Compile Data Set for Download or QSAR

Found 45 hits Enz. Inhib. hit(s) with all data for entry = 5963   

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))	BDBM102939 (US8541427, 10) Show SMILES COc1nc(nc(OC)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccc(F)cc1F |r,c:20| Show InChI InChI=1S/C19H19F3N6O3/c1-27-16(29)11-7-28(18-24-14(30-2)13(22)15(25-18)31-3)8-19(11,26-17(27)23)10-5-4-9(20)6-12(10)21/h4-6,11H,7-8H2,1-3H3,(H2,23,26)/t11-,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.80	-50.7	7.5	n/a	n/a	n/a	n/a	n/a	30
Merck, Sharp & Dohme, Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay was used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. The assay monit...				US Patent US8541427 (2013) BindingDB Entry DOI: 10.7270/Q26D5RN4
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM102967 (US8541427, 38) Show SMILES COc1nc(nc(C2CC2)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccc(F)cc1F |r,c:22| Show InChI InChI=1S/C21H21F3N6O2/c1-29-18(31)13-8-30(20-26-16(10-3-4-10)15(24)17(27-20)32-2)9-21(13,28-19(29)25)12-6-5-11(22)7-14(12)23/h5-7,10,13H,3-4,8-9H2,1-2H3,(H2,25,28)/t13-,21+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.70	-49.7	31	n/a	n/a	n/a	n/a	n/a	30
Merck, Sharp & Dohme, Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay was used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. The assay monit...				US Patent US8541427 (2013) BindingDB Entry DOI: 10.7270/Q26D5RN4
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM102956 (US8541427, 27) Show SMILES COc1nc(nc(OC)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccc(F)cc1 |r,c:20| Show InChI InChI=1S/C19H20F2N6O3/c1-26-16(28)12-8-27(18-23-14(29-2)13(21)15(24-18)30-3)9-19(12,25-17(26)22)10-4-6-11(20)7-5-10/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	US Patent	4.40	-48.5	61.5	n/a	n/a	n/a	n/a	n/a	30
Merck, Sharp & Dohme, Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay was used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. The assay monit...				US Patent US8541427 (2013) BindingDB Entry DOI: 10.7270/Q26D5RN4
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM102949 (US8541427, 20) Show SMILES COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccc(F)cc1Cl |r,c:19| Show InChI InChI=1S/C19H19ClF2N6O2/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(21)6-13(11)20/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	US Patent	4.5	-48.4	9.5	n/a	n/a	n/a	n/a	n/a	30
Merck, Sharp & Dohme, Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay was used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. The assay monit...				US Patent US8541427 (2013) BindingDB Entry DOI: 10.7270/Q26D5RN4
					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	US Patent	4.70	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp & Dohme, Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay was used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. The assay monit...				US Patent US8541427 (2013) BindingDB Entry DOI: 10.7270/Q26D5RN4
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM102950 (US8541427, 21) Show SMILES COc1nc(nc(C2CC2)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccc(F)cc1 |r,c:22| Show InChI InChI=1S/C21H22F2N6O2/c1-28-18(30)14-9-29(20-25-16(11-3-4-11)15(23)17(26-20)31-2)10-21(14,27-19(28)24)12-5-7-13(22)8-6-12/h5-8,11,14H,3-4,9-10H2,1-2H3,(H2,24,27)/t14-,21+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.80	-48.3	50	n/a	n/a	n/a	n/a	n/a	30
Merck, Sharp & Dohme, Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay was used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. The assay monit...				US Patent US8541427 (2013) BindingDB Entry DOI: 10.7270/Q26D5RN4
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM102961 (US8541427, 32) Show SMILES CCc1nc(nc(OC)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccc(F)cc1F |r,c:20| Show InChI InChI=1S/C20H21F3N6O2/c1-4-14-15(23)16(31-3)26-19(25-14)29-8-12-17(30)28(2)18(24)27-20(12,9-29)11-6-5-10(21)7-13(11)22/h5-7,12H,4,8-9H2,1-3H3,(H2,24,27)/t12-,20+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5.30	-48.0	26	n/a	n/a	n/a	n/a	n/a	30
Merck, Sharp & Dohme, Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay was used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. The assay monit...				US Patent US8541427 (2013) BindingDB Entry DOI: 10.7270/Q26D5RN4
