Compile Data Set for Download or QSAR

Found 2941 hits with Last Name = 'dai' and Initial = 'x'   

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
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50608295 (CHEMBL5271774) Show SMILES Cc1c(C(=O)CC(C#N)C#N)c(=O)n(-c2ccccc2)n1C Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.0140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50608296 (CHEMBL5270286) Show SMILES Cc1c(-c2cc(C#N)c(N)o2)c(=O)n(-c2ccccc2)n1C Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.346	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM228057 (US10047098, 85) Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)c1ccc(F)cc1)c1cc(OCC2CC2)ccc1F |r| Show InChI InChI=1S/C24H25F2N3O3/c1-29-22(30)19-11-21(15-4-6-16(25)7-5-15)32-13-24(19,28-23(29)27)18-10-17(8-9-20(18)26)31-12-14-2-3-14/h4-10,14,19,21H,2-3,11-13H2,1H3,(H2,27,28)/t19-,21+,24+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.760	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...				US Patent US10047098 (2018) BindingDB Entry DOI: 10.7270/Q2V69MMC
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM227970 (US10047098, 3) Show SMILES COC[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2ncccc2F)c(F)cc1F |r| Show InChI InChI=1S/C21H21F3N4O4/c1-28-19(29)13-6-11(9-30-2)31-10-21(13,27-20(28)25)12-7-17(16(24)8-15(12)23)32-18-14(22)4-3-5-26-18/h3-5,7-8,11,13H,6,9-10H2,1-2H3,(H2,25,27)/t11-,13+,21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...				US Patent US10047098 (2018) BindingDB Entry DOI: 10.7270/Q2V69MMC
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50063581 (CHEMBL3398612) Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1nc(c(Cl)[nH]1)-c1ccc2c(N)n[nH]c2c1 |r,wU:5.8,wD:2.1,11.11,(25.62,-40.59,;26.39,-39.26,;27.93,-39.26,;28.7,-40.59,;30.24,-40.59,;31.01,-39.26,;30.24,-37.93,;28.7,-37.93,;32.55,-39.26,;33.32,-40.59,;33.32,-37.93,;34.86,-37.93,;35.63,-39.26,;37.17,-39.26,;37.94,-37.93,;39.48,-37.93,;40.25,-39.26,;39.48,-40.59,;37.94,-40.59,;35.63,-36.59,;35.01,-35.19,;36.14,-34.15,;37.48,-34.93,;38.89,-34.3,;37.16,-36.43,;35.98,-32.62,;37.23,-31.72,;37.07,-30.19,;35.66,-29.56,;35.19,-28.09,;36.09,-26.85,;33.65,-28.09,;33.17,-29.56,;34.42,-30.47,;34.58,-32,)| Show InChI InChI=1S/C26H28ClN7O/c27-23-22(18-10-11-19-20(13-18)33-34-24(19)29)31-25(32-23)21(12-15-4-2-1-3-5-15)30-26(35)17-8-6-16(14-28)7-9-17/h1-5,10-11,13,16-17,21H,6-9,12,14,28-29H2,(H,30,35)/b22-18-/t16-,17-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113437 BindingDB Entry DOI: 10.7270/Q22N5622
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM439198 (US10604534, Example 1) Show SMILES C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2ncccc2F)ccc1F |r| Show InChI InChI=1S/C19H20F2N4O4S/c1-11-8-16-19(10-28-11,24-18(22)25(2)30(16,26)27)13-9-12(5-6-14(13)20)29-17-15(21)4-3-7-23-17/h3-7,9,11,16H,8,10H2,1-2H3,(H2,22,24)/t11-,16+,19+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BACE-2: Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY...				US Patent US10604534 (2020) BindingDB Entry DOI: 10.7270/Q2057JXQ
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM448210 (US10689401, EX 14 | US11008338, Example 14) Show SMILES CC1(C)C(=N)N[C@]2(CO[C@H](C[C@H]2S1(=O)=O)c1ccc(F)cc1)c1cc(Oc2ncccc2F)ccc1F |r| Show InChI InChI=1S/C26H24F3N3O4S/c1-25(2)24(30)32-26(18-12-17(9-10-19(18)28)36-23-20(29)4-3-11-31-23)14-35-21(13-22(26)37(25,33)34)15-5-7-16(27)8-6-15/h3-12,21-22H,13-14H2,1-2H3,(H2,30,32)/t21-,22-,26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BACE-2: Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY...				US Patent US10689401 (2020) BindingDB Entry DOI: 10.7270/Q2N87DS6
