Compile Data Set for Download or QSAR

Found 290 hits with Last Name = 'sasiskumar' and Initial = 'tk'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Beta-secretase 2 (Homo sapiens (Human))	BDBM190708 (US9181236, 12) Show SMILES C[C@]1(CS(=O)(=O)C2(CCCC2)C(=N)N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r| Show InChI InChI=1S/C21H22ClFN4O3S/c1-20(12-31(29,30)21(19(24)27-20)8-2-3-9-21)15-10-14(5-6-16(15)23)26-18(28)17-7-4-13(22)11-25-17/h4-7,10-11H,2-3,8-9,12H2,1H3,(H2,24,27)(H,26,28)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.300	-55.3	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISE...				US Patent US9181236 (2015) BindingDB Entry DOI: 10.7270/Q2NC5ZZB
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM190709 (US9181236, 13) Show SMILES C[C@]1(CS(=O)(=O)C2(CCCC2)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r| Show InChI InChI=1S/C21H22F2N4O3S/c1-20(12-31(29,30)21(19(24)27-20)8-2-3-9-21)15-10-14(5-6-16(15)23)26-18(28)17-7-4-13(22)11-25-17/h4-7,10-11H,2-3,8-9,12H2,1H3,(H2,24,27)(H,26,28)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.300	-55.3	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISE...				US Patent US9181236 (2015) BindingDB Entry DOI: 10.7270/Q2NC5ZZB
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM190697 (US9181236, 1) Show SMILES C[C@]1(CS(=O)(=O)C2(CC2)C(=N)N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r| Show InChI InChI=1S/C19H18ClFN4O3S/c1-18(10-29(27,28)19(6-7-19)17(22)25-18)13-8-12(3-4-14(13)21)24-16(26)15-5-2-11(20)9-23-15/h2-5,8-9H,6-7,10H2,1H3,(H2,22,25)(H,24,26)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.400	-54.5	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISE...				US Patent US9181236 (2015) BindingDB Entry DOI: 10.7270/Q2NC5ZZB
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM190700 (US9181236, 4) Show SMILES C[C@]1(CS(=O)(=O)C2(CC2)C(=N)N1)c1cc(NC(=O)c2ncc(F)cc2F)ccc1F |r| Show InChI InChI=1S/C19H17F3N4O3S/c1-18(9-30(28,29)19(4-5-19)17(23)26-18)12-7-11(2-3-13(12)21)25-16(27)15-14(22)6-10(20)8-24-15/h2-3,6-8H,4-5,9H2,1H3,(H2,23,26)(H,25,27)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.5	-54.0	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISE...				US Patent US9181236 (2015) BindingDB Entry DOI: 10.7270/Q2NC5ZZB
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM190711 (US9181236, 15) Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CCCC2)C(=N)N1 |r| Show InChI InChI=1S/C22H25FN4O4S/c1-21(13-32(29,30)22(20(24)27-21)9-3-4-10-22)16-11-14(5-7-17(16)23)26-19(28)18-8-6-15(31-2)12-25-18/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H2,24,27)(H,26,28)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.600	-53.5	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISE...				US Patent US9181236 (2015) BindingDB Entry DOI: 10.7270/Q2NC5ZZB
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM190714 (US9181236, 18) Show SMILES C[C@]1(CS(=O)(=O)C2(CCCC2)C(=N)N1)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F |r| Show InChI InChI=1S/C21H21Cl2FN4O3S/c1-20(11-32(30,31)21(19(25)28-20)6-2-3-7-21)14-9-13(4-5-16(14)24)27-18(29)17-15(23)8-12(22)10-26-17/h4-5,8-10H,2-3,6-7,11H2,1H3,(H2,25,28)(H,27,29)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.800	-52.8	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISE...				US Patent US9181236 (2015) BindingDB Entry DOI: 10.7270/Q2NC5ZZB
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM190773 (US9181236, 62g) Show SMILES COc1cccc2cc([nH]c12)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)[C@]2(CCOC2)C(=N)N1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.900	-52.5	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISE...				US Patent US9181236 (2015) BindingDB Entry DOI: 10.7270/Q2NC5ZZB
