Compile Data Set for Download or QSAR

Found 143 hits with Last Name = 'khan' and Initial = 'ta'   

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))	BDBM244046 (US9428476, 1b) Show SMILES CN[S@]1(O)C[C@](C)(NC(=N)N1C)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r| Show InChI InChI=1S/C18H22ClFN6O2S/c1-18(10-29(28,22-2)26(3)17(21)25-18)13-8-12(5-6-14(13)20)24-16(27)15-7-4-11(19)9-23-15/h4-9,22,28H,10H2,1-3H3,(H2,21,25)(H,24,27)/t18-/m0/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 BACE-mediated hydrolysis of this peptide results in an increase in relative fluorescence (RFU) at 620 nm after excitation with 320 nm light Inhibitor...				US Patent US9428476 (2016) BindingDB Entry DOI: 10.7270/Q2WQ02Q5
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM244045 (US9428476, 1a) Show SMILES CN[S@@]1(O)C[C@](C)(NC(=N)N1C)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r| Show InChI InChI=1S/C18H22ClFN6O2S/c1-18(10-29(28,22-2)26(3)17(21)25-18)13-8-12(5-6-14(13)20)24-16(27)15-7-4-11(19)9-23-15/h4-9,22,28H,10H2,1-3H3,(H2,21,25)(H,24,27)/t18-/m0/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 BACE-mediated hydrolysis of this peptide results in an increase in relative fluorescence (RFU) at 620 nm after excitation with 320 nm light Inhibitor...				US Patent US9428476 (2016) BindingDB Entry DOI: 10.7270/Q2WQ02Q5
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM242927 (US9422255, 6a) Show SMILES CCN[S@@]1(O)C[C@](C)(NC(=N)C1(C)C)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r| Show InChI InChI=1S/C21H27ClFN5O2S/c1-5-26-31(30)12-21(4,28-19(24)20(31,2)3)15-10-14(7-8-16(15)23)27-18(29)17-9-6-13(22)11-25-17/h6-11,26,30H,5,12H2,1-4H3,(H2,24,28)(H,27,29)/t21-/m0/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 compounds, prepared at 3× the desired final concentration in 1× BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0...				US Patent US9422255 (2016) BindingDB Entry DOI: 10.7270/Q20P0XXS
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM242936 (US9422255, 12a) Show SMILES COCCN[S@]1(O)C[C@](C)(NC(=N)C1(C)C)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r| Show InChI InChI=1S/C22H29ClFN5O3S/c1-21(2)20(25)29-22(3,13-33(21,31)27-9-10-32-4)16-11-15(6-7-17(16)24)28-19(30)18-8-5-14(23)12-26-18/h5-8,11-12,27,31H,9-10,13H2,1-4H3,(H2,25,29)(H,28,30)/t22-/m0/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 compounds, prepared at 3× the desired final concentration in 1× BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0...				US Patent US9422255 (2016) BindingDB Entry DOI: 10.7270/Q20P0XXS
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM242931 (US9422255, 9a) Show SMILES CC1(C)C(=N)N[C@@](C)(C[S@]1(O)NCC1CC1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r| Show InChI InChI=1S/C23H29ClFN5O2S/c1-22(2)21(26)30-23(3,13-33(22,32)28-11-14-4-5-14)17-10-16(7-8-18(17)25)29-20(31)19-9-6-15(24)12-27-19/h6-10,12,14,28,32H,4-5,11,13H2,1-3H3,(H2,26,30)(H,29,31)/t23-/m0/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 compounds, prepared at 3× the desired final concentration in 1× BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0...				US Patent US9422255 (2016) BindingDB Entry DOI: 10.7270/Q20P0XXS
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM242934 (US9422255, 11a) Show SMILES CC1(C)C(=N)N[C@@](C)(C[S@@]1(O)NCCF)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r| Show InChI InChI=1S/C21H26ClF2N5O2S/c1-20(2)19(25)29-21(3,12-32(20,31)27-9-8-23)15-10-14(5-6-16(15)24)28-18(30)17-7-4-13(22)11-26-17/h4-7,10-11,27,31H,8-9,12H2,1-3H3,(H2,25,29)(H,28,30)/t21-/m0/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 compounds, prepared at 3× the desired final concentration in 1× BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0...				US Patent US9422255 (2016) BindingDB Entry DOI: 10.7270/Q20P0XXS
