Compile Data Set for Download or QSAR

Found 194 hits Enz. Inhib. hit(s) with all data for entry = 8539   

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))	BDBM256738 (US9489013, 9) Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(CC2CCOC2)C1 |r| Show InChI InChI=1S/C26H33FN6O5S/c1-25(20-12-18(4-6-21(20)27)30-23(34)22-7-5-19(37-3)13-29-22)26(39(35,36)32(2)24(28)31-25)9-10-33(16-26)14-17-8-11-38-15-17/h4-7,12-13,17H,8-11,14-16H2,1-3H3,(H2,28,31)(H,30,34)/t17?,25-,26-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 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 US9489013 (2016) BindingDB Entry DOI: 10.7270/Q2Q81C18
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM256742 (US9489013, 13) Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(CCC(F)(F)F)C1 |r| Show InChI InChI=1S/C24H28F4N6O4S/c1-22(17-12-15(4-6-18(17)25)31-20(35)19-7-5-16(38-3)13-30-19)23(39(36,37)33(2)21(29)32-22)8-10-34(14-23)11-9-24(26,27)28/h4-7,12-13H,8-11,14H2,1-3H3,(H2,29,32)(H,31,35)/t22-,23-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 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 US9489013 (2016) BindingDB Entry DOI: 10.7270/Q2Q81C18
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM256761 (US9489013, 32) Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(CC3CCOC3)C2)S1(=O)=O |r| Show InChI InChI=1S/C25H30F2N6O4S/c1-24(19-11-18(4-5-20(19)27)30-22(34)21-6-3-17(26)12-29-21)25(38(35,36)32(2)23(28)31-24)8-9-33(15-25)13-16-7-10-37-14-16/h3-6,11-12,16H,7-10,13-15H2,1-2H3,(H2,28,31)(H,30,34)/t16?,24-,25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 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 US9489013 (2016) BindingDB Entry DOI: 10.7270/Q2Q81C18
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM256765 (US9489013, 36) Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(CCC(F)(F)F)C2)S1(=O)=O |r| Show InChI InChI=1S/C23H25F5N6O3S/c1-21(16-11-15(4-5-17(16)25)31-19(35)18-6-3-14(24)12-30-18)22(38(36,37)33(2)20(29)32-21)7-9-34(13-22)10-8-23(26,27)28/h3-6,11-12H,7-10,13H2,1-2H3,(H2,29,32)(H,31,35)/t21-,22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 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 US9489013 (2016) BindingDB Entry DOI: 10.7270/Q2Q81C18
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM256785 (US9489013, 56) Show SMILES CCS(=O)(=O)N1CC[C@@]2(C1)[C@](C)(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ccc(OC)cn2)ccc1F |r| Show InChI InChI=1S/C23H29FN6O6S2/c1-5-37(32,33)30-11-10-23(14-30)22(2,28-21(25)29(3)38(23,34)35)17-12-15(6-8-18(17)24)27-20(31)19-9-7-16(36-4)13-26-19/h6-9,12-13H,5,10-11,14H2,1-4H3,(H2,25,28)(H,27,31)/t22-,23-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 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 US9489013 (2016) BindingDB Entry DOI: 10.7270/Q2Q81C18
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM256765 (US9489013, 36) Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(CCC(F)(F)F)C2)S1(=O)=O |r| Show InChI InChI=1S/C23H25F5N6O3S/c1-21(16-11-15(4-5-17(16)25)31-19(35)18-6-3-14(24)12-30-18)22(38(36,37)33(2)20(29)32-21)7-9-34(13-22)10-8-23(26,27)28/h3-6,11-12H,7-10,13H2,1-2H3,(H2,29,32)(H,31,35)/t21-,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...				US Patent US9489013 (2016) BindingDB Entry DOI: 10.7270/Q2Q81C18