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM190699 (US9181236, 3) Show SMILES C[C@]1(CS(=O)(=O)C2(CC2)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r| Show InChI InChI=1S/C19H18F2N4O3S/c1-18(10-29(27,28)19(6-7-19)17(22)25-18)13-8-12(3-4-14(13)21)24-16(26)15-5-2-11(20)9-23-15/h2-5,8-9H,6-7,10H2,1H3,(H2,22,25)(H,24,26)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.900	-52.5	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISE...				US Patent US9181236 (2015) BindingDB Entry DOI: 10.7270/Q2NC5ZZB
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM190796 (US9181236, 64) Show SMILES COc1cccc2cc([nH]c12)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)C2(CC2)C(=N)N1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1	-52.2	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISE...				US Patent US9181236 (2015) BindingDB Entry DOI: 10.7270/Q2NC5ZZB
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM190761 (US9181236, 58) Show SMILES COc1cccc2cc([nH]c12)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)C2(CCC2)C(=N)N1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1	-52.2	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISE...				US Patent US9181236 (2015) BindingDB Entry DOI: 10.7270/Q2NC5ZZB
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM190727 (US9181236, 31) Show SMILES C[C@]1(CS(=O)(=O)C2(CCOCC2)C(=N)N1)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F |r| Show InChI InChI=1S/C21H21Cl2FN4O4S/c1-20(11-33(30,31)21(19(25)28-20)4-6-32-7-5-21)14-9-13(2-3-16(14)24)27-18(29)17-15(23)8-12(22)10-26-17/h2-3,8-10H,4-7,11H2,1H3,(H2,25,28)(H,27,29)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.20	-51.8	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISE...				US Patent US9181236 (2015) BindingDB Entry DOI: 10.7270/Q2NC5ZZB
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM190784 (US9181236, 63c) Show SMILES C[C@]1(CS(=O)(=O)[C@@]2(CCOC2)C(=N)N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r| Show InChI InChI=1S/C20H20ClFN4O4S/c1-19(11-31(28,29)20(18(23)26-19)6-7-30-10-20)14-8-13(3-4-15(14)22)25-17(27)16-5-2-12(21)9-24-16/h2-5,8-9H,6-7,10-11H2,1H3,(H2,23,26)(H,25,27)/t19-,20+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.30	-51.6	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISE...				US Patent US9181236 (2015) BindingDB Entry DOI: 10.7270/Q2NC5ZZB
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM190717 (US9181236, 21) Show SMILES Cc1nc(no1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CCCC2)C(=N)N1 |r| Show InChI InChI=1S/C19H22FN5O4S/c1-11-22-15(25-29-11)16(26)23-12-5-6-14(20)13(9-12)18(2)10-30(27,28)19(17(21)24-18)7-3-4-8-19/h5-6,9H,3-4,7-8,10H2,1-2H3,(H2,21,24)(H,23,26)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.30	-51.6	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISE...				US Patent US9181236 (2015) BindingDB Entry DOI: 10.7270/Q2NC5ZZB
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM190708 (US9181236, 12) Show SMILES C[C@]1(CS(=O)(=O)C2(CCCC2)C(=N)N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r| Show InChI InChI=1S/C21H22ClFN4O3S/c1-20(12-31(29,30)21(19(24)27-20)8-2-3-9-21)15-10-14(5-6-16(15)23)26-18(28)17-7-4-13(22)11-25-17/h4-7,10-11H,2-3,8-9,12H2,1H3,(H2,24,27)(H,26,28)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.30	-51.6	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...				US Patent US9181236 (2015) BindingDB Entry DOI: 10.7270/Q2NC5ZZB
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM190732 (US9181236, 35a) Show SMILES C[C@]1(CS(=O)(=O)C2(CCOCC2)C(=N)N1)c1cc(NC(=O)c2ncc(Cl)cc2F)ccc1F |r| Show InChI InChI=1S/C21H21ClF2N4O4S/c1-20(11-33(30,31)21(19(25)28-20)4-6-32-7-5-21)14-9-13(2-3-15(14)23)27-18(29)17-16(24)8-12(22)10-26-17/h2-3,8-10H,4-7,11H2,1H3,(H2,25,28)(H,27,29)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.40	-51.4	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISE...				US Patent US9181236 (2015) BindingDB Entry DOI: 10.7270/Q2NC5ZZB