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM244051 (US9428476, 4b) Show SMILES CN[S@]1(O)C[C@](C)(NC(=N)N1C)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r| Show InChI InChI=1S/C18H22F2N6O2S/c1-18(10-29(28,22-2)26(3)17(21)25-18)13-8-12(5-6-14(13)20)24-16(27)15-7-4-11(19)9-23-15/h4-9,22,28H,10H2,1-3H3,(H2,21,25)(H,24,27)/t18-/m0/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 BACE-mediated hydrolysis of this peptide results in an increase in relative fluorescence (RFU) at 620 nm after excitation with 320 nm light Inhibitor...				US Patent US9428476 (2016) BindingDB Entry DOI: 10.7270/Q2WQ02Q5
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM244046 (US9428476, 1b) Show SMILES CN[S@]1(O)C[C@](C)(NC(=N)N1C)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r| Show InChI InChI=1S/C18H22ClFN6O2S/c1-18(10-29(28,22-2)26(3)17(21)25-18)13-8-12(5-6-14(13)20)24-16(27)15-7-4-11(19)9-23-15/h4-9,22,28H,10H2,1-3H3,(H2,21,25)(H,24,27)/t18-/m0/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 This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...				US Patent US9428476 (2016) BindingDB Entry DOI: 10.7270/Q2WQ02Q5
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM242918 (US9422255, 1a) Show SMILES CN[S@@]1(O)C[C@](C)(NC(=N)C1(C)C)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r| Show InChI InChI=1S/C20H25ClFN5O2S/c1-19(2)18(23)27-20(3,11-30(19,29)24-4)14-9-13(6-7-15(14)22)26-17(28)16-8-5-12(21)10-25-16/h5-10,24,29H,11H2,1-4H3,(H2,23,27)(H,26,28)/t20-/m0/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 compounds, prepared at 3× the desired final concentration in 1× BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0...				US Patent US9422255 (2016) BindingDB Entry DOI: 10.7270/Q20P0XXS
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM244051 (US9428476, 4b) Show SMILES CN[S@]1(O)C[C@](C)(NC(=N)N1C)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r| Show InChI InChI=1S/C18H22F2N6O2S/c1-18(10-29(28,22-2)26(3)17(21)25-18)13-8-12(5-6-14(13)20)24-16(27)15-7-4-11(19)9-23-15/h4-9,22,28H,10H2,1-3H3,(H2,21,25)(H,24,27)/t18-/m0/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 This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...				US Patent US9428476 (2016) BindingDB Entry DOI: 10.7270/Q2WQ02Q5
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM242935 (US9422255, 11b) Show SMILES CC1(C)C(=N)N[C@@](C)(C[S@]1(O)NCCF)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r| Show InChI InChI=1S/C21H26ClF2N5O2S/c1-20(2)19(25)29-21(3,12-32(20,31)27-9-8-23)15-10-14(5-6-16(15)24)28-18(30)17-7-4-13(22)11-26-17/h4-7,10-11,27,31H,8-9,12H2,1-3H3,(H2,25,29)(H,28,30)/t21-/m0/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 compounds, prepared at 3× the desired final concentration in 1× BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0...				US Patent US9422255 (2016) BindingDB Entry DOI: 10.7270/Q20P0XXS
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM242937 (US9422255, 12b) Show SMILES COCCN[S@@]1(O)C[C@](C)(NC(=N)C1(C)C)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r| Show InChI InChI=1S/C22H29ClFN5O3S/c1-21(2)20(25)29-22(3,13-33(21,31)27-9-10-32-4)16-11-15(6-7-17(16)24)28-19(30)18-8-5-14(23)12-26-18/h5-8,11-12,27,31H,9-10,13H2,1-4H3,(H2,25,29)(H,28,30)/t22-/m0/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 compounds, prepared at 3× the desired final concentration in 1× BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0...				US Patent US9422255 (2016) BindingDB Entry DOI: 10.7270/Q20P0XXS