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM102951 (US8541427, 22) Show SMILES CCc1nc(nc(OC)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1cc(F)c(F)cc1F |r,c:20| Show InChI InChI=1S/C20H20F4N6O2/c1-4-14-15(24)16(32-3)27-19(26-14)30-7-10-17(31)29(2)18(25)28-20(10,8-30)9-5-12(22)13(23)6-11(9)21/h5-6,10H,4,7-8H2,1-3H3,(H2,25,28)/t10-,20+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5.60	-47.9	18	n/a	n/a	n/a	n/a	n/a	30
Merck, Sharp & Dohme, Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay was used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. The assay monit...				US Patent US8541427 (2013) BindingDB Entry DOI: 10.7270/Q26D5RN4
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM102938 (US8541427, 9) Show SMILES COc1nc(nc(OC)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1cc(F)ccc1F |r,c:20| Show InChI InChI=1S/C19H19F3N6O3/c1-27-16(29)11-7-28(18-24-14(30-2)13(22)15(25-18)31-3)8-19(11,26-17(27)23)10-6-9(20)4-5-12(10)21/h4-6,11H,7-8H2,1-3H3,(H2,23,26)/t11-,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5.60	-47.9	66	n/a	n/a	n/a	n/a	n/a	30
Merck, Sharp & Dohme, Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay was used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. The assay monit...				US Patent US8541427 (2013) BindingDB Entry DOI: 10.7270/Q26D5RN4
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM102963 (US8541427, 34) Show SMILES COc1nc(nc(C2CC2)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1cc(F)ccc1F |r,c:22| Show InChI InChI=1S/C21H21F3N6O2/c1-29-18(31)13-8-30(20-26-16(10-3-4-10)15(24)17(27-20)32-2)9-21(13,28-19(29)25)12-7-11(22)5-6-14(12)23/h5-7,10,13H,3-4,8-9H2,1-2H3,(H2,25,28)/t13-,21+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5.60	-47.9	86	n/a	n/a	n/a	n/a	n/a	30
Merck, Sharp & Dohme, Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay was used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. The assay monit...				US Patent US8541427 (2013) BindingDB Entry DOI: 10.7270/Q26D5RN4
					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	US Patent	6	-47.7	16.5	n/a	n/a	n/a	n/a	n/a	30
Merck, Sharp & Dohme, Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay was used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. The assay monit...				US Patent US8541427 (2013) BindingDB Entry DOI: 10.7270/Q26D5RN4
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM102959 (US8541427, 30) Show SMILES CCc1nc(nc(OC)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccc(F)cc1 |r,c:20| Show InChI InChI=1S/C20H22F2N6O2/c1-4-14-15(22)16(30-3)25-19(24-14)28-9-13-17(29)27(2)18(23)26-20(13,10-28)11-5-7-12(21)8-6-11/h5-8,13H,4,9-10H2,1-3H3,(H2,23,26)/t13-,20+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	6.10	-47.7	22	n/a	n/a	n/a	n/a	n/a	30
Merck, Sharp & Dohme, Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay was used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. The assay monit...				US Patent US8541427 (2013) BindingDB Entry DOI: 10.7270/Q26D5RN4
					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	US Patent	6.10	-47.7	25	n/a	n/a	n/a	n/a	n/a	30
Merck, Sharp & Dohme, Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay was used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. The assay monit...				US Patent US8541427 (2013) BindingDB Entry DOI: 10.7270/Q26D5RN4
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM102964 (US8541427, 35) Show SMILES COc1nc(nc(C2CC2)c1Cl)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1cc(F)ccc1F |r,c:22| Show InChI InChI=1S/C21H21ClF2N6O2/c1-29-18(31)13-8-30(20-26-16(10-3-4-10)15(22)17(27-20)32-2)9-21(13,28-19(29)25)12-7-11(23)5-6-14(12)24/h5-7,10,13H,3-4,8-9H2,1-2H3,(H2,25,28)/t13-,21+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	6.5	-47.5	90	n/a	n/a	n/a	n/a	n/a	30
Merck, Sharp & Dohme, Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay was used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. The assay monit...				US Patent US8541427 (2013) BindingDB Entry DOI: 10.7270/Q26D5RN4
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM102948 (US8541427, 19) Show SMILES COc1nc(nc(C2CC2)c1Cl)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccc(F)cc1F |r,c:22| Show InChI InChI=1S/C21H21ClF2N6O2/c1-29-18(31)13-8-30(20-26-16(10-3-4-10)15(22)17(27-20)32-2)9-21(13,28-19(29)25)12-6-5-11(23)7-14(12)24/h5-7,10,13H,3-4,8-9H2,1-2H3,(H2,25,28)/t13-,21+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	6.80	-47.4	117	n/a	n/a	n/a	n/a	n/a	30
