amino-4-(3-(cyclopropylethynyl)phenyl)-4-(4-...) Show SMILES CN1C(N)=N[C@@](C1=O)(c1cccc(c1)C#CC1CC1)c1ccc(OC(F)F)c(C)c1 |r,c:3| Show InChI InChI=1S/C23H21F2N3O2/c1-14-12-18(10-11-19(14)30-21(24)25)23(20(29)28(2)22(26)27-23)17-5-3-4-16(13-17)9-8-15-6-7-15/h3-5,10-13,15,21H,6-7H2,1-2H3,(H2,26,27)/t23-/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	15	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET assay				Bioorg Med Chem Lett 20: 6597-605 (2010) Article DOI: 10.1016/j.bmcl.2010.09.029 BindingDB Entry DOI: 10.7270/Q2C829JF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50329535 ((R,E)-2-amino-4-(3-(2-cyclopropyl-1-fluorovinyl)ph...) Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C(\F)=C/C1CC1 |r,c:3| Show InChI InChI=1S/C22H20F3N3O2/c1-28-19(29)22(27-21(28)26,15-7-9-17(10-8-15)30-20(24)25)16-4-2-3-14(12-16)18(23)11-13-5-6-13/h2-4,7-13,20H,5-6H2,1H3,(H2,26,27)/b18-11+/t22-/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	20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET assay				Bioorg Med Chem Lett 20: 6597-605 (2010) Article DOI: 10.1016/j.bmcl.2010.09.029 BindingDB Entry DOI: 10.7270/Q2C829JF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50329549 ((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-1-methyl...) Show SMILES CC(C)C#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 |r,t:13| Show InChI InChI=1S/C22H21F2N3O2/c1-14(2)7-8-15-5-4-6-17(13-15)22(19(28)27(3)21(25)26-22)16-9-11-18(12-10-16)29-20(23)24/h4-6,9-14,20H,1-3H3,(H2,25,26)/t22-/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	20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET assay				Bioorg Med Chem Lett 20: 6597-605 (2010) Article DOI: 10.1016/j.bmcl.2010.09.029 BindingDB Entry DOI: 10.7270/Q2C829JF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50329553 ((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(4-...) Show SMILES COCCC#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 |r,t:14| Show InChI InChI=1S/C22H21F2N3O3/c1-27-19(28)22(26-21(27)25,16-9-11-18(12-10-16)30-20(23)24)17-8-5-7-15(14-17)6-3-4-13-29-2/h5,7-12,14,20H,4,13H2,1-2H3,(H2,25,26)/t22-/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	20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET assay				Bioorg Med Chem Lett 20: 6597-605 (2010) Article DOI: 10.1016/j.bmcl.2010.09.029 BindingDB Entry DOI: 10.7270/Q2C829JF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50329550 ((R)-2-amino-4-(3-(cyclopropylethynyl)phenyl)-4-(4-...) Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CC1CC1 |r,c:3| Show InChI InChI=1S/C22H19F2N3O2/c1-27-19(28)22(26-21(27)25,16-9-11-18(12-10-16)29-20(23)24)17-4-2-3-15(13-17)8-7-14-5-6-14/h2-4,9-14,20H,5-6H2,1H3,(H2,25,26)/t22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET assay				Bioorg Med Chem Lett 20: 6597-605 (2010) Article DOI: 10.1016/j.bmcl.2010.09.029 BindingDB Entry DOI: 10.7270/Q2C829JF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50329555 ((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-((R...) Show SMILES C[C@@H](O)C#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 |r,t:13| Show InChI InChI=1S/C21H19F2N3O3/c1-13(27)6-7-14-4-3-5-16(12-14)21(18(28)26(2)20(24)25-21)15-8-10-17(11-9-15)29-19(22)23/h3-5,8-13,19,27H,1-2H3,(H2,24,25)/t13-,21-/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	20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET assay				Bioorg Med Chem Lett 20: 6597-605 (2010) Article DOI: 10.1016/j.bmcl.2010.09.029 BindingDB Entry DOI: 10.7270/Q2C829JF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50303731 ((5R)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3...) Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)(F)F)cc1)c1ccc(F)c(c1)-c1cncnc1 |r,c:3| Show InChI InChI=1S/C21H15F4N5O2/c1-30-18(31)20(29-19(30)26,13-2-5-15(6-3-13)32-21(23,24)25)14-4-7-17(22)16(8-14)12-9-27-11-28-10-12/h2-11H,1H3,(H2,26,29)/t20-/m1/s1	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	20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET assay				Bioorg Med Chem Lett 20: 6597-605 (2010) Article DOI: 10.1016/j.bmcl.2010.09.029 BindingDB Entry DOI: 10.7270/Q2C829JF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50329537 ((R,E)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(...) Show SMILES COC\C=C\c1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 |r,t:13| Show InChI InChI=1S/C21H21F2N3O3/c1-26-18(27)21(25-20(26)24,15-8-10-17(11-9-15)29-19(22)23)16-7-3-5-14(13-16)6-4-12-28-2/h3-11,13,19H,12H2,1-2H3,(H2,24,25)/b6-4+/t21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET assay				Bioorg Med Chem Lett 20: 6597-605 (2010) Article DOI: 10.1016/j.bmcl.2010.09.029 BindingDB Entry DOI: 10.7270/Q2C829JF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50329538 ((R,E)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(...) Show SMILES COCC\C=C\c1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 |r,t:14| Show InChI InChI=1S/C22H23F2N3O3/c1-27-19(28)22(26-21(27)25,16-9-11-18(12-10-16)30-20(23)24)17-8-5-7-15(14-17)6-3-4-13-29-2/h3,5-12,14,20H,4,13H2,1-2H3,(H2,25,26)/b6-3+/t22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET assay				Bioorg Med Chem Lett 20: 6597-605 (2010) Article DOI: 10.1016/j.bmcl.2010.09.029 BindingDB Entry DOI: 10.7270/Q2C829JF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50329574 ((R)-2-amino-4-(4-(difluoromethoxy)-3-methylphenyl)...) Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)c(C)c1)c1ccc(F)c(c1)C#CCF |r,c:3| Show InChI InChI=1S/C21H17F4N3O2/c1-12-10-14(6-8-17(12)30-19(24)25)21(18(29)28(2)20(26)27-21)15-5-7-16(23)13(11-15)4-3-9-22/h5-8,10-11,19H,9H2,1-2H3,(H2,26,27)/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	20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET assay				Bioorg Med Chem Lett 20: 6597-605 (2010) Article DOI: 10.1016/j.bmcl.2010.09.029 BindingDB Entry DOI: 10.7270/Q2C829JF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50329561 ((R)-2-amino-4-(3-(cyclopropylmethoxy)phenyl)-4-(4-...) Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(OCC2CC2)c1 |r,c:3| Show InChI InChI=1S/C21H21F2N3O3/c1-26-18(27)21(25-20(26)24,14-7-9-16(10-8-14)29-19(22)23)15-3-2-4-17(11-15)28-12-13-5-6-13/h2-4,7-11,13,19H,5-6,12H2,1H3,(H2,24,25)/t21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET assay				Bioorg Med Chem Lett 20: 6597-605 (2010) Article DOI: 10.1016/j.bmcl.2010.09.029 BindingDB Entry DOI: 10.7270/Q2C829JF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50329552 ((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(3-...) Show SMILES COCC#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 |r,t:13| Show InChI InChI=1S/C21H19F2N3O3/c1-26-18(27)21(25-20(26)24,15-8-10-17(11-9-15)29-19(22)23)16-7-3-5-14(13-16)6-4-12-28-2/h3,5,7-11,13,19H,12H2,1-2H3,(H2,24,25)/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	20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET assay				Bioorg Med Chem Lett 20: 6597-605 (2010) Article DOI: 10.1016/j.bmcl.2010.09.029 BindingDB Entry DOI: 10.7270/Q2C829JF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50329569 ((R)-2-amino-4-(3-(cyclopropylethynyl)-4-fluorophen...) Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1ccc(F)c(c1)C#CC1CC1 |r,c:3| Show InChI InChI=1S/C22H18F3N3O2/c1-28-19(29)22(27-21(28)26,15-6-9-17(10-7-15)30-20(24)25)16-8-11-18(23)14(12-16)5-4-13-2-3-13/h6-13,20H,2-3H2,1H3,(H2,26,27)/t22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET assay				Bioorg Med Chem Lett 20: 6597-605 (2010) Article DOI: 10.1016/j.bmcl.2010.09.029 BindingDB Entry DOI: 10.7270/Q2C829JF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50329570 ((R)-2-amino-4-(3-(cyclopropylethynyl)-4-fluorophen...) Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)c(C)c1)c1ccc(F)c(c1)C#CC1CC1 |r,c:3| Show InChI InChI=1S/C23H20F3N3O2/c1-13-11-16(8-10-19(13)31-21(25)26)23(20(30)29(2)22(27)28-23)17-7-9-18(24)15(12-17)6-5-14-3-4-14/h7-12,14,21H,3-4H2,1-2H3,(H2,27,28)/t23-/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	21	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET assay				Bioorg Med Chem Lett 20: 6597-605 (2010) Article DOI: 10.1016/j.bmcl.2010.09.029 BindingDB Entry DOI: 10.7270/Q2C829JF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50329543 ((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-1-methyl...) Show SMILES CC#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 |r,t:11| Show InChI InChI=1S/C20H17F2N3O2/c1-3-5-13-6-4-7-15(12-13)20(17(26)25(2)19(23)24-20)14-8-10-16(11-9-14)27-18(21)22/h4,6-12,18H,1-2H3,(H2,23,24)/t20-/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	22	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET assay				Bioorg Med Chem Lett 20: 6597-605 (2010) Article DOI: 10.1016/j.bmcl.2010.09.029 BindingDB Entry DOI: 10.7270/Q2C829JF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50329575 ((R)-2-amino-4-(4-(difluoromethoxy)-3-methylphenyl)...) Show SMILES CCCC#Cc1cc(ccc1F)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)c(C)c1 |r,t:14| Show InChI InChI=1S/C23H22F3N3O2/c1-4-5-6-7-15-13-17(8-10-18(15)24)23(20(30)29(3)22(27)28-23)16-9-11-19(14(2)12-16)31-21(25)26/h8-13,21H,4-5H2,1-3H3,(H2,27,28)/t23-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET assay				Bioorg Med Chem Lett 20: 6597-605 (2010) Article DOI: 10.1016/j.bmcl.2010.09.029 BindingDB Entry DOI: 10.7270/Q2C829JF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50329566 ((R)-2-amino-4-(3-(4,4-difluorobut-3-enyloxy)-4-flu...) Show SMILES [#6]-[#7]-1-[#6](-[#7])=[#7][C@]([#6]-1=O)(c1ccc(-[#8]-[#6](F)F)cc1)c1ccc(F)c(-[#8]-[#6]-[#6]\[#6]=[#6](\F)F)c1 |r,c:3| Show InChI InChI=1S/C21H18F5N3O3/c1-29-18(30)21(28-20(29)27,12-4-7-14(8-5-12)32-19(25)26)13-6-9-15(22)16(11-13)31-10-2-3-17(23)24/h3-9,11,19H,2,10H2,1H3,(H2,27,28)/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	30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET assay				Bioorg Med Chem Lett 20: 6597-605 (2010) Article DOI: 10.1016/j.bmcl.2010.09.029 BindingDB Entry DOI: 10.7270/Q2C829JF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50329563 ((R)-2-amino-4-(3-(2,2-difluoroethoxy)phenyl)-4-(4-...) Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(OCC(F)F)c1 |r,c:3| Show InChI InChI=1S/C19H17F4N3O3/c1-26-16(27)19(25-18(26)24,11-5-7-13(8-6-11)29-17(22)23)12-3-2-4-14(9-12)28-10-15(20)21/h2-9,15,17H,10H2,1H3,(H2,24,25)/t19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET assay				Bioorg Med Chem Lett 20: 6597-605 (2010) Article DOI: 10.1016/j.bmcl.2010.09.029 BindingDB Entry DOI: 10.7270/Q2C829JF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50329519 ((R)-2-amino-4-(3-(2-fluoropyridin-3-yl)phenyl)-4-(...) Show SMILES COc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F |r,t:10| Show InChI InChI=1S/C22H19FN4O2/c1-27-20(28)22(26-21(27)24,15-8-10-17(29-2)11-9-15)16-6-3-5-14(13-16)18-7-4-12-25-19(18)23/h3-13H,1-2H3,(H2,24,26)/t22-/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	30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET assay				Bioorg Med Chem Lett 20: 6597-605 (2010) Article DOI: 10.1016/j.bmcl.2010.09.029 BindingDB Entry DOI: 10.7270/Q2C829JF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50329567 ((R)-2-amino-4-(3-(4,4-difluorobut-3-enyloxy)phenyl...) Show SMILES [#6]-[#7]-1-[#6](-[#7])=[#7][C@]([#6]-1=O)(c1ccc(-[#8]-[#6](F)F)cc1)c1cccc(-[#8]-[#6]-[#6]\[#6]=[#6](\F)F)c1 |r,c:3| Show InChI