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM244050 (US9428476, 4a) Show SMILES CN[S@@]1(O)C[C@](C)(NC(=N)N1C)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r| Show InChI InChI=1S/C18H22F2N6O2S/c1-18(10-29(28,22-2)26(3)17(21)25-18)13-8-12(5-6-14(13)20)24-16(27)15-7-4-11(19)9-23-15/h4-9,22,28H,10H2,1-3H3,(H2,21,25)(H,24,27)/t18-/m0/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 BACE-mediated hydrolysis of this peptide results in an increase in relative fluorescence (RFU) at 620 nm after excitation with 320 nm light Inhibitor...				US Patent US9428476 (2016) BindingDB Entry DOI: 10.7270/Q2WQ02Q5
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM242920 (US9422255, 2a) Show SMILES CN[S@@]1(O)C[C@](C)(NC(=N)C1(C)C)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r| Show InChI InChI=1S/C20H25F2N5O2S/c1-19(2)18(23)27-20(3,11-30(19,29)24-4)14-9-13(6-7-15(14)22)26-17(28)16-8-5-12(21)10-25-16/h5-10,24,29H,11H2,1-4H3,(H2,23,27)(H,26,28)/t20-/m0/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 compounds, prepared at 3× the desired final concentration in 1× BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0...				US Patent US9422255 (2016) BindingDB Entry DOI: 10.7270/Q20P0XXS
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM244052 (US9428476, 5) Show SMILES CCN=S1(=O)C[C@](C)(NC(=N)N1C)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r| Show InChI InChI=1S/C19H22ClFN6O2S/c1-4-24-30(29)11-19(2,26-18(22)27(30)3)14-9-13(6-7-15(14)21)25-17(28)16-8-5-12(20)10-23-16/h5-10H,4,11H2,1-3H3,(H2,22,26)(H,25,28)/t19-,30?/m0/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 BACE-mediated hydrolysis of this peptide results in an increase in relative fluorescence (RFU) at 620 nm after excitation with 320 nm light Inhibitor...				US Patent US9428476 (2016) BindingDB Entry DOI: 10.7270/Q2WQ02Q5
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM242931 (US9422255, 9a) Show SMILES CC1(C)C(=N)N[C@@](C)(C[S@]1(O)NCC1CC1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r| Show InChI InChI=1S/C23H29ClFN5O2S/c1-22(2)21(26)30-23(3,13-33(22,32)28-11-14-4-5-14)17-10-16(7-8-18(17)25)29-20(31)19-9-6-15(24)12-27-19/h6-10,12,14,28,32H,4-5,11,13H2,1-3H3,(H2,26,30)(H,29,31)/t23-/m0/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 Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...				US Patent US9422255 (2016) BindingDB Entry DOI: 10.7270/Q20P0XXS
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM242932 (US9422255, 9b) Show SMILES CC1(C)C(=N)N[C@@](C)(C[S@@]1(O)NCC1CC1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r| Show InChI InChI=1S/C23H29ClFN5O2S/c1-22(2)21(26)30-23(3,13-33(22,32)28-11-14-4-5-14)17-10-16(7-8-18(17)25)29-20(31)19-9-6-15(24)12-27-19/h6-10,12,14,28,32H,4-5,11,13H2,1-3H3,(H2,26,30)(H,29,31)/t23-/m0/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 compounds, prepared at 3× the desired final concentration in 1× BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0...				US Patent US9422255 (2016) BindingDB Entry DOI: 10.7270/Q20P0XXS
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM244053 (US9428476, 6) Show SMILES CCN1C(=N)N[C@@](C)(CS1(=O)=NC)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r| Show InChI InChI=1S/C19H22ClFN6O2S/c1-4-27-18(22)26-19(2,11-30(27,29)23-3)14-9-13(6-7-15(14)21)25-17(28)16-8-5-12(20)10-24-16/h5-10H,4,11H2,1-3H3,(H2,22,26)(H,25,28)/t19-,30?/m0/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 BACE-mediated hydrolysis of this peptide results in an increase in relative fluorescence (RFU) at 620 nm after excitation with 320 nm light Inhibitor...				US Patent US9428476 (2016) BindingDB Entry DOI: 10.7270/Q2WQ02Q5
