Compile Data Set for Download or QSAR

Found 31 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 2 (BACE2)'   

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 (Mus musculus (Mouse))	BDBM165913 (US9067924, 7) Show SMILES CC1C(N)=N[C@@](C)(CCS1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,c:3| Show InChI InChI=1S/C19H20F2N4O3S/c1-11-17(22)25-19(2,7-8-29(11,27)28)14-9-13(4-5-15(14)21)24-18(26)16-6-3-12(20)10-23-16/h3-6,9-11H,7-8H2,1-2H3,(H2,22,25)(H,24,26)/t11?,19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE INC. US Patent					Assay Description An ELISA assay (using a pair of mouse anti-human-TMEM27 antibodies, raised against the extracellular domain of TMEM27) is used for detection of TMEM2...				US Patent US9067924 (2015) BindingDB Entry DOI: 10.7270/Q2R21049
					More data for this Ligand-Target Pair
Beta-secretase 2 (Mus musculus (Mouse))	BDBM165910 (US9067924, 4) Show SMILES C[C@]1(CCS(=O)(=O)CC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,c:9| Show InChI InChI=1S/C18H18F2N4O3S/c1-18(6-7-28(26,27)10-16(21)24-18)13-8-12(3-4-14(13)20)23-17(25)15-5-2-11(19)9-22-15/h2-5,8-9H,6-7,10H2,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE INC. US Patent					Assay Description An ELISA assay (using a pair of mouse anti-human-TMEM27 antibodies, raised against the extracellular domain of TMEM27) is used for detection of TMEM2...				US Patent US9067924 (2015) BindingDB Entry DOI: 10.7270/Q2R21049
					More data for this Ligand-Target Pair
Beta-secretase 2 (Mus musculus (Mouse))	BDBM165909 (US9067924, 3) Show SMILES C[C@]1(CCS(=O)(=O)CC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:9| Show InChI InChI=1S/C18H18ClFN4O3S/c1-18(6-7-28(26,27)10-16(21)24-18)13-8-12(3-4-14(13)20)23-17(25)15-5-2-11(19)9-22-15/h2-5,8-9H,6-7,10H2,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE INC. US Patent					Assay Description An ELISA assay (using a pair of mouse anti-human-TMEM27 antibodies, raised against the extracellular domain of TMEM27) is used for detection of TMEM2...				US Patent US9067924 (2015) BindingDB Entry DOI: 10.7270/Q2R21049
					More data for this Ligand-Target Pair
Beta-secretase 2 (Mus musculus (Mouse))	BDBM50570460 (CHEMBL4854629) Show SMILES CC#C[C@@]1(N=C(N)OCC11CC(F)(F)C1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,t:4| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BACE2 in mouse MIN6 cells expressing wild type TMEM27 assessed as reduction in TMEM27 secretion by MSD electrochemiluminescence assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01858 BindingDB Entry DOI: 10.7270/Q2GH9NQT
					More data for this Ligand-Target Pair
Beta-secretase 2 (Mus musculus (Mouse))	BDBM165912 (US9067924, 6) Show SMILES CC1SCC[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:7| Show InChI InChI=1S/C19H20ClFN4OS/c1-11-17(22)25-19(2,7-8-27-11)14-9-13(4-5-15(14)21)24-18(26)16-6-3-12(20)10-23-16/h3-6,9-11H,7-8H2,1-2H3,(H2,22,25)(H,24,26)/t11?,19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE INC. US Patent					Assay Description An ELISA assay (using a pair of mouse anti-human-TMEM27 antibodies, raised against the extracellular domain of TMEM27) is used for detection of TMEM2...				US Patent US9067924 (2015) BindingDB Entry DOI: 10.7270/Q2R21049
					More data for this Ligand-Target Pair
Beta-secretase 2 (Mus musculus (Mouse))	BDBM165914 (US9067924, 8) Show SMILES CC1C(N)=N[C@@](C)(CCS1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:3| Show InChI InChI=1S/C19H20ClFN4O3S/c1-11-17(22)25-19(2,7-8-29(11,27)28)14-9-13(4-5-15(14)21)24-18(26)16-6-3-12(20)10-23-16/h3-6,9-11H,7-8H2,1-2H3,(H2,22,25)(H,24,26)/t11?,19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE INC. US Patent					Assay Description An ELISA assay (using a pair of mouse anti-human-TMEM27 antibodies, raised against the extracellular domain of TMEM27) is used for detection of TMEM2...				US Patent US9067924 (2015) BindingDB Entry DOI: 10.7270/Q2R21049
					More data for this Ligand-Target Pair