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM256789 (US9489013, 60) Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(C1)S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C24H29FN6O6S2/c1-23(18-12-15(4-8-19(18)25)28-21(32)20-9-5-16(37-3)13-27-20)24(39(35,36)30(2)22(26)29-23)10-11-31(14-24)38(33,34)17-6-7-17/h4-5,8-9,12-13,17H,6-7,10-11,14H2,1-3H3,(H2,26,29)(H,28,32)/t23-,24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 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 US9489013 (2016) BindingDB Entry DOI: 10.7270/Q2Q81C18
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM256808 (US9489013, 79) Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(C2)S(=O)(=O)C2CC2)S1(=O)=O |r| Show InChI InChI=1S/C23H26F2N6O5S2/c1-22(17-11-15(4-7-18(17)25)28-20(32)19-8-3-14(24)12-27-19)23(38(35,36)30(2)21(26)29-22)9-10-31(13-23)37(33,34)16-5-6-16/h3-4,7-8,11-12,16H,5-6,9-10,13H2,1-2H3,(H2,26,29)(H,28,32)/t22-,23-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 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 US9489013 (2016) BindingDB Entry DOI: 10.7270/Q2Q81C18
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM256742 (US9489013, 13) Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(CCC(F)(F)F)C1 |r| Show InChI InChI=1S/C24H28F4N6O4S/c1-22(17-12-15(4-6-18(17)25)31-20(35)19-7-5-16(38-3)13-30-19)23(39(36,37)33(2)21(29)32-22)8-10-34(14-23)11-9-24(26,27)28/h4-7,12-13H,8-11,14H2,1-3H3,(H2,29,32)(H,31,35)/t22-,23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...				US Patent US9489013 (2016) BindingDB Entry DOI: 10.7270/Q2Q81C18
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM256761 (US9489013, 32) Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(CC3CCOC3)C2)S1(=O)=O |r| Show InChI InChI=1S/C25H30F2N6O4S/c1-24(19-11-18(4-5-20(19)27)30-22(34)21-6-3-17(26)12-29-21)25(38(35,36)32(2)23(28)31-24)8-9-33(15-25)13-16-7-10-37-14-16/h3-6,11-12,16H,7-10,13-15H2,1-2H3,(H2,28,31)(H,30,34)/t16?,24-,25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...				US Patent US9489013 (2016) BindingDB Entry DOI: 10.7270/Q2Q81C18
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM256786 (US9489013, 57) Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(C1)S(=O)(=O)CC(C)C |r| Show InChI InChI=1S/C25H33FN6O6S2/c1-16(2)14-39(34,35)32-11-10-25(15-32)24(3,30-23(27)31(4)40(25,36)37)19-12-17(6-8-20(19)26)29-22(33)21-9-7-18(38-5)13-28-21/h6-9,12-13,16H,10-11,14-15H2,1-5H3,(H2,27,30)(H,29,33)/t24-,25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 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 US9489013 (2016) BindingDB Entry DOI: 10.7270/Q2Q81C18
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM256734 (US9489013, 5) Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)C2(CCN(C2)C(=O)C2CC2)S1(=O)=O |r| Show InChI InChI=1S/C24H26F2N6O4S/c1-23(17-11-16(6-7-18(17)26)29-20(33)19-8-5-15(25)12-28-19)24(37(35,36)31(2)22(27)30-23)9-10-32(13-24)21(34)14-3-4-14/h5-8,11-12,14H,3-4,9-10,13H2,1-2H3,(H2,27,30)(H,29,33)/t23-,24?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 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 US9489013 (2016) BindingDB Entry DOI: 10.7270/Q2Q81C18
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM256768 (US9489013, 39) Show SMILES CCCCN1CC[C@@]2(C1)[C@](C)(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r| Show InChI InChI=1S/C24H30F2N6O3S/c1-4-5-11-32-12-10-24(15-32)23(2,30-22(27)31(3)36(24,34)35)18-13-17(7-8-19(18)26)29-21(33)20-9-6-16(25)14-28-20/h6-9,13-14H,4-5,10-12,15H2,1-3H3,(H2,27,30)(H,29,33)/t23-,24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 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 US9489013 (2016) BindingDB Entry DOI: 10.7270/Q2Q81C18