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM448210 (US10689401, EX 14 | US11008338, Example 14) Show SMILES CC1(C)C(=N)N[C@]2(CO[C@H](C[C@H]2S1(=O)=O)c1ccc(F)cc1)c1cc(Oc2ncccc2F)ccc1F |r| Show InChI InChI=1S/C26H24F3N3O4S/c1-25(2)24(30)32-26(18-12-17(9-10-19(18)28)36-23-20(29)4-3-11-31-23)14-35-21(13-22(26)37(25,33)34)15-5-7-16(27)8-6-15/h3-12,21-22H,13-14H2,1-2H3,(H2,30,32)/t21-,22-,26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BACE2: Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7...				US Patent US11008338 (2021) BindingDB Entry DOI: 10.7270/Q2RF5Z46
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM439250 (US10604534, Example 10) Show SMILES COC[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2cc(ccn2)C#N)ccc1F |r| Show InChI InChI=1S/C21H22FN5O5S/c1-27-20(24)26-21(12-31-15(11-30-2)9-18(21)33(27,28)29)16-8-14(3-4-17(16)22)32-19-7-13(10-23)5-6-25-19/h3-8,15,18H,9,11-12H2,1-2H3,(H2,24,26)/t15-,18-,21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BACE1: Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); A...				US Patent US10604534 (2020) BindingDB Entry DOI: 10.7270/Q2057JXQ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM227977 (US10047098, 9) Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cc(ccn2)C#N)c(F)cc1F |r| Show InChI InChI=1S/C21H19F2N5O3/c1-11-5-14-19(29)28(2)20(25)27-21(14,10-30-11)13-7-17(16(23)8-15(13)22)31-18-6-12(9-24)3-4-26-18/h3-4,6-8,11,14H,5,10H2,1-2H3,(H2,25,27)/t11-,14-,21+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...				US Patent US10047098 (2018) BindingDB Entry DOI: 10.7270/Q2V69MMC
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM227978 (US10047098, 10) Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2ncccc2F)c(F)cc1F |r| Show InChI InChI=1S/C20H19F3N4O3/c1-10-6-12-18(28)27(2)19(24)26-20(12,9-29-10)11-7-16(15(23)8-14(11)22)30-17-13(21)4-3-5-25-17/h3-5,7-8,10,12H,6,9H2,1-2H3,(H2,24,26)/t10-,12-,20+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...				US Patent US10047098 (2018) BindingDB Entry DOI: 10.7270/Q2V69MMC
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM227982 (US10047098, 14) Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2cc(ccn2)C#N)ccc1F |r| Show InChI InChI=1S/C23H22FN5O3/c1-29-21(30)17-10-19(14-2-3-14)31-12-23(17,28-22(29)26)16-9-15(4-5-18(16)24)32-20-8-13(11-25)6-7-27-20/h4-9,14,17,19H,2-3,10,12H2,1H3,(H2,26,28)/t17-,19+,23+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...				US Patent US10047098 (2018) BindingDB Entry DOI: 10.7270/Q2V69MMC
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM227983 (US10047098, 15) Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2ncccc2F)ccc1F |r| Show InChI InChI=1S/C22H22F2N4O3/c1-28-20(29)15-10-18(12-4-5-12)30-11-22(15,27-21(28)25)14-9-13(6-7-16(14)23)31-19-17(24)3-2-8-26-19/h2-3,6-9,12,15,18H,4-5,10-11H2,1H3,(H2,25,27)/t15-,18+,22+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...				US Patent US10047098 (2018) BindingDB Entry DOI: 10.7270/Q2V69MMC
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM439297 (US10604534, Example 14) Show SMILES COC[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(OCC2CC2)ccc1F |r| Show InChI InChI=1S/C19H26FN3O5S/c1-23-18(21)22-19(11-28-14(10-26-2)8-17(19)29(23,24)25)15-7-13(5-6-16(15)20)27-9-12-3-4-12/h5-7,12,14,17H,3-4,8-11H2,1-2H3,(H2,21,22)/t14-,17-,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BACE-2: Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY...				US Patent US10604534 (2020) BindingDB Entry DOI: 10.7270/Q2057JXQ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM439296 (US10604534, Example 13) Show SMILES COC[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2cc(F)cnc2F)ccc1F |r| Show InChI InChI=1S/C20H21F3N4O5S/c1-27-19(24)26-20(10-31-13(9-30-2)7-17(20)33(27,28)29)14-6-12(3-4-15(14)22)32-16-5-11(21)8-25-18(16)23/h3-6,8,13,17H,7,9-10H2,1-2H3,(H2,24,26)/t13-,17-,20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BACE1: Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); A...				US Patent US10604534 (2020) BindingDB Entry DOI: 10.7270/Q2057JXQ