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM190787 (US9181236, 63f) Show SMILES COc1cccc2cc([nH]c12)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)[C@@]2(CCOC2)C(=N)N1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.5	-51.2	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISE...				US Patent US9181236 (2015) BindingDB Entry DOI: 10.7270/Q2NC5ZZB
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM190713 (US9181236, 17) Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CCCC2)C(=N)N1 |r| Show InChI InChI=1S/C21H24FN5O4S/c1-20(12-32(29,30)21(19(23)27-20)7-3-4-8-21)14-9-13(5-6-15(14)22)26-18(28)16-10-25-17(31-2)11-24-16/h5-6,9-11H,3-4,7-8,12H2,1-2H3,(H2,23,27)(H,26,28)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.5	-51.2	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISE...				US Patent US9181236 (2015) BindingDB Entry DOI: 10.7270/Q2NC5ZZB
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM190697 (US9181236, 1) Show SMILES C[C@]1(CS(=O)(=O)C2(CC2)C(=N)N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r| Show InChI InChI=1S/C19H18ClFN4O3S/c1-18(10-29(27,28)19(6-7-19)17(22)25-18)13-8-12(3-4-14(13)21)24-16(26)15-5-2-11(20)9-23-15/h2-5,8-9H,6-7,10H2,1H3,(H2,22,25)(H,24,26)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.60	-51.0	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...				US Patent US9181236 (2015) BindingDB Entry DOI: 10.7270/Q2NC5ZZB
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM190729 (US9181236, 33) Show SMILES C[C@]1(CS(=O)(=O)C2(CCOCC2)C(=N)N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r| Show InChI InChI=1S/C21H22ClFN4O4S/c1-20(12-32(29,30)21(19(24)27-20)6-8-31-9-7-21)15-10-14(3-4-16(15)23)26-18(28)17-5-2-13(22)11-25-17/h2-5,10-11H,6-9,12H2,1H3,(H2,24,27)(H,26,28)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.60	-51.0	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISE...				US Patent US9181236 (2015) BindingDB Entry DOI: 10.7270/Q2NC5ZZB
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM190808 (US9181236, 75) Show SMILES C[C@]1(CS(=O)(=O)[C@]2(C[C@H](O)C2)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,wU:6.10,8.8,1.0,(1.86,-4.05,;.68,-3.06,;-.09,-4.39,;-1.63,-4.39,;-1.68,-5.93,;-2.93,-5.21,;-2.4,-3.06,;-3.49,-1.97,;-4.57,-3.06,;-6.11,-3.06,;-3.49,-4.15,;-1.63,-1.73,;-2.4,-.39,;-.09,-1.73,;1.86,-2.07,;1.6,-.55,;2.78,.44,;2.51,1.95,;3.69,2.94,;5.13,2.42,;3.42,4.46,;4.6,5.45,;4.33,6.97,;2.89,7.49,;2.62,9.01,;1.71,6.5,;1.97,4.99,;4.22,-.09,;4.49,-1.61,;3.31,-2.6,;3.58,-4.11,)| Show InChI InChI=1S/C20H20F2N4O4S/c1-19(10-31(29,30)20(18(23)26-19)7-13(27)8-20)14-6-12(3-4-15(14)22)25-17(28)16-5-2-11(21)9-24-16/h2-6,9,13,27H,7-8,10H2,1H3,(H2,23,26)(H,25,28)/t13-,19-,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.70	-50.9	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISE...				US Patent US9181236 (2015) BindingDB Entry DOI: 10.7270/Q2NC5ZZB
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM190769 (US9181236, 62c) Show SMILES C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r| Show InChI InChI=1S/C20H20ClFN4O4S/c1-19(11-31(28,29)20(18(23)26-19)6-7-30-10-20)14-8-13(3-4-15(14)22)25-17(27)16-5-2-12(21)9-24-16/h2-5,8-9H,6-7,10-11H2,1H3,(H2,23,26)(H,25,27)/t19-,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.80	-50.7	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISE...				US Patent US9181236 (2015) BindingDB Entry DOI: 10.7270/Q2NC5ZZB
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM190701 (US9181236, 5) Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CC2)C(=N)N1 |r| Show InChI InChI=1S/C20H21FN4O4S/c1-19(11-30(27,28)20(7-8-20)18(22)25-19)14-9-12(3-5-15(14)21)24-17(26)16-6-4-13(29-2)10-23-16/h3-6,9-10H,7-8,11H2,1-2H3,(H2,22,25)(H,24,26)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.90	-50.6	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISE...				US Patent US9181236 (2015) BindingDB Entry DOI: 10.7270/Q2NC5ZZB