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM242918 (US9422255, 1a) Show SMILES CN[S@@]1(O)C[C@](C)(NC(=N)C1(C)C)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r| Show InChI InChI=1S/C20H25ClFN5O2S/c1-19(2)18(23)27-20(3,11-30(19,29)24-4)14-9-13(6-7-15(14)22)26-17(28)16-8-5-12(21)10-25-16/h5-10,24,29H,11H2,1-4H3,(H2,23,27)(H,26,28)/t20-/m0/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 Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...				US Patent US9422255 (2016) BindingDB Entry DOI: 10.7270/Q20P0XXS
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM242934 (US9422255, 11a) Show SMILES CC1(C)C(=N)N[C@@](C)(C[S@@]1(O)NCCF)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r| Show InChI InChI=1S/C21H26ClF2N5O2S/c1-20(2)19(25)29-21(3,12-32(20,31)27-9-8-23)15-10-14(5-6-16(15)24)28-18(30)17-7-4-13(22)11-26-17/h4-7,10-11,27,31H,8-9,12H2,1-3H3,(H2,25,29)(H,28,30)/t21-/m0/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 Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...				US Patent US9422255 (2016) BindingDB Entry DOI: 10.7270/Q20P0XXS
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM244048 (US9428476, 2b) Show SMILES CN[S@]1(O)C[C@](C)(NC(=N)N1C)c1cc(NC(=O)c2ccc(OC)cn2)ccc1F |r| Show InChI InChI=1S/C19H25FN6O3S/c1-19(11-30(28,22-2)26(3)18(21)25-19)14-9-12(5-7-15(14)20)24-17(27)16-8-6-13(29-4)10-23-16/h5-10,22,28H,11H2,1-4H3,(H2,21,25)(H,24,27)/t19-/m0/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 This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...				US Patent US9428476 (2016) BindingDB Entry DOI: 10.7270/Q2WQ02Q5
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM242929 (US9422255, 7a) Show SMILES CCN[S@@]1(O)C[C@](C)(NC(=N)C1(C)C)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r| Show InChI InChI=1S/C21H27F2N5O2S/c1-5-26-31(30)12-21(4,28-19(24)20(31,2)3)15-10-14(7-8-16(15)23)27-18(29)17-9-6-13(22)11-25-17/h6-11,26,30H,5,12H2,1-4H3,(H2,24,28)(H,27,29)/t21-/m0/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 compounds, prepared at 3× the desired final concentration in 1× BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0...				US Patent US9422255 (2016) BindingDB Entry DOI: 10.7270/Q20P0XXS
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM242936 (US9422255, 12a) Show SMILES COCCN[S@]1(O)C[C@](C)(NC(=N)C1(C)C)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r| Show InChI InChI=1S/C22H29ClFN5O3S/c1-21(2)20(25)29-22(3,13-33(21,31)27-9-10-32-4)16-11-15(6-7-17(16)24)28-19(30)18-8-5-14(23)12-26-18/h5-8,11-12,27,31H,9-10,13H2,1-4H3,(H2,25,29)(H,28,30)/t22-/m0/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 Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...				US Patent US9422255 (2016) BindingDB Entry DOI: 10.7270/Q20P0XXS
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM242935 (US9422255, 11b) Show SMILES CC1(C)C(=N)N[C@@](C)(C[S@]1(O)NCCF)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r| Show InChI InChI=1S/C21H26ClF2N5O2S/c1-20(2)19(25)29-21(3,12-32(20,31)27-9-8-23)15-10-14(5-6-16(15)24)28-18(30)17-7-4-13(22)11-26-17/h4-7,10-11,27,31H,8-9,12H2,1-3H3,(H2,25,29)(H,28,30)/t21-/m0/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 Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...				US Patent US9422255 (2016) BindingDB Entry DOI: 10.7270/Q20P0XXS