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM227991 (US10047098, 23 | US10047098, 92) Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(OCC2CC2)ccc1F |r| Show InChI InChI=1S/C19H24FN3O3/c1-11-7-15-17(24)23(2)18(21)22-19(15,10-26-11)14-8-13(5-6-16(14)20)25-9-12-3-4-12/h5-6,8,11-12,15H,3-4,7,9-10H2,1-2H3,(H2,21,22)/t11-,15-,19+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.19	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...				US Patent US10047098 (2018) BindingDB Entry DOI: 10.7270/Q2V69MMC
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM228006 (US10047098, 34) Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2cccc(n2)-n2cccn2)ccc1F |r| Show InChI InChI=1S/C25H25FN6O3/c1-31-23(33)18-13-20(15-6-7-15)34-14-25(18,30-24(31)27)17-12-16(8-9-19(17)26)35-22-5-2-4-21(29-22)32-11-3-10-28-32/h2-5,8-12,15,18,20H,6-7,13-14H2,1H3,(H2,27,30)/t18-,20+,25+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.20	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...				US Patent US10047098 (2018) BindingDB Entry DOI: 10.7270/Q2V69MMC
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM337570 (US9745324, 39) Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1F |r| Show InChI InChI=1S/C22H25FN6O4S/c1-6-9-33-18-12-25-17(11-26-18)19(30)27-14-7-8-16(23)15(10-14)22(4)13-29(5)34(31,32)21(2,3)20(24)28-22/h1,7-8,10-12H,9,13H2,2-5H3,(H2,24,28)(H,27,30)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...				US Patent US9745324 (2017) BindingDB Entry DOI: 10.7270/Q2MS3VW8
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM439200 (US10604534, Example 3) Show SMILES C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2cc(ccn2)C#N)ccc1F |r| Show InChI InChI=1S/C20H20FN5O4S/c1-12-7-17-20(11-29-12,25-19(23)26(2)31(17,27)28)15-9-14(3-4-16(15)21)30-18-8-13(10-22)5-6-24-18/h3-6,8-9,12,17H,7,11H2,1-2H3,(H2,23,25)/t12-,17+,20+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BACE-2: Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY...				US Patent US10604534 (2020) BindingDB Entry DOI: 10.7270/Q2057JXQ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM439200 (US10604534, Example 3) Show SMILES C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2cc(ccn2)C#N)ccc1F |r| Show InChI InChI=1S/C20H20FN5O4S/c1-12-7-17-20(11-29-12,25-19(23)26(2)31(17,27)28)15-9-14(3-4-16(15)21)30-18-8-13(10-22)5-6-24-18/h3-6,8-9,12,17H,7,11H2,1-2H3,(H2,23,25)/t12-,17+,20+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BACE1: Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); A...				US Patent US10604534 (2020) BindingDB Entry DOI: 10.7270/Q2057JXQ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM228000 (US10047098, 30) Show SMILES COC[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cc(ccn2)C#N)ccc1F |r| Show InChI InChI=1S/C22H22FN5O4/c1-28-20(29)17-9-15(11-30-2)31-12-22(17,27-21(28)25)16-8-14(3-4-18(16)23)32-19-7-13(10-24)5-6-26-19/h3-8,15,17H,9,11-12H2,1-2H3,(H2,25,27)/t15-,17+,22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...				US Patent US10047098 (2018) BindingDB Entry DOI: 10.7270/Q2V69MMC