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM256808 (US9489013, 79) Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(C2)S(=O)(=O)C2CC2)S1(=O)=O |r| Show InChI InChI=1S/C23H26F2N6O5S2/c1-22(17-11-15(4-7-18(17)25)28-20(32)19-8-3-14(24)12-27-19)23(38(35,36)30(2)21(26)29-22)9-10-31(13-23)37(33,34)16-5-6-16/h3-4,7-8,11-12,16H,5-6,9-10,13H2,1-2H3,(H2,26,29)(H,28,32)/t22-,23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...				US Patent US9489013 (2016) BindingDB Entry DOI: 10.7270/Q2Q81C18
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM256739 (US9489013, 10) Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(Cc2ccccn2)C1 |r| Show InChI InChI=1S/C27H30FN7O4S/c1-26(21-14-18(7-9-22(21)28)32-24(36)23-10-8-20(39-3)15-31-23)27(40(37,38)34(2)25(29)33-26)11-13-35(17-27)16-19-6-4-5-12-30-19/h4-10,12,14-15H,11,13,16-17H2,1-3H3,(H2,29,33)(H,32,36)/t26-,27-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 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 US9489013 (2016) BindingDB Entry DOI: 10.7270/Q2Q81C18
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM256740 (US9489013, 11) Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(Cc2cccnc2)C1 |r| Show InChI InChI=1S/C27H30FN7O4S/c1-26(21-13-19(6-8-22(21)28)32-24(36)23-9-7-20(39-3)15-31-23)27(40(37,38)34(2)25(29)33-26)10-12-35(17-27)16-18-5-4-11-30-14-18/h4-9,11,13-15H,10,12,16-17H2,1-3H3,(H2,29,33)(H,32,36)/t26-,27-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 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 US9489013 (2016) BindingDB Entry DOI: 10.7270/Q2Q81C18
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM256741 (US9489013, 12) Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(CC2CC2)C1 |r| Show InChI InChI=1S/C25H31FN6O4S/c1-24(19-12-17(6-8-20(19)26)29-22(33)21-9-7-18(36-3)13-28-21)25(37(34,35)31(2)23(27)30-24)10-11-32(15-25)14-16-4-5-16/h6-9,12-13,16H,4-5,10-11,14-15H2,1-3H3,(H2,27,30)(H,29,33)/t24-,25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 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 US9489013 (2016) BindingDB Entry DOI: 10.7270/Q2Q81C18
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM256760 (US9489013, 31) Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(CC3CC3)C2)S1(=O)=O |r| Show InChI InChI=1S/C24H28F2N6O3S/c1-23(18-11-17(6-7-19(18)26)29-21(33)20-8-5-16(25)12-28-20)24(36(34,35)31(2)22(27)30-23)9-10-32(14-24)13-15-3-4-15/h5-8,11-12,15H,3-4,9-10,13-14H2,1-2H3,(H2,27,30)(H,29,33)/t23-,24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 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 US9489013 (2016) BindingDB Entry DOI: 10.7270/Q2Q81C18
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM256764 (US9489013, 35) Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(Cc3cccnc3)C2)S1(=O)=O |r| Show InChI InChI=1S/C26H27F2N7O3S/c1-25(20-12-19(6-7-21(20)28)32-23(36)22-8-5-18(27)14-31-22)26(39(37,38)34(2)24(29)33-25)9-11-35(16-26)15-17-4-3-10-30-13-17/h3-8,10,12-14H,9,11,15-16H2,1-2H3,(H2,29,33)(H,32,36)/t25-,26-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 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 US9489013 (2016) BindingDB Entry DOI: 10.7270/Q2Q81C18
