Compile Data Set for Download or QSAR

Found 170 hits Enz. Inhib. hit(s) with all data for entry = 8352   

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))	BDBM242938 (US9422277, 1) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ccc([nH]1)-c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.690	-53.2	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 US9422277 (2016) BindingDB Entry DOI: 10.7270/Q2VX0FFW
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM242938 (US9422277, 1) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ccc([nH]1)-c1ccccc1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 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 US9422277 (2016) BindingDB Entry DOI: 10.7270/Q2VX0FFW
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM242945 (US9422277, 8) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ccc([nH]1)-c1nnco1 |r| Show InChI	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 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 US9422277 (2016) BindingDB Entry DOI: 10.7270/Q2VX0FFW
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM242957 (US9422277, 20) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccccc1 |r| Show InChI InChI=1S/C17H16ClN5O3S2/c1-17(9-28(24,25)23(2)16(19)20-17)13-11(18)8-12(27-13)15-22-21-14(26-15)10-6-4-3-5-7-10/h3-8H,9H2,1-2H3,(H2,19,20)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.76	-47.1	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 US9422277 (2016) BindingDB Entry DOI: 10.7270/Q2VX0FFW
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM242946 (US9422277, 9) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ccc([nH]1)-c1nnc(C)o1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8.10	-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 US9422277 (2016) BindingDB Entry DOI: 10.7270/Q2VX0FFW
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM242946 (US9422277, 9) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ccc([nH]1)-c1nnc(C)o1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8.24	-46.9	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 US9422277 (2016) BindingDB Entry DOI: 10.7270/Q2VX0FFW
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM242959 (US9422277, 22 | US9422277, 84) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C17H15ClFN5O3S2/c1-17(8-29(25,26)24(2)16(20)21-17)13-11(18)7-12(28-13)15-23-22-14(27-15)9-3-5-10(19)6-4-9/h3-7H,8H2,1-2H3,(H2,20,21)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	10.6	-46.3	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 US9422277 (2016) BindingDB Entry DOI: 10.7270/Q2VX0FFW
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM242945 (US9422277, 8) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ccc([nH]1)-c1nnco1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	10.9	-46.2	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 US9422277 (2016) BindingDB Entry DOI: 10.7270/Q2VX0FFW
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM242947 (US9422277, 10) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ccc([nH]1)-c1nnc(o1)C1CC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	11.3	-46.1	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 US9422277 (2016) BindingDB Entry DOI: 10.7270/Q2VX0FFW
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM242959 (US9422277, 22 | US9422277, 84) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C17H15ClFN5O3S2/c1-17(8-29(25,26)24(2)16(20)21-17)13-11(18)7-12(28-13)15-23-22-14(27-15)9-3-5-10(19)6-4-9/h3-7H,8H2,1-2H3,(H2,20,21)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	13.0	-45.8	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 US9422277 (2016) BindingDB Entry DOI: 10.7270/Q2VX0FFW
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM242956 (US9422277, 19) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1nnc(o1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C17H15ClFN5O3S2/c1-17(8-29(25,26)24(2)16(20)21-17)13-11(19)7-12(28-13)15-23-22-14(27-15)9-3-5-10(18)6-4-9/h3-7H,8H2,1-2H3,(H2,20,21)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	13.6	-45.7	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 US9422277 (2016) BindingDB Entry DOI: 10.7270/Q2VX0FFW