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM190702 (US9181236, 6) Show SMILES C[C@]1(CS(=O)(=O)C2(CCC2)C(=N)N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r| Show InChI InChI=1S/C20H20ClFN4O3S/c1-19(11-30(28,29)20(7-2-8-20)18(23)26-19)14-9-13(4-5-15(14)22)25-17(27)16-6-3-12(21)10-24-16/h3-6,9-10H,2,7-8,11H2,1H3,(H2,23,26)(H,25,27)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.90	-50.6	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISE...				US Patent US9181236 (2015) BindingDB Entry DOI: 10.7270/Q2NC5ZZB
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM190750 (US9181236, 48) Show SMILES COc1cccc2cc([nH]c12)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)C2(CCOCC2)C(=N)N1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2	-50.5	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISE...				US Patent US9181236 (2015) BindingDB Entry DOI: 10.7270/Q2NC5ZZB
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM190745 (US9181236, 44) Show SMILES COc1cccc2cc([nH]c12)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)C2(CCCCC2)C(=N)N1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2	-50.5	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISE...				US Patent US9181236 (2015) BindingDB Entry DOI: 10.7270/Q2NC5ZZB
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM190726 (US9181236, 30) Show SMILES C[C@]1(CS(=O)(=O)C2(CCOCC2)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r| Show InChI InChI=1S/C21H22F2N4O4S/c1-20(12-32(29,30)21(19(24)27-20)6-8-31-9-7-21)15-10-14(3-4-16(15)23)26-18(28)17-5-2-13(22)11-25-17/h2-5,10-11H,6-9,12H2,1H3,(H2,24,27)(H,26,28)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.10	-50.4	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISE...				US Patent US9181236 (2015) BindingDB Entry DOI: 10.7270/Q2NC5ZZB
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM190710 (US9181236, 14) Show SMILES C[C@]1(CS(=O)(=O)C2(CCCC2)C(=N)N1)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F |r| Show InChI InChI=1S/C22H22F4N4O3S/c1-20(12-34(32,33)21(19(27)30-20)8-2-3-9-21)15-10-14(5-6-16(15)23)29-18(31)17-7-4-13(11-28-17)22(24,25)26/h4-7,10-11H,2-3,8-9,12H2,1H3,(H2,27,30)(H,29,31)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.10	-50.4	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISE...				US Patent US9181236 (2015) BindingDB Entry DOI: 10.7270/Q2NC5ZZB
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM190778 (US9181236, 62l) Show SMILES C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1sc(cc1Cl)-c1ccnc(c1)-c1ccco1 |r| Show InChI InChI=1S/C21H20ClN3O4S2/c1-20(12-31(26,27)21(19(23)25-20)5-8-28-11-21)18-14(22)10-17(30-18)13-4-6-24-15(9-13)16-3-2-7-29-16/h2-4,6-7,9-10H,5,8,11-12H2,1H3,(H2,23,25)/t20-,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.20	-50.2	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISE...				US Patent US9181236 (2015) BindingDB Entry DOI: 10.7270/Q2NC5ZZB
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM190710 (US9181236, 14) Show SMILES C[C@]1(CS(=O)(=O)C2(CCCC2)C(=N)N1)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F |r| Show InChI InChI=1S/C22H22F4N4O3S/c1-20(12-34(32,33)21(19(27)30-20)8-2-3-9-21)15-10-14(5-6-16(15)23)29-18(31)17-7-4-13(11-28-17)22(24,25)26/h4-7,10-11H,2-3,8-9,12H2,1H3,(H2,27,30)(H,29,31)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.20	-50.2	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...				US Patent US9181236 (2015) BindingDB Entry DOI: 10.7270/Q2NC5ZZB