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM256766 (US9489013, 37) Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(Cc3cocn3)C2)S1(=O)=O |r| Show InChI InChI=1S/C24H25F2N7O4S/c1-23(18-9-16(4-5-19(18)26)30-21(34)20-6-3-15(25)10-28-20)24(38(35,36)32(2)22(27)31-23)7-8-33(13-24)11-17-12-37-14-29-17/h3-6,9-10,12,14H,7-8,11,13H2,1-2H3,(H2,27,31)(H,30,34)/t23-,24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 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 US9489013 (2016) BindingDB Entry DOI: 10.7270/Q2Q81C18
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM256813 (US9489013, 84) Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(C2)S(=O)(=O)C2CCCC2)S1(=O)=O |r| Show InChI InChI=1S/C25H30F2N6O5S2/c1-24(19-13-17(8-9-20(19)27)30-22(34)21-10-7-16(26)14-29-21)25(40(37,38)32(2)23(28)31-24)11-12-33(15-25)39(35,36)18-5-3-4-6-18/h7-10,13-14,18H,3-6,11-12,15H2,1-2H3,(H2,28,31)(H,30,34)/t24-,25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...				US Patent US9489013 (2016) BindingDB Entry DOI: 10.7270/Q2Q81C18
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM256803 (US9489013, 74) Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(C2)S(=O)(=O)CC(F)(F)F)S1(=O)=O |r| Show InChI InChI=1S/C22H23F5N6O5S2/c1-20(15-9-14(4-5-16(15)24)30-18(34)17-6-3-13(23)10-29-17)21(40(37,38)32(2)19(28)31-20)7-8-33(11-21)39(35,36)12-22(25,26)27/h3-6,9-10H,7-8,11-12H2,1-2H3,(H2,28,31)(H,30,34)/t20-,21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 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 US9489013 (2016) BindingDB Entry DOI: 10.7270/Q2Q81C18
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM256805 (US9489013, 76) Show SMILES CCS(=O)(=O)N1CC[C@@]2(C1)[C@](C)(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r| Show InChI InChI=1S/C22H26F2N6O5S2/c1-4-36(32,33)30-10-9-22(13-30)21(2,28-20(25)29(3)37(22,34)35)16-11-15(6-7-17(16)24)27-19(31)18-8-5-14(23)12-26-18/h5-8,11-12H,4,9-10,13H2,1-3H3,(H2,25,28)(H,27,31)/t21-,22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 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 US9489013 (2016) BindingDB Entry DOI: 10.7270/Q2Q81C18
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM256806 (US9489013, 77) Show SMILES CC(C)CS(=O)(=O)N1CC[C@@]2(C1)[C@](C)(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r| Show InChI InChI=1S/C24H30F2N6O5S2/c1-15(2)13-38(34,35)32-10-9-24(14-32)23(3,30-22(27)31(4)39(24,36)37)18-11-17(6-7-19(18)26)29-21(33)20-8-5-16(25)12-28-20/h5-8,11-12,15H,9-10,13-14H2,1-4H3,(H2,27,30)(H,29,33)/t23-,24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 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 US9489013 (2016) BindingDB Entry DOI: 10.7270/Q2Q81C18
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM256807 (US9489013, 78) Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(C2)S(=O)(=O)c2ccccc2)S1(=O)=O |r| Show InChI InChI=1S/C26H26F2N6O5S2/c1-25(20-14-18(9-10-21(20)28)31-23(35)22-11-8-17(27)15-30-22)26(41(38,39)33(2)24(29)32-25)12-13-34(16-26)40(36,37)19-6-4-3-5-7-19/h3-11,14-15H,12-13,16H2,1-2H3,(H2,29,32)(H,31,35)/t25-,26-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 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 US9489013 (2016) BindingDB Entry DOI: 10.7270/Q2Q81C18
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM256809 (US9489013, 80) Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(C2)S(=O)(=O)Cc2cccnc2)S1(=O)=O |r| Show InChI InChI=1S/C26H27F2N7O5S2/c1-25(20-12-19(6-7-21(20)28)32-23(36)22-8-5-18(27)14-31-22)26(42(39,40)34(2)24(29)33-25)9-11-35(16-26)41(37,38)15-17-4-3-10-30-13-17/h3-8,10,12-14H,9,11,15-16H2,1-2H3,(H2,29,33)(H,32,36)/t25-,26-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 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 US9489013 (2016) BindingDB Entry DOI: 10.7270/Q2Q81C18