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM242953 (US9422277, 16) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C17H15Cl2N5O3S2/c1-17(8-29(25,26)24(2)16(20)21-17)13-11(19)7-12(28-13)15-23-22-14(27-15)9-3-5-10(18)6-4-9/h3-7H,8H2,1-2H3,(H2,20,21)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	13.8	-45.6	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 US9422277 (2016) BindingDB Entry DOI: 10.7270/Q2VX0FFW
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM242939 (US9422277, 2) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ncc([nH]1)-c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	14.8	-45.4	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 US9422277 (2016) BindingDB Entry DOI: 10.7270/Q2VX0FFW
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM242994 (US9422277, 57) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(Cl)cc1F |r| Show InChI InChI=1S/C17H14Cl2FN5O3S2/c1-17(7-30(26,27)25(2)16(21)22-17)13-10(19)6-12(29-13)15-24-23-14(28-15)9-4-3-8(18)5-11(9)20/h3-6H,7H2,1-2H3,(H2,21,22)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	16.8	-45.1	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 US9422277 (2016) BindingDB Entry DOI: 10.7270/Q2VX0FFW
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM243022 (US9422277, 85) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cnn(c1)-c1ccccc1 |r| Show InChI InChI=1S/C18H18ClN5O2S2/c1-18(11-28(25,26)23(2)17(20)22-18)16-14(19)8-15(27-16)12-9-21-24(10-12)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H2,20,22)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	27.9	-43.8	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 US9422277 (2016) BindingDB Entry DOI: 10.7270/Q2VX0FFW
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM242953 (US9422277, 16) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C17H15Cl2N5O3S2/c1-17(8-29(25,26)24(2)16(20)21-17)13-11(19)7-12(28-13)15-23-22-14(27-15)9-3-5-10(18)6-4-9/h3-7H,8H2,1-2H3,(H2,20,21)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	28.8	-43.8	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 US9422277 (2016) BindingDB Entry DOI: 10.7270/Q2VX0FFW
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM242978 (US9422277, 41) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ncco1 |r| Show InChI InChI=1S/C14H13ClN6O4S2/c1-14(6-27(22,23)21(2)13(16)18-14)9-7(15)5-8(26-9)10-19-20-12(25-10)11-17-3-4-24-11/h3-5H,6H2,1-2H3,(H2,16,18)/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	31.7	-43.5	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 US9422277 (2016) BindingDB Entry DOI: 10.7270/Q2VX0FFW
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM242956 (US9422277, 19) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1nnc(o1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C17H15ClFN5O3S2/c1-17(8-29(25,26)24(2)16(20)21-17)13-11(19)7-12(28-13)15-23-22-14(27-15)9-3-5-10(18)6-4-9/h3-7H,8H2,1-2H3,(H2,20,21)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	31.9	-43.5	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 US9422277 (2016) BindingDB Entry DOI: 10.7270/Q2VX0FFW
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM242960 (US9422277, 23) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C18H15ClN6O3S2/c1-18(9-30(26,27)25(2)17(21)22-18)14-12(19)7-13(29-14)16-24-23-15(28-16)11-5-3-10(8-20)4-6-11/h3-7H,9H2,1-2H3,(H2,21,22)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	34.6	-43.3	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 US9422277 (2016) BindingDB Entry DOI: 10.7270/Q2VX0FFW
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM242954 (US9422277, 17) Show SMILES COc1ccc(cc1)-c1nnc(o1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 |r| Show InChI InChI=1S/C18H18ClN5O4S2/c1-18(9-30(25,26)24(2)17(20)21-18)14-12(19)8-13(29-14)16-23-22-15(28-16)10-4-6-11(27-3)7-5-10/h4-8H,9H2,1-3H3,(H2,20,21)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	34.6	-43.3	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 US9422277 (2016) BindingDB Entry DOI: 10.7270/Q2VX0FFW
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM242944 (US9422277, 7) Show SMILES CC1CN=C(O1)c1ccc([nH]1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 |r,c:3| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	35	-43.3	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 US9422277 (2016) BindingDB Entry DOI: 10.7270/Q2VX0FFW