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM190809 (US9181236, 76a (isomeric sample 1) | US9181236, 76...) Show SMILES C[C@]1(CS(=O)(=O)C2(CCC(O)C2)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r| Show InChI InChI=1S/C21H22F2N4O4S/c1-20(11-32(30,31)21(19(24)27-20)7-6-14(28)9-21)15-8-13(3-4-16(15)23)26-18(29)17-5-2-12(22)10-25-17/h2-5,8,10,14,28H,6-7,9,11H2,1H3,(H2,24,27)(H,26,29)/t14?,20-,21?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.40	-50.0	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISE...				US Patent US9181236 (2015) BindingDB Entry DOI: 10.7270/Q2NC5ZZB
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM190705 (US9181236, 9) Show SMILES C[C@]1(CS(=O)(=O)C2(CCC2)C(=N)N1)c1cc(NC(=O)c2ncc(F)cc2F)ccc1F |r| Show InChI InChI=1S/C20H19F3N4O3S/c1-19(10-31(29,30)20(5-2-6-20)18(24)27-19)13-8-12(3-4-14(13)22)26-17(28)16-15(23)7-11(21)9-25-16/h3-4,7-9H,2,5-6,10H2,1H3,(H2,24,27)(H,26,28)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.5	-49.9	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISE...				US Patent US9181236 (2015) BindingDB Entry DOI: 10.7270/Q2NC5ZZB
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM190783 (US9181236, 63b) Show SMILES C[C@]1(CS(=O)(=O)[C@@]2(CCOC2)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r| Show InChI InChI=1S/C20H20F2N4O4S/c1-19(11-31(28,29)20(18(23)26-19)6-7-30-10-20)14-8-13(3-4-15(14)22)25-17(27)16-5-2-12(21)9-24-16/h2-5,8-9H,6-7,10-11H2,1H3,(H2,23,26)(H,25,27)/t19-,20+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.70	-49.7	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISE...				US Patent US9181236 (2015) BindingDB Entry DOI: 10.7270/Q2NC5ZZB
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM190714 (US9181236, 18) Show SMILES C[C@]1(CS(=O)(=O)C2(CCCC2)C(=N)N1)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F |r| Show InChI InChI=1S/C21H21Cl2FN4O3S/c1-20(11-32(30,31)21(19(25)28-20)6-2-3-7-21)14-9-13(4-5-16(14)24)27-18(29)17-15(23)8-12(22)10-26-17/h4-5,8-10H,2-3,6-7,11H2,1H3,(H2,25,28)(H,27,29)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.70	-49.7	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...				US Patent US9181236 (2015) BindingDB Entry DOI: 10.7270/Q2NC5ZZB
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM190774 (US9181236, 62h) Show SMILES C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1sc(cc1Cl)-c1cncc(c1)-c1ncco1 |r| Show InChI InChI=1S/C20H19ClN4O4S2/c1-19(11-31(26,27)20(18(22)25-19)2-4-28-10-20)16-14(21)7-15(30-16)12-6-13(9-23-8-12)17-24-3-5-29-17/h3,5-9H,2,4,10-11H2,1H3,(H2,22,25)/t19-,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.80	-49.6	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISE...				US Patent US9181236 (2015) BindingDB Entry DOI: 10.7270/Q2NC5ZZB
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM190709 (US9181236, 13) Show SMILES C[C@]1(CS(=O)(=O)C2(CCCC2)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r| Show InChI InChI=1S/C21H22F2N4O3S/c1-20(12-31(29,30)21(19(24)27-20)8-2-3-9-21)15-10-14(5-6-16(15)23)26-18(28)17-7-4-13(22)11-25-17/h4-7,10-11H,2-3,8-9,12H2,1H3,(H2,24,27)(H,26,28)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.10	-49.4	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...				US Patent US9181236 (2015) BindingDB Entry DOI: 10.7270/Q2NC5ZZB
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM190719 (US9181236, 23) Show SMILES C[C@]1(CS(=O)(=O)C2(CCCC2)C(=N)N1)c1cc(NC(=O)c2cnsn2)ccc1F |r| Show InChI InChI=1S/C18H20FN5O3S2/c1-17(10-29(26,27)18(16(20)23-17)6-2-3-7-18)12-8-11(4-5-13(12)19)22-15(25)14-9-21-28-24-14/h4-5,8-9H,2-3,6-7,10H2,1H3,(H2,20,23)(H,22,25)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.10	-49.4	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISE...				US Patent US9181236 (2015) BindingDB Entry DOI: 10.7270/Q2NC5ZZB