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM256813 (US9489013, 84) Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(C2)S(=O)(=O)C2CCCC2)S1(=O)=O |r| Show InChI InChI=1S/C25H30F2N6O5S2/c1-24(19-13-17(8-9-20(19)27)30-22(34)21-10-7-16(26)14-29-21)25(40(37,38)32(2)23(28)31-24)11-12-33(15-25)39(35,36)18-5-3-4-6-18/h7-10,13-14,18H,3-6,11-12,15H2,1-2H3,(H2,28,31)(H,30,34)/t24-,25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 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 US9489013 (2016) BindingDB Entry DOI: 10.7270/Q2Q81C18
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM256738 (US9489013, 9) Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(CC2CCOC2)C1 |r| Show InChI InChI=1S/C26H33FN6O5S/c1-25(20-12-18(4-6-21(20)27)30-23(34)22-7-5-19(37-3)13-29-22)26(39(35,36)32(2)24(28)31-25)9-10-33(16-26)14-17-8-11-38-15-17/h4-7,12-13,17H,8-11,14-16H2,1-3H3,(H2,28,31)(H,30,34)/t17?,25-,26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...				US Patent US9489013 (2016) BindingDB Entry DOI: 10.7270/Q2Q81C18
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM256735 (US9489013, 6) Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)C2(CCN(C2)C(=O)CC2CC2)S1(=O)=O |r| Show InChI InChI=1S/C25H28F2N6O4S/c1-24(18-12-17(6-7-19(18)27)30-22(35)20-8-5-16(26)13-29-20)25(38(36,37)32(2)23(28)31-24)9-10-33(14-25)21(34)11-15-3-4-15/h5-8,12-13,15H,3-4,9-11,14H2,1-2H3,(H2,28,31)(H,30,35)/t24-,25?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 US9489013 (2016) BindingDB Entry DOI: 10.7270/Q2Q81C18
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM256736 (US9489013, 7) Show SMILES CC(C)CC(=O)N1CCC2(C1)[C@](C)(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r| Show InChI InChI=1S/C25H30F2N6O4S/c1-15(2)11-21(34)33-10-9-25(14-33)24(3,31-23(28)32(4)38(25,36)37)18-12-17(6-7-19(18)27)30-22(35)20-8-5-16(26)13-29-20/h5-8,12-13,15H,9-11,14H2,1-4H3,(H2,28,31)(H,30,35)/t24-,25?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 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 US9489013 (2016) BindingDB Entry DOI: 10.7270/Q2Q81C18
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM256784 (US9489013, 55) Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(C1)S(C)(=O)=O |r| Show InChI InChI=1S/C22H27FN6O6S2/c1-21(22(9-10-29(13-22)36(4,31)32)37(33,34)28(2)20(24)27-21)16-11-14(5-7-17(16)23)26-19(30)18-8-6-15(35-3)12-25-18/h5-8,11-12H,9-10,13H2,1-4H3,(H2,24,27)(H,26,30)/t21-,22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	-49.5	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 US9489013 (2016) BindingDB Entry DOI: 10.7270/Q2Q81C18
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM256768 (US9489013, 39) Show SMILES CCCCN1CC[C@@]2(C1)[C@](C)(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r| Show InChI InChI=1S/C24H30F2N6O3S/c1-4-5-11-32-12-10-24(15-32)23(2,30-22(27)31(3)36(24,34)35)18-13-17(7-8-19(18)26)29-21(33)20-9-6-16(25)14-28-20/h6-9,13-14H,4-5,10-12,15H2,1-3H3,(H2,27,30)(H,29,33)/t23-,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	-49.5	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...				US Patent US9489013 (2016) BindingDB Entry DOI: 10.7270/Q2Q81C18