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM242954 (US9422277, 17) Show SMILES COc1ccc(cc1)-c1nnc(o1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 |r| Show InChI InChI=1S/C18H18ClN5O4S2/c1-18(9-30(25,26)24(2)17(20)21-18)14-12(19)8-13(29-14)16-23-22-15(28-16)10-4-6-11(27-3)7-5-10/h4-8H,9H2,1-3H3,(H2,20,21)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	38.6	-43.0	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 US9422277 (2016) BindingDB Entry DOI: 10.7270/Q2VX0FFW
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM242969 (US9422277, 32) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1nccs1 |r| Show InChI InChI=1S/C14H13ClN6O3S3/c1-14(6-27(22,23)21(2)13(16)18-14)9-7(15)5-8(26-9)10-19-20-11(24-10)12-17-3-4-25-12/h3-5H,6H2,1-2H3,(H2,16,18)/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	44.3	-42.7	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 US9422277 (2016) BindingDB Entry DOI: 10.7270/Q2VX0FFW
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM242960 (US9422277, 23) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C18H15ClN6O3S2/c1-18(9-30(26,27)25(2)17(21)22-18)14-12(19)7-13(29-14)16-24-23-15(28-16)11-5-3-10(8-20)4-6-11/h3-7H,9H2,1-2H3,(H2,21,22)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	44.9	-42.6	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 US9422277 (2016) BindingDB Entry DOI: 10.7270/Q2VX0FFW
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM242948 (US9422277, 11) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-c1ccc([nH]1)-c1nnco1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	45	-42.6	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 US9422277 (2016) BindingDB Entry DOI: 10.7270/Q2VX0FFW
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM242994 (US9422277, 57) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(Cl)cc1F |r| Show InChI InChI=1S/C17H14Cl2FN5O3S2/c1-17(7-30(26,27)25(2)16(21)22-17)13-10(19)6-12(29-13)15-24-23-14(28-15)9-4-3-8(18)5-11(9)20/h3-6H,7H2,1-2H3,(H2,21,22)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	50.7	-42.3	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 US9422277 (2016) BindingDB Entry DOI: 10.7270/Q2VX0FFW
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM243016 (US9422277, 79) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(OC(F)F)cc1 |r| Show InChI InChI=1S/C18H16ClF2N5O4S2/c1-18(8-32(27,28)26(2)17(22)23-18)13-11(19)7-12(31-13)15-25-24-14(30-15)9-3-5-10(6-4-9)29-16(20)21/h3-7,16H,8H2,1-2H3,(H2,22,23)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	51.6	-42.3	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 US9422277 (2016) BindingDB Entry DOI: 10.7270/Q2VX0FFW
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM242950 (US9422277, 13 | US9422277, 15) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-c1cc(on1)-c1ccccc1 |r| Show InChI InChI=1S/C20H19FN4O3S/c1-20(12-29(26,27)25(2)19(22)23-20)15-10-14(8-9-16(15)21)17-11-18(28-24-17)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H2,22,23)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	52.6	-42.2	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 US9422277 (2016) BindingDB Entry DOI: 10.7270/Q2VX0FFW
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM243015 (US9422277, 78) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C18H15ClF3N5O4S2/c1-17(8-33(28,29)27(2)16(23)24-17)13-11(19)7-12(32-13)15-26-25-14(30-15)9-3-5-10(6-4-9)31-18(20,21)22/h3-7H,8H2,1-2H3,(H2,23,24)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	56.0	-42.1	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 US9422277 (2016) BindingDB Entry DOI: 10.7270/Q2VX0FFW
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM242958 (US9422277, 21) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccccn1 |r| Show InChI InChI=1S/C16H15ClN6O3S2/c1-16(8-28(24,25)23(2)15(18)20-16)12-9(17)7-11(27-12)14-22-21-13(26-14)10-5-3-4-6-19-10/h3-7H,8H2,1-2H3,(H2,18,20)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	58.4	-42.0	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 US9422277 (2016) BindingDB Entry DOI: 10.7270/Q2VX0FFW