Merck, Sharp & Dohme, Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay was used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. The assay monit...				US Patent US8541427 (2013) BindingDB Entry DOI: 10.7270/Q26D5RN4
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM102960 (US8541427, 31) Show SMILES CCc1nc(nc(OC)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1cc(F)ccc1F |r,c:20| Show InChI InChI=1S/C20H21F3N6O2/c1-4-14-15(23)16(31-3)26-19(25-14)29-8-12-17(30)28(2)18(24)27-20(12,9-29)11-7-10(21)5-6-13(11)22/h5-7,12H,4,8-9H2,1-3H3,(H2,24,27)/t12-,20+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	6.90	-47.4	31	n/a	n/a	n/a	n/a	n/a	30
Merck, Sharp & Dohme, Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay was used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. The assay monit...				US Patent US8541427 (2013) BindingDB Entry DOI: 10.7270/Q26D5RN4
					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	US Patent	7.30	-47.2	16	n/a	n/a	n/a	n/a	n/a	30
Merck, Sharp & Dohme, Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay was used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. The assay monit...				US Patent US8541427 (2013) BindingDB Entry DOI: 10.7270/Q26D5RN4
					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	US Patent	7.30	-47.2	23	n/a	n/a	n/a	n/a	n/a	30
Merck, Sharp & Dohme, Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay was used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. The assay monit...				US Patent US8541427 (2013) BindingDB Entry DOI: 10.7270/Q26D5RN4
					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	US Patent	7.70	-47.1	35	n/a	n/a	n/a	n/a	n/a	30
Merck, Sharp & Dohme, Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay was used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. The assay monit...				US Patent US8541427 (2013) BindingDB Entry DOI: 10.7270/Q26D5RN4
					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	US Patent	8.5	-46.8	28	n/a	n/a	n/a	n/a	n/a	30
Merck, Sharp & Dohme, Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay was used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. The assay monit...				US Patent US8541427 (2013) BindingDB Entry DOI: 10.7270/Q26D5RN4
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM9489 (US8541427, 2) Show SMILES COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(=N)N[C@]2(C1)c1cc(F)ccc1Cl |r| Show InChI InChI=1S/C19H19ClF2N6O2/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(21)4-5-13(11)20/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	US Patent	8.90	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp & Dohme, Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay was used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. The assay monit...				US Patent US8541427 (2013) BindingDB Entry DOI: 10.7270/Q26D5RN4
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM102968 (US8541427, 39 racemic) Show SMILES COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccc(F)c(Cl)c1F |r,c:19| Show InChI InChI=1S/C19H18ClF3N6O2/c1-8-13(22)15(31-3)26-18(25-8)29-6-10-16(30)28(2)17(24)27-19(10,7-29)9-4-5-11(21)12(20)14(9)23/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	US Patent	9.20	-46.6	40	n/a	n/a	n/a	n/a	n/a	30
Merck, Sharp & Dohme, Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay was used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. The assay monit...				US Patent US8541427 (2013) BindingDB Entry DOI: 10.7270/Q26D5RN4
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM102947 (US8541427, 18) Show SMILES COc1nc(nc(C)c1Cl)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccccc1F |r,c:19| Show InChI InChI=1S/C19H20ClFN6O2/c1-10-14(20)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)21/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	US Patent	9.30	-46.6	32	n/a	n/a	n/a	n/a	n/a	30
Merck, Sharp & Dohme, Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay was used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. The assay monit...				US Patent US8541427 (2013) BindingDB Entry DOI: 10.7270/Q26D5RN4