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM256802 (US9489013, 73) Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(C2)S(=O)(=O)c2ccc(F)cc2)S1(=O)=O |r| Show InChI InChI=1S/C26H25F3N6O5S2/c1-25(20-13-18(6-9-21(20)29)32-23(36)22-10-5-17(28)14-31-22)26(42(39,40)34(2)24(30)33-25)11-12-35(15-26)41(37,38)19-7-3-16(27)4-8-19/h3-10,13-14H,11-12,15H2,1-2H3,(H2,30,33)(H,32,36)/t25-,26-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	-49.5	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 US9489013 (2016) BindingDB Entry DOI: 10.7270/Q2Q81C18
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM256737 (US9489013, 8) Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(Cc2cscn2)C1 |r| Show InChI InChI=1S/C25H28FN7O4S2/c1-24(19-10-16(4-6-20(19)26)30-22(34)21-7-5-18(37-3)11-28-21)25(39(35,36)32(2)23(27)31-24)8-9-33(14-25)12-17-13-38-15-29-17/h4-7,10-11,13,15H,8-9,12,14H2,1-3H3,(H2,27,31)(H,30,34)/t24-,25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	-49.5	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 US9489013 (2016) BindingDB Entry DOI: 10.7270/Q2Q81C18
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM256743 (US9489013, 14) Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(Cc2cnco2)C1 |r| Show InChI InChI=1S/C25H28FN7O5S/c1-24(19-10-16(4-6-20(19)26)30-22(34)21-7-5-17(37-3)12-29-21)25(39(35,36)32(2)23(27)31-24)8-9-33(14-25)13-18-11-28-15-38-18/h4-7,10-12,15H,8-9,13-14H2,1-3H3,(H2,27,31)(H,30,34)/t24-,25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	-49.5	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 US9489013 (2016) BindingDB Entry DOI: 10.7270/Q2Q81C18
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM256762 (US9489013, 33) Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(Cc3cscn3)C2)S1(=O)=O |r| Show InChI InChI=1S/C24H25F2N7O3S2/c1-23(18-9-16(4-5-19(18)26)30-21(34)20-6-3-15(25)10-28-20)24(38(35,36)32(2)22(27)31-23)7-8-33(13-24)11-17-12-37-14-29-17/h3-6,9-10,12,14H,7-8,11,13H2,1-2H3,(H2,27,31)(H,30,34)/t23-,24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	-49.5	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 US9489013 (2016) BindingDB Entry DOI: 10.7270/Q2Q81C18
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM256770 (US9489013, 41) Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(Cc3ccccn3)C2)S1(=O)=O |r| Show InChI InChI=1S/C26H27F2N7O3S/c1-25(20-13-18(7-8-21(20)28)32-23(36)22-9-6-17(27)14-31-22)26(39(37,38)34(2)24(29)33-25)10-12-35(16-26)15-19-5-3-4-11-30-19/h3-9,11,13-14H,10,12,15-16H2,1-2H3,(H2,29,33)(H,32,36)/t25-,26-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	-49.5	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 US9489013 (2016) BindingDB Entry DOI: 10.7270/Q2Q81C18
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM256806 (US9489013, 77) Show SMILES CC(C)CS(=O)(=O)N1CC[C@@]2(C1)[C@](C)(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r| Show InChI InChI=1S/C24H30F2N6O5S2/c1-15(2)13-38(34,35)32-10-9-24(14-32)23(3,30-22(27)31(4)39(24,36)37)18-11-17(6-7-19(18)26)29-21(33)20-8-5-16(25)12-28-20/h5-8,11-12,15H,9-10,13-14H2,1-4H3,(H2,27,30)(H,29,33)/t23-,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	-49.5	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...				US Patent US9489013 (2016) BindingDB Entry DOI: 10.7270/Q2Q81C18