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM242955 (US9422277, 18) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C18H15ClF3N5O3S2/c1-17(8-32(28,29)27(2)16(23)24-17)13-11(19)7-12(31-13)15-26-25-14(30-15)9-3-5-10(6-4-9)18(20,21)22/h3-7H,8H2,1-2H3,(H2,23,24)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	58.9	-42.0	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 US9422277 (2016) BindingDB Entry DOI: 10.7270/Q2VX0FFW
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM242959 (US9422277, 22 | US9422277, 84) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C17H15ClFN5O3S2/c1-17(8-29(25,26)24(2)16(20)21-17)13-11(18)7-12(28-13)15-23-22-14(27-15)9-3-5-10(19)6-4-9/h3-7H,8H2,1-2H3,(H2,20,21)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	65.5	-41.7	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 US9422277 (2016) BindingDB Entry DOI: 10.7270/Q2VX0FFW
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM242943 (US9422277, 6) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ccc([nH]1)C1=NCCO1 |r,t:25| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	69	-41.6	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 US9422277 (2016) BindingDB Entry DOI: 10.7270/Q2VX0FFW
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM242974 (US9422277, 37) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1cscn1 |r| Show InChI InChI=1S/C14H13ClN6O3S3/c1-14(5-27(22,23)21(2)13(16)18-14)10-7(15)3-9(26-10)12-20-19-11(24-12)8-4-25-6-17-8/h3-4,6H,5H2,1-2H3,(H2,16,18)/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	69.1	-41.6	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 US9422277 (2016) BindingDB Entry DOI: 10.7270/Q2VX0FFW
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM242996 (US9422277, 59) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C17H14ClF2N5O3S2/c1-17(7-30(26,27)25(2)16(21)22-17)13-9(18)6-12(29-13)15-24-23-14(28-15)8-3-4-10(19)11(20)5-8/h3-6H,7H2,1-2H3,(H2,21,22)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	81.3	-41.1	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 US9422277 (2016) BindingDB Entry DOI: 10.7270/Q2VX0FFW
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM242999 (US9422277, 62) Show SMILES CCCOc1ccc(cc1)-c1nnc(o1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 |r| Show InChI InChI=1S/C20H22ClN5O4S2/c1-4-9-29-13-7-5-12(6-8-13)17-24-25-18(30-17)15-10-14(21)16(31-15)20(2)11-32(27,28)26(3)19(22)23-20/h5-8,10H,4,9,11H2,1-3H3,(H2,22,23)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	84.2	-41.1	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 US9422277 (2016) BindingDB Entry DOI: 10.7270/Q2VX0FFW
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM242944 (US9422277, 7) Show SMILES CC1CN=C(O1)c1ccc([nH]1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 |r,c:3| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	87	-41.0	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 US9422277 (2016) BindingDB Entry DOI: 10.7270/Q2VX0FFW
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM242947 (US9422277, 10) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ccc([nH]1)-c1nnc(o1)C1CC1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	87	-41.0	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 US9422277 (2016) BindingDB Entry DOI: 10.7270/Q2VX0FFW
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM242940 (US9422277, 3) Show SMILES CN1\C(N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ncc([nH]1)-c1ccccn1)=N/C(=O)OC(C)(C)C |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	87.9	-40.9	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 US9422277 (2016) BindingDB Entry DOI: 10.7270/Q2VX0FFW
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM242967 (US9422277, 30) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1cc2ccccn2n1 |r| Show InChI InChI=1S/C18H16ClN7O3S2/c1-18(9-31(27,28)25(2)17(20)21-18)14-11(19)8-13(30-14)16-23-22-15(29-16)12-7-10-5-3-4-6-26(10)24-12/h3-8H,9H2,1-2H3,(H2,20,21)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	96.8	-40.7	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 US9422277 (2016) BindingDB Entry DOI: 10.7270/Q2VX0FFW
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM242998 (US9422277, 61) Show SMILES CCCCOc1ccc(cc1)-c1nnc(o1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 |r| Show InChI InChI=1S/C21H24ClN5O4S2/c1-4-5-10-30-14-8-6-13(7-9-14)18-25-26-19(31-18)16-11-15(22)17(32-16)21(2)12-33(28,29)27(3)20(23)24-21/h6-9,11H,4-5,10,12H2,1-3H3,(H2,23,24)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	100	-40.6	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 US9422277 (2016) BindingDB Entry DOI: 10.7270/Q2VX0FFW