InChI=1S/C21H19F4N3O3/c1-28-18(29)21(27-20(28)26,13-7-9-15(10-8-13)31-19(24)25)14-4-2-5-16(12-14)30-11-3-6-17(22)23/h2,4-10,12,19H,3,11H2,1H3,(H2,26,27)/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	30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET assay				Bioorg Med Chem Lett 20: 6597-605 (2010) Article DOI: 10.1016/j.bmcl.2010.09.029 BindingDB Entry DOI: 10.7270/Q2C829JF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50329525 ((R)-2-amino-4-(3-butylphenyl)-4-(4-(difluoromethox...) Show SMILES CCCCc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 |r,t:12| Show InChI InChI=1S/C21H23F2N3O2/c1-3-4-6-14-7-5-8-16(13-14)21(18(27)26(2)20(24)25-21)15-9-11-17(12-10-15)28-19(22)23/h5,7-13,19H,3-4,6H2,1-2H3,(H2,24,25)/t21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET assay				Bioorg Med Chem Lett 20: 6597-605 (2010) Article DOI: 10.1016/j.bmcl.2010.09.029 BindingDB Entry DOI: 10.7270/Q2C829JF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50329520 ((R)-2-amino-4-(4-(2-fluoroethoxy)phenyl)-4-(3-(2-f...) Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OCCF)cc1)c1cccc(c1)-c1cccnc1F |r,c:3| Show InChI InChI=1S/C23H20F2N4O2/c1-29-21(30)23(28-22(29)26,16-7-9-18(10-8-16)31-13-11-24)17-5-2-4-15(14-17)19-6-3-12-27-20(19)25/h2-10,12,14H,11,13H2,1H3,(H2,26,28)/t23-/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	30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET assay				Bioorg Med Chem Lett 20: 6597-605 (2010) Article DOI: 10.1016/j.bmcl.2010.09.029 BindingDB Entry DOI: 10.7270/Q2C829JF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50329533 ((R,E)-2-amino-4-(3-(4,4-difluorobut-1-enyl)phenyl)...) Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(\C=C\CC(F)F)c1 |r,c:3| Show InChI InChI=1S/C21H19F4N3O2/c1-28-18(29)21(27-20(28)26,14-8-10-16(11-9-14)30-19(24)25)15-6-2-4-13(12-15)5-3-7-17(22)23/h2-6,8-12,17,19H,7H2,1H3,(H2,26,27)/b5-3+/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	30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET assay				Bioorg Med Chem Lett 20: 6597-605 (2010) Article DOI: 10.1016/j.bmcl.2010.09.029 BindingDB Entry DOI: 10.7270/Q2C829JF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50329545 ((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-1-methyl...) Show SMILES CCCC#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 |r,t:13| Show InChI InChI=1S/C22H21F2N3O2/c1-3-4-5-7-15-8-6-9-17(14-15)22(19(28)27(2)21(25)26-22)16-10-12-18(13-11-16)29-20(23)24/h6,8-14,20H,3-4H2,1-2H3,(H2,25,26)/t22-/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	30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET assay				Bioorg Med Chem Lett 20: 6597-605 (2010) Article DOI: 10.1016/j.bmcl.2010.09.029 BindingDB Entry DOI: 10.7270/Q2C829JF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50329541 ((R,E)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(...) Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(\C=C\CCCO)c1 |r,c:3| Show InChI InChI=1S/C22H23F2N3O3/c1-27-19(29)22(26-21(27)25,16-9-11-18(12-10-16)30-20(23)24)17-8-5-7-15(14-17)6-3-2-4-13-28/h3,5-12,14,20,28H,2,4,13H2,1H3,(H2,25,26)/b6-3+/t22-/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	40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET assay				Bioorg Med Chem Lett 20: 6597-605 (2010) Article DOI: 10.1016/j.bmcl.2010.09.029 BindingDB Entry DOI: 10.7270/Q2C829JF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50329532 ((R,E)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(...) Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(\C=C\CCF)c1 |r,c:3| Show InChI InChI=1S/C21H20F3N3O2/c1-27-18(28)21(26-20(27)25,15-8-10-17(11-9-15)29-19(23)24)16-7-4-6-14(13-16)5-2-3-12-22/h2,4-11,13,19H,3,12H2,1H3,(H2,25,26)/b5-2+/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	40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET assay				Bioorg Med Chem Lett 20: 6597-605 (2010) Article DOI: 10.1016/j.bmcl.2010.09.029 BindingDB Entry DOI: 10.7270/Q2C829JF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50329548 ((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(6-...) Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CCCCCF |r,c:3| Show InChI InChI=1S/C23H22F3N3O2/c1-29-20(30)23(28-22(29)27,17-10-12-19(13-11-17)31-21(25)26)18-9-6-8-16(15-18)7-4-2-3-5-14-24/h6,8-13,15,21H,2-3,5,14H2,1H3,(H2,27,28)/t23-/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	40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET assay				Bioorg Med Chem Lett 20: 6597-605 (2010) Article DOI: 10.1016/j.bmcl.2010.09.029 BindingDB Entry DOI: 10.7270/Q2C829JF
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50329549 ((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-1-methyl...) Show SMILES CC(C)C#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 |r,t:13| Show InChI InChI=1S/C22H21F2N3O2/c1-14(2)7-8-15-5-4-6-17(13-15)22(19(28)27(3)21(25)26-22)16-9-11-18(12-10-16)29-20(23)24/h4-6,9-14,20H,1-3H3,(H2,25,26)/t22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of BACE2 by FRET assay				Bioorg Med Chem Lett 20: 6597-605 (2010) Article DOI: 10.1016/j.bmcl.2010.09.029 BindingDB Entry DOI: 10.7270/Q2C829JF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50329544 ((R)-2-amino-4-(3-(but-1-ynyl)phenyl)-4-(4-(difluor...) Show SMILES CCC#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 |r,t:12| Show InChI InChI=1S/C21H19F2N3O2/c1-3-4-6-14-7-5-8-16(13-14)21(18(27)26(2)20(24)25-21)15-9-11-17(12-10-15)28-19(22)23/h5,7-13,19H,3H2,1-2H3,(H2,24,25)/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	40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET assay				Bioorg Med Chem Lett 20: 6597-605 (2010) Article DOI: 10.1016/j.bmcl.2010.09.029 BindingDB Entry DOI: 10.7270/Q2C829JF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50329577 ((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(4-flu...) Show SMILES CC#Cc1cc(ccc1F)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 |r,t:12| Show InChI InChI=1S/C20H16F3N3O2/c1-3-4-12-11-14(7-10-16(12)21)20(17(27)26(2)19(24)25-20)13-5-8-15(9-6-13)28-18(22)23/h5-11,18H,1-2H3,(H2,24,25)/t20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET assay				Bioorg Med Chem Lett 20: 6597-605 (2010) Article DOI: 10.1016/j.bmcl.2010.09.029 BindingDB Entry DOI: 10.7270/Q2C829JF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50329529 ((R)-4-(3-(2-amino-4-(4-(difluoromethoxy)phenyl)-1-...) Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(CCCC#N)c1 |r,c:3| Show InChI InChI=1S/C21H20F2N4O2/c1-27-18(28)21(26-20(27)25,15-8-10-17(11-9-15)29-19(22)23)16-7-4-6-14(13-16)5-2-3-12-24/h4,6-11,13,19H,2-3,5H2,1H3,(H2,25,26)/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	50	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET assay				Bioorg Med Chem Lett 20: 6597-605 (2010) Article DOI: 10.1016/j.bmcl.2010.09.029 BindingDB Entry DOI: 10.7270/Q2C829JF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50329539 ((R,E)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(...) Show SMILES COCCC\C=C\c1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 |r,t:15| Show InChI InChI=1S/C23H25F2N3O3/c1-28-20(29)23(27-22(28)26,17-10-12-19(13-11-17)31-21(24)25)18-9-6-8-16(15-18)7-4-3-5-14-30-2/h4,6-13,15,21H,3,5,14H2,1-2H3,(H2,26,27)/b7-4+/t23-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET assay				Bioorg Med Chem Lett 20: 6597-605 (2010) Article DOI: 10.1016/j.bmcl.2010.09.029 BindingDB Entry DOI: 10.7270/Q2C829JF