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM102971 (US8541427, 42) Show SMILES COc1nc(nc(c1F)C(C)(F)F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccc(F)cc1F |r,c:22| Show InChI InChI=1S/C20H19F5N6O2/c1-19(24,25)14-13(23)15(33-3)28-18(27-14)31-7-11-16(32)30(2)17(26)29-20(11,8-31)10-5-4-9(21)6-12(10)22/h4-6,11H,7-8H2,1-3H3,(H2,26,29)/t11-,20+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	11	-46.2	n/a	n/a	n/a	n/a	n/a	n/a	30
Merck, Sharp & Dohme, Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay was used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. The assay monit...				US Patent US8541427 (2013) BindingDB Entry DOI: 10.7270/Q26D5RN4
					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	US Patent	12	-46.0	38	n/a	n/a	n/a	n/a	n/a	30
Merck, Sharp & Dohme, Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay was used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. The assay monit...				US Patent US8541427 (2013) BindingDB Entry DOI: 10.7270/Q26D5RN4
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM9649 (US8541427, 3) Show SMILES COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(=N)N[C@]2(C1)c1cc(Cl)ccc1F |r| Show InChI InChI=1S/C19H19ClF2N6O2/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	US Patent	13	n/a	109	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp & Dohme, Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay was used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. The assay monit...				US Patent US8541427 (2013) BindingDB Entry DOI: 10.7270/Q26D5RN4
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM102965 (US8541427, 36) Show SMILES COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1cccc(c1)C#N |r,c:19| Show InChI InChI=1S/C20H20FN7O2/c1-11-15(21)16(30-3)25-19(24-11)28-9-14-17(29)27(2)18(23)26-20(14,10-28)13-6-4-5-12(7-13)8-22/h4-7,14H,9-10H2,1-3H3,(H2,23,26)/t14-,20+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	14	-45.6	63	n/a	n/a	n/a	n/a	n/a	30
Merck, Sharp & Dohme, Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay was used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. The assay monit...				US Patent US8541427 (2013) BindingDB Entry DOI: 10.7270/Q26D5RN4
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM102942 (US8541427, 13) Show SMILES COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1c(F)cc(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)13-11(21)4-9(20)5-12(13)22/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	US Patent	15	-45.4	21	n/a	n/a	n/a	n/a	n/a	30
Merck, Sharp & Dohme, Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay was used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. The assay monit...				US Patent US8541427 (2013) BindingDB Entry DOI: 10.7270/Q26D5RN4
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM102972 (US8541427, 43) Show SMILES COc1nc(nc(CO)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccc(F)cc1F |r,c:20| Show InChI InChI=1S/C19H19F3N6O3/c1-27-16(30)11-6-28(18-24-13(7-29)14(22)15(25-18)31-2)8-19(11,26-17(27)23)10-4-3-9(20)5-12(10)21/h3-5,11,29H,6-8H2,1-2H3,(H2,23,26)/t11-,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	16	-45.2	21	n/a	n/a	n/a	n/a	n/a	30
Merck, Sharp & Dohme, Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay was used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. The assay monit...				US Patent US8541427 (2013) BindingDB Entry DOI: 10.7270/Q26D5RN4
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM102935 (US8541427, 6 racemic) Show SMILES CCc1nc(nc(OC)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccccc1 |r,c:20| Show InChI InChI=1S/C20H23FN6O2/c1-4-14-15(21)16(29-3)24-19(23-14)27-10-13-17(28)26(2)18(22)25-20(13,11-27)12-8-6-5-7-9-12/h5-9,13H,4,10-11H2,1-3H3,(H2,22,25)/t13-,20+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	16	-45.2	144	n/a	n/a	n/a	n/a	n/a	30
Merck, Sharp & Dohme, Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay was used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. The assay monit...				US Patent US8541427 (2013) BindingDB Entry DOI: 10.7270/Q26D5RN4
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM102966 (US8541427, 37) Show SMILES CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1nc(C)c(F)c(n1)C1CC1)c1cc(F)ccc1F |r,c:3| Show InChI InChI=1S/C21H21F3N6O/c1-10-16(24)17(11-3-4-11)27-20(26-10)30-8-14-18(31)29(2)19(25)28-21(14,9-30)13-7-12(22)5-6-15(13)23/h5-7,11,14H,3-4,8-9H2,1-2H3,(H2,25,28)/t14-,21+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	26	-44.0	235	n/a	n/a	n/a	n/a	n/a	30