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM242959 (US9422277, 22 | US9422277, 84) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C17H15ClFN5O3S2/c1-17(8-29(25,26)24(2)16(20)21-17)13-11(18)7-12(28-13)15-23-22-14(27-15)9-3-5-10(19)6-4-9/h3-7H,8H2,1-2H3,(H2,20,21)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	102	-40.6	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 US9422277 (2016) BindingDB Entry DOI: 10.7270/Q2VX0FFW
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM242973 (US9422277, 36) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ncccn1 |r| Show InChI InChI=1S/C15H14ClN7O3S2/c1-15(7-28(24,25)23(2)14(17)20-15)10-8(16)6-9(27-10)12-21-22-13(26-12)11-18-4-3-5-19-11/h3-6H,7H2,1-2H3,(H2,17,20)/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	105	-40.5	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 US9422277 (2016) BindingDB Entry DOI: 10.7270/Q2VX0FFW
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM242957 (US9422277, 20) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccccc1 |r| Show InChI InChI=1S/C17H16ClN5O3S2/c1-17(9-28(24,25)23(2)16(19)20-17)13-11(18)8-12(27-13)15-22-21-14(26-15)10-6-4-3-5-7-10/h3-8H,9H2,1-2H3,(H2,19,20)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	106	-40.5	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 US9422277 (2016) BindingDB Entry DOI: 10.7270/Q2VX0FFW
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM243013 (US9422277, 76) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(cc1)-c1ccon1 |r| Show InChI InChI=1S/C20H17ClN6O4S2/c1-20(10-33(28,29)27(2)19(22)23-20)16-13(21)9-15(32-16)18-25-24-17(31-18)12-5-3-11(4-6-12)14-7-8-30-26-14/h3-9H,10H2,1-2H3,(H2,22,23)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	109	-40.4	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 US9422277 (2016) BindingDB Entry DOI: 10.7270/Q2VX0FFW
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM242939 (US9422277, 2) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ncc([nH]1)-c1ccccc1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	112	-40.3	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 US9422277 (2016) BindingDB Entry DOI: 10.7270/Q2VX0FFW
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM242985 (US9422277, 48) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)C1CC1 |r| Show InChI InChI=1S/C14H16ClN5O3S2/c1-14(6-25(21,22)20(2)13(16)17-14)10-8(15)5-9(24-10)12-19-18-11(23-12)7-3-4-7/h5,7H,3-4,6H2,1-2H3,(H2,16,17)/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	116	-40.3	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 US9422277 (2016) BindingDB Entry DOI: 10.7270/Q2VX0FFW
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM242996 (US9422277, 59) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C17H14ClF2N5O3S2/c1-17(7-30(26,27)25(2)16(21)22-17)13-9(18)6-12(29-13)15-24-23-14(28-15)8-3-4-10(19)11(20)5-8/h3-6H,7H2,1-2H3,(H2,21,22)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	118	-40.2	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 US9422277 (2016) BindingDB Entry DOI: 10.7270/Q2VX0FFW
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM242975 (US9422277, 38) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)C1Cc2ccccc2C1 |r| Show InChI InChI=1S/C20H20ClN5O3S2/c1-20(10-31(27,28)26(2)19(22)23-20)16-14(21)9-15(30-16)18-25-24-17(29-18)13-7-11-5-3-4-6-12(11)8-13/h3-6,9,13H,7-8,10H2,1-2H3,(H2,22,23)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	124	-40.1	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 US9422277 (2016) BindingDB Entry DOI: 10.7270/Q2VX0FFW
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM242983 (US9422277, 46) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccn(C)n1 |r| Show InChI InChI=1S/C15H16ClN7O3S2/c1-15(7-28(24,25)23(3)14(17)18-15)11-8(16)6-10(27-11)13-20-19-12(26-13)9-4-5-22(2)21-9/h4-6H,7H2,1-3H3,(H2,17,18)/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	130	-40.0	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 US9422277 (2016) BindingDB Entry DOI: 10.7270/Q2VX0FFW
					More data for this Ligand-Target Pair

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