Beta-secretase 2 (Mus musculus (Mouse))	BDBM486437 ((2R,5R)-5-(5-((Z)-2-(5-chloropyridin-2-yl)-2-fluor...) Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F |r,c:7| Show InChI InChI=1S/C20H17ClF5N3O/c1-18(10-30-19(2,17(27)29-18)20(24,25)26)13-7-11(3-5-14(13)22)8-15(23)16-6-4-12(21)9-28-16/h3-9H,10H2,1-2H3,(H2,27,29)/b15-8-/t18-,19+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. US Patent					Assay Description The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...				US Patent US10947223 (2021) BindingDB Entry DOI: 10.7270/Q2VX0KMS
					More data for this Ligand-Target Pair
Beta-secretase 2 (Mus musculus (Mouse))	BDBM165911 (US9067924, 5) Show SMILES CC1SCC[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,c:7| Show InChI InChI=1S/C19H20F2N4OS/c1-11-17(22)25-19(2,7-8-27-11)14-9-13(4-5-15(14)21)24-18(26)16-6-3-12(20)10-23-16/h3-6,9-11H,7-8H2,1-2H3,(H2,22,25)(H,24,26)/t11?,19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE INC. US Patent					Assay Description An ELISA assay (using a pair of mouse anti-human-TMEM27 antibodies, raised against the extracellular domain of TMEM27) is used for detection of TMEM2...				US Patent US9067924 (2015) BindingDB Entry DOI: 10.7270/Q2R21049
					More data for this Ligand-Target Pair
Beta-secretase 2 (Mus musculus (Mouse))	BDBM486443 ((2R,5R)-5-(5-((Z)-2-(5-chloropyrazin-2-yl)-2-fluor...) Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(\C=C(/F)c2cnc(Cl)cn2)ccc1F |r,c:7| Show InChI InChI=1S/C19H16ClF5N4O/c1-17(9-30-18(2,16(26)29-17)19(23,24)25)11-5-10(3-4-12(11)21)6-13(22)14-7-28-15(20)8-27-14/h3-8H,9H2,1-2H3,(H2,26,29)/b13-6-/t17-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. US Patent					Assay Description The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...				US Patent US10947223 (2021) BindingDB Entry DOI: 10.7270/Q2VX0KMS
					More data for this Ligand-Target Pair
Beta-secretase 2 (Mus musculus (Mouse))	BDBM165908 (US9067924, 2) Show SMILES C[C@]1(CCSCC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,c:7| Show InChI InChI=1S/C18H18F2N4OS/c1-18(6-7-26-10-16(21)24-18)13-8-12(3-4-14(13)20)23-17(25)15-5-2-11(19)9-22-15/h2-5,8-9H,6-7,10H2,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE INC. US Patent					Assay Description An ELISA assay (using a pair of mouse anti-human-TMEM27 antibodies, raised against the extracellular domain of TMEM27) is used for detection of TMEM2...				US Patent US9067924 (2015) BindingDB Entry DOI: 10.7270/Q2R21049
					More data for this Ligand-Target Pair
Beta-secretase 2 (Mus musculus (Mouse))	BDBM486438 (6-((Z)-2-(3-((3R,6R)-5-amino-3,6-dimethyl-6-(trifl...) Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |r,c:7| Show InChI InChI=1S/C21H17F5N4O/c1-19(11-31-20(2,18(28)30-19)21(24,25)26)14-7-12(3-5-15(14)22)8-16(23)17-6-4-13(9-27)10-29-17/h3-8,10H,11H2,1-2H3,(H2,28,30)/b16-8-/t19-,20+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. US Patent					Assay Description The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...				US Patent US10947223 (2021) BindingDB Entry DOI: 10.7270/Q2VX0KMS
					More data for this Ligand-Target Pair
Beta-secretase 2 (Mus musculus (Mouse))	BDBM165907 (US9067924, 1) Show SMILES C[C@]1(CCSCC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:7| Show InChI InChI=1S/C18H18ClFN4OS/c1-18(6-7-26-10-16(21)24-18)13-8-12(3-4-14(13)20)23-17(25)15-5-2-11(19)9-22-15/h2-5,8-9H,6-7,10H2,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	167	n/a	n/a	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE INC. US Patent					Assay Description An ELISA assay (using a pair of mouse anti-human-TMEM27 antibodies, raised against the extracellular domain of TMEM27) is used for detection of TMEM2...				US Patent US9067924 (2015) BindingDB Entry DOI: 10.7270/Q2R21049
					More data for this Ligand-Target Pair
Beta-secretase 2 (Mus musculus (Mouse))	BDBM165916 (US9067924, 10) Show SMILES CC1(C)C(N)=N[C@@](C)(CCS1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,c:4| Show InChI InChI=1S/C20H22F2N4O3S/c1-19(2)18(23)26-20(3,8-9-30(19,28)29)14-10-13(5-6-15(14)22)25-17(27)16-7-4-12(21)11-24-16/h4-7,10-11H,8-9H2,1-3H3,(H2,23,26)(H,25,27)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	181	n/a	n/a	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE INC. US Patent					Assay Description An ELISA assay (using a pair of mouse anti-human-TMEM27 antibodies, raised against the extracellular domain of TMEM27) is used for detection of TMEM2...				US Patent US9067924 (2015) BindingDB Entry DOI: 10.7270/Q2R21049