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM228033 (US10047098, 59) Show SMILES COC[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cc(F)cnc2F)c(F)cc1F |r| Show InChI InChI=1S/C21H20F4N4O4/c1-29-19(30)13-4-11(8-31-2)32-9-21(13,28-20(29)26)12-5-16(15(24)6-14(12)23)33-17-3-10(22)7-27-18(17)25/h3,5-7,11,13H,4,8-9H2,1-2H3,(H2,26,28)/t11-,13+,21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...				US Patent US10047098 (2018) BindingDB Entry DOI: 10.7270/Q2V69MMC
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM227969 (US10047098, 2) Show SMILES COC[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cc(ccn2)C#N)c(F)cc1F |r| Show InChI InChI=1S/C22H21F2N5O4/c1-29-20(30)15-6-13(10-31-2)32-11-22(15,28-21(29)26)14-7-18(17(24)8-16(14)23)33-19-5-12(9-25)3-4-27-19/h3-5,7-8,13,15H,6,10-11H2,1-2H3,(H2,26,28)/t13-,15+,22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...				US Patent US10047098 (2018) BindingDB Entry DOI: 10.7270/Q2V69MMC
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM227970 (US10047098, 3) Show SMILES COC[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2ncccc2F)c(F)cc1F |r| Show InChI InChI=1S/C21H21F3N4O4/c1-28-19(29)13-6-11(9-30-2)31-10-21(13,27-20(28)25)12-7-17(16(24)8-15(12)23)32-18-14(22)4-3-5-26-18/h3-5,7-8,11,13H,6,9-10H2,1-2H3,(H2,25,27)/t11-,13+,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...				US Patent US10047098 (2018) BindingDB Entry DOI: 10.7270/Q2V69MMC
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM228057 (US10047098, 85) Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)c1ccc(F)cc1)c1cc(OCC2CC2)ccc1F |r| Show InChI InChI=1S/C24H25F2N3O3/c1-29-22(30)19-11-21(15-4-6-16(25)7-5-15)32-13-24(19,28-23(29)27)18-10-17(8-9-20(18)26)31-12-14-2-3-14/h4-10,14,19,21H,2-3,11-13H2,1H3,(H2,27,28)/t19-,21+,24+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.20	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...				US Patent US10047098 (2018) BindingDB Entry DOI: 10.7270/Q2V69MMC
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM439198 (US10604534, Example 1) Show SMILES C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2ncccc2F)ccc1F |r| Show InChI InChI=1S/C19H20F2N4O4S/c1-11-8-16-19(10-28-11,24-18(22)25(2)30(16,26)27)13-9-12(5-6-14(13)20)29-17-15(21)4-3-7-23-17/h3-7,9,11,16H,8,10H2,1-2H3,(H2,22,24)/t11-,16+,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BACE1: Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); A...				US Patent US10604534 (2020) BindingDB Entry DOI: 10.7270/Q2057JXQ
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM439250 (US10604534, Example 10) Show SMILES COC[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2cc(ccn2)C#N)ccc1F |r| Show InChI InChI=1S/C21H22FN5O5S/c1-27-20(24)26-21(12-31-15(11-30-2)9-18(21)33(27,28)29)16-8-14(3-4-17(16)22)32-19-7-13(10-23)5-6-25-19/h3-8,15,18H,9,11-12H2,1-2H3,(H2,24,26)/t15-,18-,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BACE-2: Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY...				US Patent US10604534 (2020) BindingDB Entry DOI: 10.7270/Q2057JXQ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM448210 (US10689401, EX 14 | US11008338, Example 14) Show SMILES CC1(C)C(=N)N[C@]2(CO[C@H](C[C@H]2S1(=O)=O)c1ccc(F)cc1)c1cc(Oc2ncccc2F)ccc1F |r| Show InChI InChI=1S/C26H24F3N3O4S/c1-25(2)24(30)32-26(18-12-17(9-10-19(18)28)36-23-20(29)4-3-11-31-23)14-35-21(13-22(26)37(25,33)34)15-5-7-16(27)8-6-15/h3-12,21-22H,13-14H2,1-2H3,(H2,30,32)/t21-,22-,26-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BACE1: A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This a...				US Patent US10689401 (2020) BindingDB Entry DOI: 10.7270/Q2N87DS6