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM256787 (US9489013, 58) Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(C1)S(=O)(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C27H28F2N6O6S2/c1-26(21-14-18(6-10-22(21)29)32-24(36)23-11-7-19(41-3)15-31-23)27(43(39,40)34(2)25(30)33-26)12-13-35(16-27)42(37,38)20-8-4-17(28)5-9-20/h4-11,14-15H,12-13,16H2,1-3H3,(H2,30,33)(H,32,36)/t26-,27-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	-49.5	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 US9489013 (2016) BindingDB Entry DOI: 10.7270/Q2Q81C18
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM256788 (US9489013, 59) Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(C1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C27H29FN6O6S2/c1-26(21-15-18(9-11-22(21)28)31-24(35)23-12-10-19(40-3)16-30-23)27(42(38,39)33(2)25(29)32-26)13-14-34(17-27)41(36,37)20-7-5-4-6-8-20/h4-12,15-16H,13-14,17H2,1-3H3,(H2,29,32)(H,31,35)/t26-,27-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	-49.5	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 US9489013 (2016) BindingDB Entry DOI: 10.7270/Q2Q81C18
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM256791 (US9489013, 62) Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(C1)S(=O)(=O)CC1CCCO1 |r| Show InChI InChI=1S/C26H33FN6O7S2/c1-25(20-13-17(6-8-21(20)27)30-23(34)22-9-7-18(39-3)14-29-22)26(42(37,38)32(2)24(28)31-25)10-11-33(16-26)41(35,36)15-19-5-4-12-40-19/h6-9,13-14,19H,4-5,10-12,15-16H2,1-3H3,(H2,28,31)(H,30,34)/t19?,25-,26-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	-49.5	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 US9489013 (2016) BindingDB Entry DOI: 10.7270/Q2Q81C18
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM256734 (US9489013, 5) Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)C2(CCN(C2)C(=O)C2CC2)S1(=O)=O |r| Show InChI InChI=1S/C24H26F2N6O4S/c1-23(17-11-16(6-7-18(17)26)29-20(33)19-8-5-15(25)12-28-19)24(37(35,36)31(2)22(27)30-23)9-10-32(13-24)21(34)14-3-4-14/h5-8,11-12,14H,3-4,9-10,13H2,1-2H3,(H2,27,30)(H,29,33)/t23-,24?/m1/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 IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...				US Patent US9489013 (2016) BindingDB Entry DOI: 10.7270/Q2Q81C18
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM256730 (US9489013, 1) Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)C2(CCN(Cc3ccccc3)C2)S1(=O)=O |r| Show InChI InChI=1S/C27H28F2N6O3S/c1-26(21-14-20(9-10-22(21)29)32-24(36)23-11-8-19(28)15-31-23)27(39(37,38)34(2)25(30)33-26)12-13-35(17-27)16-18-6-4-3-5-7-18/h3-11,14-15H,12-13,16-17H2,1-2H3,(H2,30,33)(H,32,36)/t26-,27?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 US9489013 (2016) BindingDB Entry DOI: 10.7270/Q2Q81C18
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM256733 (US9489013, 4) Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)C2(CCN(C2)C(C)=O)S1(=O)=O |r| Show InChI InChI=1S/C22H24F2N6O4S/c1-13(31)30-9-8-22(12-30)21(2,28-20(25)29(3)35(22,33)34)16-10-15(5-6-17(16)24)27-19(32)18-7-4-14(23)11-26-18/h4-7,10-11H,8-9,12H2,1-3H3,(H2,25,28)(H,27,32)/t21-,22?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.70	-48.9	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 US9489013 (2016) BindingDB Entry DOI: 10.7270/Q2Q81C18
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM256744 (US9489013, 15) Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(Cc2cncnc2)C1 |r| Show InChI InChI=1S/C26H29FN8O4S/c1-25(20-10-18(4-6-21(20)27)32-23(36)22-7-5-19(39-3)13-31-22)26(40(37,38)34(2)24(28)33-25)8-9-35(15-26)14-17-11-29-16-30-12-17/h4-7,10-13,16H,8-9,14-15H2,1-3H3,(H2,28,33)(H,32,36)/t25-,26-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 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 US9489013 (2016) BindingDB Entry DOI: 10.7270/Q2Q81C18