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM190701 (US9181236, 5) Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CC2)C(=N)N1 |r| Show InChI InChI=1S/C20H21FN4O4S/c1-19(11-30(27,28)20(7-8-20)18(22)25-19)14-9-12(3-5-15(14)21)24-17(26)16-6-4-13(29-2)10-23-16/h3-6,9-10H,7-8,11H2,1-2H3,(H2,22,25)(H,24,26)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.40	-49.1	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...				US Patent US9181236 (2015) BindingDB Entry DOI: 10.7270/Q2NC5ZZB
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM190742 (US9181236, 42) Show SMILES C[C@]1(CS(=O)(=O)C2(CCCC2)C(=N)N1)c1sc(cc1Cl)-c1cncc(c1)C#N |r| Show InChI InChI=1S/C19H19ClN4O2S2/c1-18(11-28(25,26)19(17(22)24-18)4-2-3-5-19)16-14(20)7-15(27-16)13-6-12(8-21)9-23-10-13/h6-7,9-10H,2-5,11H2,1H3,(H2,22,24)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.40	-49.1	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISE...				US Patent US9181236 (2015) BindingDB Entry DOI: 10.7270/Q2NC5ZZB
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM190713 (US9181236, 17) Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CCCC2)C(=N)N1 |r| Show InChI InChI=1S/C21H24FN5O4S/c1-20(12-32(29,30)21(19(23)27-20)7-3-4-8-21)14-9-13(5-6-15(14)22)26-18(28)16-10-25-17(31-2)11-24-16/h5-6,9-11H,3-4,7-8,12H2,1-2H3,(H2,23,27)(H,26,28)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.60	-49.0	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...				US Patent US9181236 (2015) BindingDB Entry DOI: 10.7270/Q2NC5ZZB
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM190807 (US9181236, 74) Show SMILES C[C@]1(CS(=O)(=O)C2(C[C@H](O)C2)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,wU:1.0,wD:8.8,(1.86,-4.05,;.68,-3.06,;-.09,-4.39,;-1.63,-4.39,;-1.68,-5.93,;-2.93,-5.21,;-2.4,-3.06,;-3.49,-4.15,;-4.57,-3.06,;-6.11,-3.06,;-3.49,-1.97,;-1.63,-1.73,;-2.4,-.39,;-.09,-1.73,;1.86,-2.07,;1.6,-.55,;2.78,.44,;2.51,1.95,;3.69,2.94,;5.13,2.42,;3.42,4.46,;4.6,5.45,;4.33,6.97,;2.89,7.49,;2.62,9.01,;1.71,6.5,;1.97,4.99,;4.22,-.09,;4.49,-1.61,;3.31,-2.6,;3.58,-4.11,)| Show InChI InChI=1S/C20H20F2N4O4S/c1-19(10-31(29,30)20(18(23)26-19)7-13(27)8-20)14-6-12(3-4-15(14)22)25-17(28)16-5-2-11(21)9-24-16/h2-6,9,13,27H,7-8,10H2,1H3,(H2,23,26)(H,25,28)/t13-,19-,20?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.80	-48.9	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISE...				US Patent US9181236 (2015) BindingDB Entry DOI: 10.7270/Q2NC5ZZB
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM190809 (US9181236, 76a (isomeric sample 1) | US9181236, 76...) Show SMILES C[C@]1(CS(=O)(=O)C2(CCC(O)C2)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r| Show InChI InChI=1S/C21H22F2N4O4S/c1-20(11-32(30,31)21(19(24)27-20)7-6-14(28)9-21)15-8-13(3-4-16(15)23)26-18(29)17-5-2-12(22)10-25-17/h2-5,8,10,14,28H,6-7,9,11H2,1H3,(H2,24,27)(H,26,29)/t14?,20-,21?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4	-48.7	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISE...				US Patent US9181236 (2015) BindingDB Entry DOI: 10.7270/Q2NC5ZZB
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM190727 (US9181236, 31) Show SMILES C[C@]1(CS(=O)(=O)C2(CCOCC2)C(=N)N1)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F |r| Show InChI InChI=1S/C21H21Cl2FN4O4S/c1-20(11-33(30,31)21(19(25)28-20)4-6-32-7-5-21)14-9-13(2-3-16(14)24)27-18(29)17-15(23)8-12(22)10-26-17/h2-3,8-10H,4-7,11H2,1H3,(H2,25,28)(H,27,29)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.10	-48.7	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...				US Patent US9181236 (2015) BindingDB Entry DOI: 10.7270/Q2NC5ZZB
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM190698 (US9181236, 2) Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CC2)C(=N)N1 |r| Show InChI InChI=1S/C19H20FN5O4S/c1-18(10-30(27,28)19(5-6-19)17(21)25-18)12-7-11(3-4-13(12)20)24-16(26)14-8-23-15(29-2)9-22-14/h3-4,7-9H,5-6,10H2,1-2H3,(H2,21,25)(H,24,26)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.20	-48.6	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...				US Patent US9181236 (2015) BindingDB Entry DOI: 10.7270/Q2NC5ZZB