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM448210 (US10689401, EX 14 | US11008338, Example 14) Show SMILES CC1(C)C(=N)N[C@]2(CO[C@H](C[C@H]2S1(=O)=O)c1ccc(F)cc1)c1cc(Oc2ncccc2F)ccc1F |r| Show InChI InChI=1S/C26H24F3N3O4S/c1-25(2)24(30)32-26(18-12-17(9-10-19(18)28)36-23-20(29)4-3-11-31-23)14-35-21(13-22(26)37(25,33)34)15-5-7-16(27)8-6-15/h3-12,21-22H,13-14H2,1-2H3,(H2,30,32)/t21-,22-,26-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BACE1: A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This a...				US Patent US11008338 (2021) BindingDB Entry DOI: 10.7270/Q2RF5Z46
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM228028 (US10047098, 54) Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(OCC23CC(C2)C3)ccc1F |r| Show InChI InChI=1S/C23H28FN3O3/c1-27-20(28)17-7-19(14-2-3-14)30-12-23(17,26-21(27)25)16-6-15(4-5-18(16)24)29-11-22-8-13(9-22)10-22/h4-6,13-14,17,19H,2-3,7-12H2,1H3,(H2,25,26)/t13?,17-,19+,22?,23+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...				US Patent US10047098 (2018) BindingDB Entry DOI: 10.7270/Q2V69MMC
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM227977 (US10047098, 9) Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cc(ccn2)C#N)c(F)cc1F |r| Show InChI InChI=1S/C21H19F2N5O3/c1-11-5-14-19(29)28(2)20(25)27-21(14,10-30-11)13-7-17(16(23)8-15(13)22)31-18-6-12(9-24)3-4-26-18/h3-4,6-8,11,14H,5,10H2,1-2H3,(H2,25,27)/t11-,14-,21+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...				US Patent US10047098 (2018) BindingDB Entry DOI: 10.7270/Q2V69MMC
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM227978 (US10047098, 10) Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2ncccc2F)c(F)cc1F |r| Show InChI InChI=1S/C20H19F3N4O3/c1-10-6-12-18(28)27(2)19(24)26-20(12,9-29-10)11-7-16(15(23)8-14(11)22)30-17-13(21)4-3-5-25-17/h3-5,7-8,10,12H,6,9H2,1-2H3,(H2,24,26)/t10-,12-,20+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...				US Patent US10047098 (2018) BindingDB Entry DOI: 10.7270/Q2V69MMC
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM228001 (US10047098, 31) Show SMILES COC[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2ncccc2F)ccc1F |r| Show InChI InChI=1S/C21H22F2N4O4/c1-27-19(28)15-9-13(10-29-2)30-11-21(15,26-20(27)24)14-8-12(5-6-16(14)22)31-18-17(23)4-3-7-25-18/h3-8,13,15H,9-11H2,1-2H3,(H2,24,26)/t13-,15+,21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...				US Patent US10047098 (2018) BindingDB Entry DOI: 10.7270/Q2V69MMC
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50517021 (CHEMBL4445985) Show SMILES CC(C)CCOc1ccc(cc1C#N)-c1ncc(C(O)=O)c(=N)[nH]1 Show InChI InChI=1S/C17H18N4O3/c1-10(2)5-6-24-14-4-3-11(7-12(14)8-18)16-20-9-13(17(22)23)15(19)21-16/h3-4,7,9-10H,5-6H2,1-2H3,(H,22,23)(H2,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Mixed type inhibition of bovine xanthine oxidase using xanthine as substrate preincubated with enzyme for 15 mins followed by substrate addition and ...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.061 BindingDB Entry DOI: 10.7270/Q2ST7T69
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM439205 (US10604534, Example 7) Show SMILES C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(OCC2CC2)ccc1F |r| Show InChI InChI=1S/C18H24FN3O4S/c1-11-7-16-18(10-26-11,21-17(20)22(2)27(16,23)24)14-8-13(5-6-15(14)19)25-9-12-3-4-12/h5-6,8,11-12,16H,3-4,7,9-10H2,1-2H3,(H2,20,21)/t11-,16+,18+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BACE-2: Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY...				US Patent US10604534 (2020) BindingDB Entry DOI: 10.7270/Q2057JXQ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM439300 (US10604534, Example 17) Show SMILES COC[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2cccc(c2)C#N)ccc1F |r| Show InChI InChI=1S/C22H23FN4O5S/c1-27-21(25)26-22(13-31-17(12-30-2)10-20(22)33(27,28)29)18-9-16(6-7-19(18)23)32-15-5-3-4-14(8-15)11-24/h3-9,17,20H,10,12-13H2,1-2H3,(H2,25,26)/t17-,20-,22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BACE1: Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); A...				US Patent US10604534 (2020) BindingDB Entry DOI: 10.7270/Q2057JXQ