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM256745 (US9489013, 16) Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(Cc2cnn(C)c2)C1 |r| Show InChI InChI=1S/C26H31FN8O4S/c1-25(20-11-18(5-7-21(20)27)31-23(36)22-8-6-19(39-4)13-29-22)26(40(37,38)34(3)24(28)32-25)9-10-35(16-26)15-17-12-30-33(2)14-17/h5-8,11-14H,9-10,15-16H2,1-4H3,(H2,28,32)(H,31,36)/t25-,26-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 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 US9489013 (2016) BindingDB Entry DOI: 10.7270/Q2Q81C18
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM256746 (US9489013, 17) Show SMILES COC1CC(CN2CC[C@@]3(C2)[C@](C)(NC(=N)N(C)S3(=O)=O)c2cc(NC(=O)c3ccc(OC)cn3)ccc2F)C1 |r,wD:11.12,9.9,(11.25,-2.59,;9.92,-1.82,;8.58,-2.59,;8.19,-4.08,;6.7,-3.68,;5.36,-4.45,;4.03,-3.68,;2.57,-4.15,;1.66,-2.91,;2.57,-1.66,;4.03,-2.14,;1.23,-.89,;.83,-2.38,;1.23,.65,;2.57,1.42,;2.57,2.96,;3.9,.65,;5.23,1.42,;3.9,-.89,;5.23,-1.66,;5.23,-.12,;-.26,-1.29,;-1.34,-.2,;-2.83,-.6,;-3.92,.49,;-5.41,.09,;-5.81,-1.4,;-6.5,1.18,;-6.1,2.67,;-7.19,3.76,;-8.67,3.36,;-9.76,4.45,;-11.25,4.05,;-9.07,1.87,;-7.98,.78,;-3.23,-2.09,;-2.14,-3.18,;-.65,-2.78,;.44,-3.87,;7.1,-2.19,)| Show InChI InChI=1S/C27H35FN6O5S/c1-26(21-13-18(5-7-22(21)28)31-24(35)23-8-6-19(38-3)14-30-23)27(40(36,37)33(2)25(29)32-26)9-10-34(16-27)15-17-11-20(12-17)39-4/h5-8,13-14,17,20H,9-12,15-16H2,1-4H3,(H2,29,32)(H,31,35)/t17?,20?,26-,27-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 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 US9489013 (2016) BindingDB Entry DOI: 10.7270/Q2Q81C18
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM256759 (US9489013, 30) Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(Cc3cnco3)C2)S1(=O)=O |r| Show InChI InChI=1S/C24H25F2N7O4S/c1-23(18-9-16(4-5-19(18)26)30-21(34)20-6-3-15(25)10-29-20)24(38(35,36)32(2)22(27)31-23)7-8-33(13-24)12-17-11-28-14-37-17/h3-6,9-11,14H,7-8,12-13H2,1-2H3,(H2,27,31)(H,30,34)/t23-,24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 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 US9489013 (2016) BindingDB Entry DOI: 10.7270/Q2Q81C18
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM256767 (US9489013, 38) Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(Cc3cncnc3)C2)S1(=O)=O |r| Show InChI InChI=1S/C25H26F2N8O3S/c1-24(19-9-18(4-5-20(19)27)32-22(36)21-6-3-17(26)12-31-21)25(39(37,38)34(2)23(28)33-24)7-8-35(14-25)13-16-10-29-15-30-11-16/h3-6,9-12,15H,7-8,13-14H2,1-2H3,(H2,28,33)(H,32,36)/t24-,25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 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 US9489013 (2016) BindingDB Entry DOI: 10.7270/Q2Q81C18
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM256805 (US9489013, 76) Show SMILES CCS(=O)(=O)N1CC[C@@]2(C1)[C@](C)(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r| Show InChI InChI=1S/C22H26F2N6O5S2/c1-4-36(32,33)30-10-9-22(13-30)21(2,28-20(25)29(3)37(22,34)35)16-11-15(6-7-17(16)24)27-19(31)18-8-5-14(23)12-26-18/h5-8,11-12H,4,9-10,13H2,1-3H3,(H2,25,28)(H,27,31)/t21-,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...				US Patent US9489013 (2016) BindingDB Entry DOI: 10.7270/Q2Q81C18
					More data for this Ligand-Target Pair

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