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM242919 (US9422255, 1b) Show SMILES CN[S@]1(O)C[C@](C)(NC(=N)C1(C)C)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r| Show InChI InChI=1S/C20H25ClFN5O2S/c1-19(2)18(23)27-20(3,11-30(19,29)24-4)14-9-13(6-7-15(14)22)26-17(28)16-8-5-12(21)10-25-16/h5-10,24,29H,11H2,1-4H3,(H2,23,27)(H,26,28)/t20-/m0/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 compounds, prepared at 3× the desired final concentration in 1× BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0...				US Patent US9422255 (2016) BindingDB Entry DOI: 10.7270/Q20P0XXS
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM242927 (US9422255, 6a) Show SMILES CCN[S@@]1(O)C[C@](C)(NC(=N)C1(C)C)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r| Show InChI InChI=1S/C21H27ClFN5O2S/c1-5-26-31(30)12-21(4,28-19(24)20(31,2)3)15-10-14(7-8-16(15)23)27-18(29)17-9-6-13(22)11-25-17/h6-11,26,30H,5,12H2,1-4H3,(H2,24,28)(H,27,29)/t21-/m0/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 Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...				US Patent US9422255 (2016) BindingDB Entry DOI: 10.7270/Q20P0XXS
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM242932 (US9422255, 9b) Show SMILES CC1(C)C(=N)N[C@@](C)(C[S@@]1(O)NCC1CC1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r| Show InChI InChI=1S/C23H29ClFN5O2S/c1-22(2)21(26)30-23(3,13-33(22,32)28-11-14-4-5-14)17-10-16(7-8-18(17)25)29-20(31)19-9-6-15(24)12-27-19/h6-10,12,14,28,32H,4-5,11,13H2,1-3H3,(H2,26,30)(H,29,31)/t23-/m0/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 Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...				US Patent US9422255 (2016) BindingDB Entry DOI: 10.7270/Q20P0XXS
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM242930 (US9422255, 8a) Show SMILES CCN[S@@]1(O)C[C@](C)(NC(=N)C1(C)C)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r| Show InChI InChI=1S/C22H27FN6O2S/c1-5-27-32(31)13-22(4,29-20(25)21(32,2)3)16-10-15(7-8-17(16)23)28-19(30)18-9-6-14(11-24)12-26-18/h6-10,12,27,31H,5,13H2,1-4H3,(H2,25,29)(H,28,30)/t22-/m0/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 Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...				US Patent US9422255 (2016) BindingDB Entry DOI: 10.7270/Q20P0XXS
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM242937 (US9422255, 12b) Show SMILES COCCN[S@@]1(O)C[C@](C)(NC(=N)C1(C)C)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r| Show InChI InChI=1S/C22H29ClFN5O3S/c1-21(2)20(25)29-22(3,13-33(21,31)27-9-10-32-4)16-11-15(6-7-17(16)24)28-19(30)18-8-5-14(23)12-26-18/h5-8,11-12,27,31H,9-10,13H2,1-4H3,(H2,25,29)(H,28,30)/t22-/m0/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 Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...				US Patent US9422255 (2016) BindingDB Entry DOI: 10.7270/Q20P0XXS
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM244045 (US9428476, 1a) Show SMILES CN[S@@]1(O)C[C@](C)(NC(=N)N1C)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r| Show InChI InChI=1S/C18H22ClFN6O2S/c1-18(10-29(28,22-2)26(3)17(21)25-18)13-8-12(5-6-14(13)20)24-16(27)15-7-4-11(19)9-23-15/h4-9,22,28H,10H2,1-3H3,(H2,21,25)(H,24,27)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...				US Patent US9428476 (2016) BindingDB Entry DOI: 10.7270/Q2WQ02Q5
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM242930 (US9422255, 8a) Show SMILES CCN[S@@]1(O)C[C@](C)(NC(=N)C1(C)C)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r| Show InChI InChI=1S/C22H27FN6O2S/c1-5-27-32(31)13-22(4,29-20(25)21(32,2)3)16-10-15(7-8-17(16)23)28-19(30)18-9-6-14(11-24)12-26-18/h6-10,12,27,31H,5,13H2,1-4H3,(H2,25,29)(H,28,30)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 Inhibitor compounds, prepared at 3× the desired final concentration in 1× BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0...				US Patent US9422255 (2016) BindingDB Entry DOI: 10.7270/Q20P0XXS