Merck, Sharp & Dohme, Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay was used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. The assay monit...				US Patent US8541427 (2013) BindingDB Entry DOI: 10.7270/Q26D5RN4
					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	US Patent	30	-43.7	93	n/a	n/a	n/a	n/a	n/a	30
Merck, Sharp & Dohme, Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay was used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. The assay monit...				US Patent US8541427 (2013) BindingDB Entry DOI: 10.7270/Q26D5RN4
					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	US Patent	32	-43.5	61	n/a	n/a	n/a	n/a	n/a	30
Merck, Sharp & Dohme, Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay was used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. The assay monit...				US Patent US8541427 (2013) BindingDB Entry DOI: 10.7270/Q26D5RN4
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM102970 (US8541427, 41) Show SMILES COc1nc(nc(c1F)C(F)(F)F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccc(F)cc1F |r,c:22| Show InChI InChI=1S/C19H16F6N6O2/c1-30-15(32)10-6-31(17-27-13(19(23,24)25)12(22)14(28-17)33-2)7-18(10,29-16(30)26)9-4-3-8(20)5-11(9)21/h3-5,10H,6-7H2,1-2H3,(H2,26,29)/t10-,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	32	-43.5	67	n/a	n/a	n/a	n/a	n/a	30
Merck, Sharp & Dohme, Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay was used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. The assay monit...				US Patent US8541427 (2013) BindingDB Entry DOI: 10.7270/Q26D5RN4
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM102962 (US8541427, 33) Show SMILES COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1cccc(Cl)c1 |r,c:19| Show InChI InChI=1S/C19H20ClFN6O2/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)11-5-4-6-12(20)7-11/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	US Patent	39	-43.0	176	n/a	n/a	n/a	n/a	n/a	30
Merck, Sharp & Dohme, Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay was used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. The assay monit...				US Patent US8541427 (2013) BindingDB Entry DOI: 10.7270/Q26D5RN4
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM102943 (US8541427, 14) Show SMILES CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1nc(C)c(F)c(n1)C1CC1)c1cccc(c1)C#N |r,c:3| Show InChI InChI=1S/C22H22FN7O/c1-12-17(23)18(14-6-7-14)27-21(26-12)30-10-16-19(31)29(2)20(25)28-22(16,11-30)15-5-3-4-13(8-15)9-24/h3-5,8,14,16H,6-7,10-11H2,1-2H3,(H2,25,28)/t16-,22+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	43	-42.8	213	n/a	n/a	n/a	n/a	n/a	30
Merck, Sharp & Dohme, Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay was used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. The assay monit...				US Patent US8541427 (2013) BindingDB Entry DOI: 10.7270/Q26D5RN4
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM102954 (US8541427, 25 racemic) Show SMILES CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1nc(C)c(F)c(n1)C1CC1)c1ccccc1 |r,c:3| Show InChI InChI=1S/C21H23FN6O/c1-12-16(22)17(13-8-9-13)25-20(24-12)28-10-15-18(29)27(2)19(23)26-21(15,11-28)14-6-4-3-5-7-14/h3-7,13,15H,8-11H2,1-2H3,(H2,23,26)/t15-,21+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	44	-42.7	349	n/a	n/a	n/a	n/a	n/a	30
Merck, Sharp & Dohme, Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay was used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. The assay monit...				US Patent US8541427 (2013) BindingDB Entry DOI: 10.7270/Q26D5RN4
					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	US Patent	53	-42.2	224	n/a	n/a	n/a	n/a	n/a	30
Merck, Sharp & Dohme, Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay was used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. The assay monit...				US Patent US8541427 (2013) BindingDB Entry DOI: 10.7270/Q26D5RN4
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM102933 (US8541427, 4 racemic) Show SMILES CCOc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccccc1 |r,c:20| Show InChI InChI=1S/C20H23FN6O2/c1-4-29-16-15(21)12(2)23-19(24-16)27-10-14-17(28)26(3)18(22)25-20(14,11-27)13-8-6-5-7-9-13/h5-9,14H,4,10-11H2,1-3H3,(H2,22,25)/t14-,20+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	59	-42.0	323	n/a	n/a	n/a	n/a	n/a	30