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50329573 ((S)-2-amino-4-(3-(cyclopropylethynyl)phenyl)-4-(4-...) Show SMILES CN1C(N)=N[C@@](C1=O)(c1cccc(c1)C#CC1CC1)c1ccc(OC(F)F)c(C)c1 |r,c:3| Show InChI InChI=1S/C23H21F2N3O2/c1-14-12-18(10-11-19(14)30-21(24)25)23(20(29)28(2)22(26)27-23)17-5-3-4-16(13-17)9-8-15-6-7-15/h3-5,10-13,15,21H,6-7H2,1-2H3,(H2,26,27)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of BACE2 by FRET assay				Bioorg Med Chem Lett 20: 6597-605 (2010) Article DOI: 10.1016/j.bmcl.2010.09.029 BindingDB Entry DOI: 10.7270/Q2C829JF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50329540 ((R,E)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(...) Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(\C=C\CCO)c1 |r,c:3| Show InChI InChI=1S/C21H21F2N3O3/c1-26-18(28)21(25-20(26)24,15-8-10-17(11-9-15)29-19(22)23)16-7-4-6-14(13-16)5-2-3-12-27/h2,4-11,13,19,27H,3,12H2,1H3,(H2,24,25)/b5-2+/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	50	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET assay				Bioorg Med Chem Lett 20: 6597-605 (2010) Article DOI: 10.1016/j.bmcl.2010.09.029 BindingDB Entry DOI: 10.7270/Q2C829JF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50329528 ((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-1-methyl...) Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(CCCC(F)(F)F)c1 |r,c:3| Show InChI InChI=1S/C21H20F5N3O2/c1-29-17(30)21(28-19(29)27,14-7-9-16(10-8-14)31-18(22)23)15-6-2-4-13(12-15)5-3-11-20(24,25)26/h2,4,6-10,12,18H,3,5,11H2,1H3,(H2,27,28)/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	60	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET assay				Bioorg Med Chem Lett 20: 6597-605 (2010) Article DOI: 10.1016/j.bmcl.2010.09.029 BindingDB Entry DOI: 10.7270/Q2C829JF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50329515 ((R)-2-amino-4-(3-(2-fluoropyridin-3-yl)phenyl)-1-m...) Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F |r,c:3| Show InChI InChI=1S/C22H16F4N4O2/c1-30-19(31)21(29-20(30)27,14-7-9-16(10-8-14)32-22(24,25)26)15-5-2-4-13(12-15)17-6-3-11-28-18(17)23/h2-12H,1H3,(H2,27,29)/t21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET assay				Bioorg Med Chem Lett 20: 6597-605 (2010) Article DOI: 10.1016/j.bmcl.2010.09.029 BindingDB Entry DOI: 10.7270/Q2C829JF
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50329550 ((R)-2-amino-4-(3-(cyclopropylethynyl)phenyl)-4-(4-...) Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CC1CC1 |r,c:3| Show InChI InChI=1S/C22H19F2N3O2/c1-27-19(28)22(26-21(27)25,16-9-11-18(12-10-16)29-20(23)24)17-4-2-3-15(13-17)8-7-14-5-6-14/h2-4,9-14,20H,5-6H2,1H3,(H2,25,26)/t22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of BACE2 by FRET assay				Bioorg Med Chem Lett 20: 6597-605 (2010) Article DOI: 10.1016/j.bmcl.2010.09.029 BindingDB Entry DOI: 10.7270/Q2C829JF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50329564 ((R)-2-amino-4-(3-(2,2-difluoroethoxy)-4-fluorophen...) Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1ccc(F)c(OCC(F)F)c1 |r,c:3| Show InChI InChI=1S/C19H16F5N3O3/c1-27-16(28)19(26-18(27)25,10-2-5-12(6-3-10)30-17(23)24)11-4-7-13(20)14(8-11)29-9-15(21)22/h2-8,15,17H,9H2,1H3,(H2,25,26)/t19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET assay				Bioorg Med Chem Lett 20: 6597-605 (2010) Article DOI: 10.1016/j.bmcl.2010.09.029 BindingDB Entry DOI: 10.7270/Q2C829JF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50329572 ((R)-2-amino-4-(3-(2,2-difluoroethoxy)-4-fluorophen...) Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)c(C)c1)c1ccc(F)c(OCC(F)F)c1 |r,c:3| Show InChI InChI=1S/C20H18F5N3O3/c1-10-7-11(4-6-14(10)31-18(24)25)20(17(29)28(2)19(26)27-20)12-3-5-13(21)15(8-12)30-9-16(22)23/h3-8,16,18H,9H2,1-2H3,(H2,26,27)/t20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET assay				Bioorg Med Chem Lett 20: 6597-605 (2010) Article DOI: 10.1016/j.bmcl.2010.09.029 BindingDB Entry DOI: 10.7270/Q2C829JF
					More data for this Ligand-Target Pair

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