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM228065 (US10047098, 93) Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(OCCC=C)ncc1F |r| Show InChI InChI=1S/C18H23FN4O3/c1-4-5-6-25-15-8-12(14(19)9-21-15)18-10-26-11(2)7-13(18)16(24)23(3)17(20)22-18/h4,8-9,11,13H,1,5-7,10H2,2-3H3,(H2,20,22)/t11-,13-,18+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.46	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...				US Patent US10047098 (2018) BindingDB Entry DOI: 10.7270/Q2V69MMC
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM439294 (US10604534, Example 11) Show SMILES COC[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2ncncc2F)ccc1F |r| Show InChI InChI=1S/C19H21F2N5O5S/c1-26-18(22)25-19(9-30-12(8-29-2)6-16(19)32(26,27)28)13-5-11(3-4-14(13)20)31-17-15(21)7-23-10-24-17/h3-5,7,10,12,16H,6,8-9H2,1-2H3,(H2,22,25)/t12-,16-,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BACE-2: Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY...				US Patent US10604534 (2020) BindingDB Entry DOI: 10.7270/Q2057JXQ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM439249 (US10604534, Example 9) Show SMILES COC[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2cncc(OC)n2)ccc1F |r| Show InChI InChI=1S/C20H24FN5O6S/c1-26-19(22)25-20(11-31-13(10-29-2)7-16(20)33(26,27)28)14-6-12(4-5-15(14)21)32-18-9-23-8-17(24-18)30-3/h4-6,8-9,13,16H,7,10-11H2,1-3H3,(H2,22,25)/t13-,16-,20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BACE1: Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); A...				US Patent US10604534 (2020) BindingDB Entry DOI: 10.7270/Q2057JXQ
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM448199 (US10689401, EX 5 | US11008338, Example 5) Show SMILES C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(Oc2ncccc2F)ccc1F |r| Show InChI InChI=1S/C21H23F2N3O4S/c1-12-9-17-21(11-29-12,26-19(24)20(2,3)31(17,27)28)14-10-13(6-7-15(14)22)30-18-16(23)5-4-8-25-18/h4-8,10,12,17H,9,11H2,1-3H3,(H2,24,26)/t12-,17+,21+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BACE-2: Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY...				US Patent US10689401 (2020) BindingDB Entry DOI: 10.7270/Q2N87DS6
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM448199 (US10689401, EX 5 | US11008338, Example 5) Show SMILES C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(Oc2ncccc2F)ccc1F |r| Show InChI InChI=1S/C21H23F2N3O4S/c1-12-9-17-21(11-29-12,26-19(24)20(2,3)31(17,27)28)14-10-13(6-7-15(14)22)30-18-16(23)5-4-8-25-18/h4-8,10,12,17H,9,11H2,1-3H3,(H2,24,26)/t12-,17+,21+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BACE2: Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7...				US Patent US11008338 (2021) BindingDB Entry DOI: 10.7270/Q2RF5Z46
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM227987 (US10047098, 19) Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2ncccc2F)ccc1F |r| Show InChI InChI=1S/C20H20F2N4O3/c1-11-8-14-18(27)26(2)19(23)25-20(14,10-28-11)13-9-12(5-6-15(13)21)29-17-16(22)4-3-7-24-17/h3-7,9,11,14H,8,10H2,1-2H3,(H2,23,25)/t11-,14-,20+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...				US Patent US10047098 (2018) BindingDB Entry DOI: 10.7270/Q2V69MMC
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM439294 (US10604534, Example 11) Show SMILES COC[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2ncncc2F)ccc1F |r| Show InChI InChI=1S/C19H21F2N5O5S/c1-26-18(22)25-19(9-30-12(8-29-2)6-16(19)32(26,27)28)13-5-11(3-4-14(13)20)31-17-15(21)7-23-10-24-17/h3-5,7,10,12,16H,6,8-9H2,1-2H3,(H2,22,25)/t12-,16-,19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BACE1: Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); A...				US Patent US10604534 (2020) BindingDB Entry DOI: 10.7270/Q2057JXQ