Merck, Sharp & Dohme, Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay was used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. The assay monit...				US Patent US8541427 (2013) BindingDB Entry DOI: 10.7270/Q26D5RN4
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM102934 (US8541427, 5 racemic) Show SMILES CCc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccccc1 |r,c:19| Show InChI InChI=1S/C20H23FN6O/c1-4-15-16(21)12(2)23-19(24-15)27-10-14-17(28)26(3)18(22)25-20(14,11-27)13-8-6-5-7-9-13/h5-9,14H,4,10-11H2,1-3H3,(H2,22,25)/t14-,20+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	61	-41.9	217	n/a	n/a	n/a	n/a	n/a	30
Merck, Sharp & Dohme, Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay was used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. The assay monit...				US Patent US8541427 (2013) BindingDB Entry DOI: 10.7270/Q26D5RN4
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM102957 (US8541427, 28) Show SMILES CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1nc(C)c(F)c(C)n1)c1ccc(F)cc1 |r,c:3| Show InChI InChI=1S/C19H20F2N6O/c1-10-15(21)11(2)24-18(23-10)27-8-14-16(28)26(3)17(22)25-19(14,9-27)12-4-6-13(20)7-5-12/h4-7,14H,8-9H2,1-3H3,(H2,22,25)/t14-,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	64	-41.7	114	n/a	n/a	n/a	n/a	n/a	30
Merck, Sharp & Dohme, Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay was used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. The assay monit...				US Patent US8541427 (2013) BindingDB Entry DOI: 10.7270/Q26D5RN4
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM102936 (US8541427, 7 racemic) Show SMILES CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1nc(C)c(Cl)c(n1)C1CC1)c1ccccc1 |r,c:3| Show InChI InChI=1S/C21H23ClN6O/c1-12-16(22)17(13-8-9-13)25-20(24-12)28-10-15-18(29)27(2)19(23)26-21(15,11-28)14-6-4-3-5-7-14/h3-7,13,15H,8-11H2,1-2H3,(H2,23,26)/t15-,21+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	94	-40.8	664	n/a	n/a	n/a	n/a	n/a	30
Merck, Sharp & Dohme, Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay was used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. The assay monit...				US Patent US8541427 (2013) BindingDB Entry DOI: 10.7270/Q26D5RN4
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM102953 (US8541427, 24 racemic) Show SMILES CCOc1nc(nc(OC)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccccc1 |r,c:21| Show InChI InChI=1S/C20H23FN6O3/c1-4-30-16-14(21)15(29-3)23-19(24-16)27-10-13-17(28)26(2)18(22)25-20(13,11-27)12-8-6-5-7-9-12/h5-9,13H,4,10-11H2,1-3H3,(H2,22,25)/t13-,20+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	137	-39.8	n/a	n/a	n/a	n/a	n/a	n/a	30
Merck, Sharp & Dohme, Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay was used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. The assay monit...				US Patent US8541427 (2013) BindingDB Entry DOI: 10.7270/Q26D5RN4
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM102952 (US8541427, 23 racemic) Show SMILES CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1nc(C)c(F)c(C)n1)c1ccccc1 |r,c:3| Show InChI InChI=1S/C19H21FN6O/c1-11-15(20)12(2)23-18(22-11)26-9-14-16(27)25(3)17(21)24-19(14,10-26)13-7-5-4-6-8-13/h4-8,14H,9-10H2,1-3H3,(H2,21,24)/t14-,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	154	-39.5	292	n/a	n/a	n/a	n/a	n/a	30
Merck, Sharp & Dohme, Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay was used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. The assay monit...				US Patent US8541427 (2013) BindingDB Entry DOI: 10.7270/Q26D5RN4
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM102955 (US8541427, 26 racemic) Show SMILES CCc1nc(nc(C2CC2)c1Cl)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccccc1 |r,c:22| Show InChI InChI=1S/C22H25ClN6O/c1-3-16-17(23)18(13-9-10-13)26-21(25-16)29-11-15-19(30)28(2)20(24)27-22(15,12-29)14-7-5-4-6-8-14/h4-8,13,15H,3,9-12H2,1-2H3,(H2,24,27)/t15-,22+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	180	-39.1	n/a	n/a	n/a	n/a	n/a	n/a	30
Merck, Sharp & Dohme, Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay was used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. The assay monit...				US Patent US8541427 (2013) BindingDB Entry DOI: 10.7270/Q26D5RN4
					More data for this Ligand-Target Pair