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM242928 (US9422255, 6b) Show SMILES CCN[S@]1(O)C[C@](C)(NC(=N)C1(C)C)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r| Show InChI InChI=1S/C21H27ClFN5O2S/c1-5-26-31(30)12-21(4,28-19(24)20(31,2)3)15-10-14(7-8-16(15)23)27-18(29)17-9-6-13(22)11-25-17/h6-11,26,30H,5,12H2,1-4H3,(H2,24,28)(H,27,29)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 Inhibitor compounds, prepared at 3× the desired final concentration in 1× BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0...				US Patent US9422255 (2016) BindingDB Entry DOI: 10.7270/Q20P0XXS
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM242922 (US9422255, 3a) Show SMILES CN[S@@]1(O)C[C@](C)(NC(=N)C1(C)C)c1cc(NC(=O)c2ccc(OC)cn2)ccc1F |r| Show InChI InChI=1S/C21H28FN5O3S/c1-20(2)19(23)27-21(3,12-31(20,29)24-4)15-10-13(6-8-16(15)22)26-18(28)17-9-7-14(30-5)11-25-17/h6-11,24,29H,12H2,1-5H3,(H2,23,27)(H,26,28)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 Inhibitor compounds, prepared at 3× the desired final concentration in 1× BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0...				US Patent US9422255 (2016) BindingDB Entry DOI: 10.7270/Q20P0XXS
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM242921 (US9422255, 2b) Show SMILES CN[S@]1(O)C[C@](C)(NC(=N)C1(C)C)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r| Show InChI InChI=1S/C20H25F2N5O2S/c1-19(2)18(23)27-20(3,11-30(19,29)24-4)14-9-13(6-7-15(14)22)26-17(28)16-8-5-12(21)10-25-16/h5-10,24,29H,11H2,1-4H3,(H2,23,27)(H,26,28)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6	-47.7	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor compounds, prepared at 3× the desired final concentration in 1× BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0...				US Patent US9422255 (2016) BindingDB Entry DOI: 10.7270/Q20P0XXS
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM242923 (US9422255, 4a) Show SMILES CN[S@]1(O)C[C@](C)(NC(=N)C1(C)C)c1cc(NC(=O)c2cnc(OC)cn2)ccc1F |r| Show InChI InChI=1S/C20H27FN6O3S/c1-19(2)18(22)27-20(3,11-31(19,29)23-4)13-8-12(6-7-14(13)21)26-17(28)15-9-25-16(30-5)10-24-15/h6-10,23,29H,11H2,1-5H3,(H2,22,27)(H,26,28)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6	-47.7	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...				US Patent US9422255 (2016) BindingDB Entry DOI: 10.7270/Q20P0XXS
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM242928 (US9422255, 6b) Show SMILES CCN[S@]1(O)C[C@](C)(NC(=N)C1(C)C)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r| Show InChI InChI=1S/C21H27ClFN5O2S/c1-5-26-31(30)12-21(4,28-19(24)20(31,2)3)15-10-14(7-8-16(15)23)27-18(29)17-9-6-13(22)11-25-17/h6-11,26,30H,5,12H2,1-4H3,(H2,24,28)(H,27,29)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7	-47.3	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...				US Patent US9422255 (2016) BindingDB Entry DOI: 10.7270/Q20P0XXS
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM244052 (US9428476, 5) Show SMILES CCN=S1(=O)C[C@](C)(NC(=N)N1C)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r| Show InChI InChI=1S/C19H22ClFN6O2S/c1-4-24-30(29)11-19(2,26-18(22)27(30)3)14-9-13(6-7-15(14)21)25-17(28)16-8-5-12(20)10-23-16/h5-10H,4,11H2,1-3H3,(H2,22,26)(H,25,28)/t19-,30?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8	-47.0	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...				US Patent US9428476 (2016) BindingDB Entry DOI: 10.7270/Q2WQ02Q5