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM439201 (US10604534, Example 4) Show SMILES C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2ncncc2F)ccc1F |r| Show InChI InChI=1S/C18H19F2N5O4S/c1-10-5-15-18(8-28-10,24-17(21)25(2)30(15,26)27)12-6-11(3-4-13(12)19)29-16-14(20)7-22-9-23-16/h3-4,6-7,9-10,15H,5,8H2,1-2H3,(H2,21,24)/t10-,15+,18+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BACE-2: Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY...				US Patent US10604534 (2020) BindingDB Entry DOI: 10.7270/Q2057JXQ
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM228060 (US10047098, 88) Show SMILES CN1C(=N)N[C@]2(COCC[C@H]2C1=O)c1cc(OCC2CC2)ccc1F |r| Show InChI InChI=1S/C18H22FN3O3/c1-22-16(23)13-6-7-24-10-18(13,21-17(22)20)14-8-12(4-5-15(14)19)25-9-11-2-3-11/h4-5,8,11,13H,2-3,6-7,9-10H2,1H3,(H2,20,21)/t13-,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.96	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...				US Patent US10047098 (2018) BindingDB Entry DOI: 10.7270/Q2V69MMC
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM227989 (US10047098, 21) Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cc(ccn2)C#N)ccc1F |r| Show InChI InChI=1S/C21H20FN5O3/c1-12-7-16-19(28)27(2)20(24)26-21(16,11-29-12)15-9-14(3-4-17(15)22)30-18-8-13(10-23)5-6-25-18/h3-6,8-9,12,16H,7,11H2,1-2H3,(H2,24,26)/t12-,16-,21+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...				US Patent US10047098 (2018) BindingDB Entry DOI: 10.7270/Q2V69MMC
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM227989 (US10047098, 21) Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cc(ccn2)C#N)ccc1F |r| Show InChI InChI=1S/C21H20FN5O3/c1-12-7-16-19(28)27(2)20(24)26-21(16,11-29-12)15-9-14(3-4-17(15)22)30-18-8-13(10-23)5-6-25-18/h3-6,8-9,12,16H,7,11H2,1-2H3,(H2,24,26)/t12-,16-,21+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...				US Patent US10047098 (2018) BindingDB Entry DOI: 10.7270/Q2V69MMC
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM337533 (US9745324, 2) Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ccn(n2)C(F)F)ccc1F |r| Show InChI InChI=1S/C19H23F3N6O3S/c1-18(2)16(23)25-19(3,10-27(4)32(18,30)31)12-9-11(5-6-13(12)20)24-15(29)14-7-8-28(26-14)17(21)22/h5-9,17H,10H2,1-4H3,(H2,23,25)(H,24,29)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...				US Patent US9745324 (2017) BindingDB Entry DOI: 10.7270/Q2MS3VW8
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM337554 (US9745324, 23) Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ncc(Cl)cc2F)ccc1F |r| Show InChI InChI=1S/C20H22ClF2N5O3S/c1-19(2)18(24)27-20(3,10-28(4)32(19,30)31)13-8-12(5-6-14(13)22)26-17(29)16-15(23)7-11(21)9-25-16/h5-9H,10H2,1-4H3,(H2,24,27)(H,26,29)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...				US Patent US9745324 (2017) BindingDB Entry DOI: 10.7270/Q2MS3VW8
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM228037 (US10047098, 65) Show SMILES COc1cncc(Oc2ccc(F)c(c2)[C@]23CO[C@@H](C)C[C@H]2C(=O)N(C)C(=N)N3)n1 |r| Show InChI InChI=1S/C20H22FN5O4/c1-11-6-14-18(27)26(2)19(22)25-20(14,10-29-11)13-7-12(4-5-15(13)21)30-17-9-23-8-16(24-17)28-3/h4-5,7-9,11,14H,6,10H2,1-3H3,(H2,22,25)/t11-,14-,20+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.60	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...				US Patent US10047098 (2018) BindingDB Entry DOI: 10.7270/Q2V69MMC
					More data for this Ligand-Target Pair

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