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM190704 (US9181236, 8) Show SMILES C[C@]1(CS(=O)(=O)C2(CCC2)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r| Show InChI InChI=1S/C20H20F2N4O3S/c1-19(11-30(28,29)20(7-2-8-20)18(23)26-19)14-9-13(4-5-15(14)22)25-17(27)16-6-3-12(21)10-24-16/h3-6,9-10H,2,7-8,11H2,1H3,(H2,23,26)(H,25,27)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.20	-48.6	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISE...				US Patent US9181236 (2015) BindingDB Entry DOI: 10.7270/Q2NC5ZZB
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM190768 (US9181236, 62b) Show SMILES C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r| Show InChI InChI=1S/C20H20F2N4O4S/c1-19(11-31(28,29)20(18(23)26-19)6-7-30-10-20)14-8-13(3-4-15(14)22)25-17(27)16-5-2-12(21)9-24-16/h2-5,8-9H,6-7,10-11H2,1H3,(H2,23,26)(H,25,27)/t19-,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.30	-48.6	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISE...				US Patent US9181236 (2015) BindingDB Entry DOI: 10.7270/Q2NC5ZZB
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM190718 (US9181236, 22) Show SMILES C[C@]1(CS(=O)(=O)C2(CCCC2)C(=N)N1)c1cc(NC(=O)c2ccn(n2)C(F)F)ccc1F |r| Show InChI InChI=1S/C20H22F3N5O3S/c1-19(11-32(30,31)20(17(24)26-19)7-2-3-8-20)13-10-12(4-5-14(13)21)25-16(29)15-6-9-28(27-15)18(22)23/h4-6,9-10,18H,2-3,7-8,11H2,1H3,(H2,24,26)(H,25,29)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.30	-48.6	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISE...				US Patent US9181236 (2015) BindingDB Entry DOI: 10.7270/Q2NC5ZZB
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM190721 (US9181236, 25) Show SMILES C[C@]1(CS(=O)(=O)C2(CCCCC2)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r| Show InChI InChI=1S/C22H24F2N4O3S/c1-21(13-32(30,31)22(20(25)28-21)9-3-2-4-10-22)16-11-15(6-7-17(16)24)27-19(29)18-8-5-14(23)12-26-18/h5-8,11-12H,2-4,9-10,13H2,1H3,(H2,25,28)(H,27,29)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.40	-48.5	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISE...				US Patent US9181236 (2015) BindingDB Entry DOI: 10.7270/Q2NC5ZZB
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM190700 (US9181236, 4) Show SMILES C[C@]1(CS(=O)(=O)C2(CC2)C(=N)N1)c1cc(NC(=O)c2ncc(F)cc2F)ccc1F |r| Show InChI InChI=1S/C19H17F3N4O3S/c1-18(9-30(28,29)19(4-5-19)17(23)26-18)12-7-11(2-3-13(12)21)25-16(27)15-14(22)6-10(20)8-24-15/h2-3,6-8H,4-5,9H2,1H3,(H2,23,26)(H,25,27)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5	-48.2	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...				US Patent US9181236 (2015) BindingDB Entry DOI: 10.7270/Q2NC5ZZB
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM190711 (US9181236, 15) Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CCCC2)C(=N)N1 |r| Show InChI InChI=1S/C22H25FN4O4S/c1-21(13-32(29,30)22(20(24)27-21)9-3-4-10-22)16-11-14(5-7-17(16)23)26-19(28)18-8-6-15(31-2)12-25-18/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H2,24,27)(H,26,28)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5.20	-48.1	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...				US Patent US9181236 (2015) BindingDB Entry DOI: 10.7270/Q2NC5ZZB
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM190785 (US9181236, 63d) Show SMILES C[C@]1(CS(=O)(=O)[C@@]2(CCOC2)C(=N)N1)c1cc(NC(=O)c2ccc(cn2)[N+]#[C-])ccc1F |r| Show InChI InChI=1S/C21H20FN5O4S/c1-20(12-32(29,30)21(19(23)27-20)7-8-31-11-21)15-9-13(3-5-16(15)22)26-18(28)17-6-4-14(24-2)10-25-17/h3-6,9-10H,7-8,11-12H2,1H3,(H2,23,27)(H,26,28)/t20-,21+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5.20	-48.1	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...				US Patent US9181236 (2015) BindingDB Entry DOI: 10.7270/Q2NC5ZZB
					More data for this Ligand-Target Pair

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