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM242919 (US9422255, 1b) Show SMILES CN[S@]1(O)C[C@](C)(NC(=N)C1(C)C)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r| Show InChI InChI=1S/C20H25ClFN5O2S/c1-19(2)18(23)27-20(3,11-30(19,29)24-4)14-9-13(6-7-15(14)22)26-17(28)16-8-5-12(21)10-25-16/h5-10,24,29H,11H2,1-4H3,(H2,23,27)(H,26,28)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8	-47.0	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...				US Patent US9422255 (2016) BindingDB Entry DOI: 10.7270/Q20P0XXS
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM242920 (US9422255, 2a) Show SMILES CN[S@@]1(O)C[C@](C)(NC(=N)C1(C)C)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r| Show InChI InChI=1S/C20H25F2N5O2S/c1-19(2)18(23)27-20(3,11-30(19,29)24-4)14-9-13(6-7-15(14)22)26-17(28)16-8-5-12(21)10-25-16/h5-10,24,29H,11H2,1-4H3,(H2,23,27)(H,26,28)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	10	-46.4	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...				US Patent US9422255 (2016) BindingDB Entry DOI: 10.7270/Q20P0XXS
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM244050 (US9428476, 4a) Show SMILES CN[S@@]1(O)C[C@](C)(NC(=N)N1C)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r| Show InChI InChI=1S/C18H22F2N6O2S/c1-18(10-29(28,22-2)26(3)17(21)25-18)13-8-12(5-6-14(13)20)24-16(27)15-7-4-11(19)9-23-15/h4-9,22,28H,10H2,1-3H3,(H2,21,25)(H,24,27)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	10	-46.4	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...				US Patent US9428476 (2016) BindingDB Entry DOI: 10.7270/Q2WQ02Q5
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM244053 (US9428476, 6) Show SMILES CCN1C(=N)N[C@@](C)(CS1(=O)=NC)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r| Show InChI InChI=1S/C19H22ClFN6O2S/c1-4-27-18(22)26-19(2,11-30(27,29)23-3)14-9-13(6-7-15(14)21)25-17(28)16-8-5-12(20)10-24-16/h5-10H,4,11H2,1-3H3,(H2,22,26)(H,25,28)/t19-,30?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	10	-46.4	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...				US Patent US9428476 (2016) BindingDB Entry DOI: 10.7270/Q2WQ02Q5
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM242925 (US9422255, 5a) Show SMILES CN[S@]1(O)C[C@](C)(NC(=N)C1(C)C)c1cc(NC(=O)COC)ccc1F |r| Show InChI InChI=1S/C17H27FN4O3S/c1-16(2)15(19)22-17(3,10-26(16,24)20-4)12-8-11(6-7-13(12)18)21-14(23)9-25-5/h6-8,20,24H,9-10H2,1-5H3,(H2,19,22)(H,21,23)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	10	-46.4	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor compounds, prepared at 3× the desired final concentration in 1× BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0...				US Patent US9422255 (2016) BindingDB Entry DOI: 10.7270/Q20P0XXS
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM242922 (US9422255, 3a) Show SMILES CN[S@@]1(O)C[C@](C)(NC(=N)C1(C)C)c1cc(NC(=O)c2ccc(OC)cn2)ccc1F |r| Show InChI InChI=1S/C21H28FN5O3S/c1-20(2)19(23)27-21(3,12-31(20,29)24-4)15-10-13(6-8-16(15)22)26-18(28)17-9-7-14(30-5)11-25-17/h6-11,24,29H,12H2,1-5H3,(H2,23,27)(H,26,28)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	11	-46.2	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...				US Patent US9422255 (2016) BindingDB Entry DOI: 10.7270/Q20P0XXS
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM242923 (US9422255, 4a) Show SMILES CN[S@]1(O)C[C@](C)(NC(=N)C1(C)C)c1cc(NC(=O)c2cnc(OC)cn2)ccc1F |r| Show InChI InChI=1S/C20H27FN6O3S/c1-19(2)18(22)27-20(3,11-31(19,29)23-4)13-8-12(6-7-14(13)21)26-17(28)15-9-25-16(30-5)10-24-15/h6-10,23,29H,11H2,1-5H3,(H2,22,27)(H,26,28)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	12	-46.0	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor compounds, prepared at 3× the desired final concentration in 1× BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0...				US Patent US9422255 (2016) BindingDB Entry DOI: 10.7270/Q20P0XXS
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM244047 (US9428476, 2a) Show SMILES CN[S@@]1(O)C[C@](C)(NC(=N)N1C)c1cc(NC(=O)c2ccc(OC)cn2)ccc1F |r| Show InChI InChI=1S/C19H25FN6O3S/c1-19(11-30(28,22-2)26(3)18(21)25-19)14-9-12(5-7-15(14)20)24-17(27)16-8-6-13(29-4)10-23-16/h5-10,22,28H,11H2,1-4H3,(H2,21,25)(H,24,27)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	12	-46.0	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description BACE-mediated hydrolysis of this peptide results in an increase in relative fluorescence (RFU) at 620 nm after excitation with 320 nm light Inhibitor...				US Patent US9428476 (2016) BindingDB Entry DOI: 10.7270/Q2WQ02Q5
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM242924 (US9422255, 4b) Show SMILES CN[S@@]1(O)C[C@](C)(NC(=N)C1(C)C)c1cc(NC(=O)c2cnc(OC)cn2)ccc1F |r| Show InChI InChI=1S/C20H27FN6O3S/c1-19(2)18(22)27-20(3,11-31(19,29)23-4)13-8-12(6-7-14(13)21)26-17(28)15-9-25-16(30-5)10-24-15/h6-10,23,29H,11H2,1-5H3,(H2,22,27)(H,26,28)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	14	-45.6	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...				US Patent US9422255 (2016) BindingDB Entry DOI: 10.7270/Q20P0XXS
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM242929 (US9422255, 7a) Show SMILES CCN[S@@]1(O)C[C@](C)(NC(=N)C1(C)C)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r| Show InChI InChI=1S/C21H27F2N5O2S/c1-5-26-31(30)12-21(4,28-19(24)20(31,2)3)15-10-14(7-8-16(15)23)27-18(29)17-9-6-13(22)11-25-17/h6-11,26,30H,5,12H2,1-4H3,(H2,24,28)(H,27,29)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	17	-45.1	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...				US Patent US9422255 (2016) BindingDB Entry DOI: 10.7270/Q20P0XXS
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM244047 (US9428476, 2a) Show SMILES CN[S@@]1(O)C[C@](C)(NC(=N)N1C)c1cc(NC(=O)c2ccc(OC)cn2)ccc1F |r| Show InChI InChI=1S/C19H25FN6O3S/c1-19(11-30(28,22-2)26(3)18(21)25-19)14-9-12(5-7-15(14)20)24-17(27)16-8-6-13(29-4)10-23-16/h5-10,22,28H,11H2,1-4H3,(H2,21,25)(H,24,27)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	19	-44.8	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...				US Patent US9428476 (2016) BindingDB Entry DOI: 10.7270/Q2WQ02Q5
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM242921 (US9422255, 2b) Show SMILES CN[S@]1(O)C[C@](C)(NC(=N)C1(C)C)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r| Show InChI InChI=1S/C20H25F2N5O2S/c1-19(2)18(23)27-20(3,11-30(19,29)24-4)14-9-13(6-7-15(14)22)26-17(28)16-8-5-12(21)10-25-16/h5-10,24,29H,11H2,1-4H3,(H2,23,27)(H,26,28)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	21	-44.6	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...				US Patent US9422255 (2016) BindingDB Entry DOI: 10.7270/Q20P0XXS
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM244049 (US9428476, 3a) Show SMILES CN[S@@]1(O)C[C@](C)(NC(=N)N1C)c1cc(NC(=O)COC)ccc1F |r| Show InChI InChI=1S/C15H24FN5O3S/c1-15(9-25(23,18-2)21(3)14(17)20-15)11-7-10(5-6-12(11)16)19-13(22)8-24-4/h5-7,18,23H,8-9H2,1-4H3,(H2,17,20)(H,19,22)/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	23	-44.3	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description BACE-mediated hydrolysis of this peptide results in an increase in relative fluorescence (RFU) at 620 nm after excitation with 320 nm light Inhibitor...				US Patent US9428476 (2016) BindingDB Entry DOI: 10.7270/Q2WQ02Q5
					More data for this Ligand-Target Pair

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