					More data for this Ligand-Target Pair
Beta-secretase 2 (Mus musculus (Mouse))	BDBM486439 (5-((Z)-2-(3-((3R,6R)-5-amino-3,6-dimethyl-6-(trifl...) Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(\C=C(/F)c2cnc(cn2)C#N)ccc1F |r,c:7| Show InChI InChI=1S/C20H16F5N5O/c1-18(10-31-19(2,17(27)30-18)20(23,24)25)13-5-11(3-4-14(13)21)6-15(22)16-9-28-12(7-26)8-29-16/h3-6,8-9H,10H2,1-2H3,(H2,27,30)/b15-6-/t18-,19+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	273	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. US Patent					Assay Description The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...				US Patent US10947223 (2021) BindingDB Entry DOI: 10.7270/Q2VX0KMS
					More data for this Ligand-Target Pair
Beta-secretase 2 (Mus musculus (Mouse))	BDBM50579806 (CHEMBL5092328) Show SMILES CCS(=O)(=O)[C@]1(C)CC[C@](CF)(N=C1N)c1cc(NC(=O)c2cc3OC(F)(F)Oc3cn2)ccc1F |r,c:12| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	309	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BACE2 in mouse MIN6 cells expressing TMEM27 assessed as reduction in TMEM27 secretion incubated for 24 hrs by MSD electrochemiluminesce...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00935 BindingDB Entry DOI: 10.7270/Q2V69PFZ
					More data for this Ligand-Target Pair
Beta-secretase 2 (Mus musculus (Mouse))	BDBM486442 ((2R,5R)-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(prop-2-y...) Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F |r,c:7| Show InChI InChI=1S/C22H19F5N4O2/c1-4-7-32-18-11-29-17(10-30-18)16(24)9-13-5-6-15(23)14(8-13)20(2)12-33-21(3,19(28)31-20)22(25,26)27/h1,5-6,8-11H,7,12H2,2-3H3,(H2,28,31)/b16-9-/t20-,21+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	375	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. US Patent					Assay Description The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...				US Patent US10947223 (2021) BindingDB Entry DOI: 10.7270/Q2VX0KMS
					More data for this Ligand-Target Pair
Beta-secretase 2 (Mus musculus (Mouse))	BDBM486435 ((1R,5S,6R)-5-(5-((Z)-2-(5-chloropyridin-2-yl)-2-fl...) Show SMILES NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F |r,t:1| Show InChI InChI=1S/C19H14ClF4N3O/c20-10-2-4-15(26-8-10)14(22)6-9-1-3-13(21)11(5-9)19(17(23)24)12-7-16(12)28-18(25)27-19/h1-6,8,12,16-17H,7H2,(H2,25,27)/b14-6-/t12-,16+,19+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	421	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. US Patent					Assay Description The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...				US Patent US10947223 (2021) BindingDB Entry DOI: 10.7270/Q2VX0KMS
					More data for this Ligand-Target Pair
Beta-secretase 2 (Mus musculus (Mouse))	BDBM486434 ((1R,5S,6R)-5-(5-((Z)-2-(5-bromopyridin-2-yl)-2-flu...) Show SMILES FC(F)[C@@]1(N=C(NC(=O)c2ccccc2)O[C@@H]2C[C@H]12)c1cc(\C=C(/F)c2ccc(Br)cn2)ccc1F |r,t:4| Show InChI InChI=1S/C26H18BrF4N3O2/c27-16-7-9-21(32-13-16)20(29)11-14-6-8-19(28)17(10-14)26(24(30)31)18-12-22(18)36-25(34-26)33-23(35)15-4-2-1-3-5-15/h1-11,13,18,22,24H,12H2,(H,33,34,35)/b20-11-/t18-,22+,26+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	564	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. US Patent					Assay Description The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...				US Patent US10947223 (2021) BindingDB Entry DOI: 10.7270/Q2VX0KMS
					More data for this Ligand-Target Pair
Beta-secretase 2 (Mus musculus (Mouse))	BDBM486453 (6-((Z)-2-(6-((3R,6R)-5-amino-3,6-dimethyl-6-(trifl...) Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |r,c:7| Show InChI InChI=1S/C20H16F5N5O/c1-18(10-31-19(2,17(27)30-18)20(23,24)25)16-13(21)5-4-12(29-16)7-14(22)15-6-3-11(8-26)9-28-15/h3-7,9H,10H2,1-2H3,(H2,27,30)/b14-7-/t18-,19+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	853	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. US Patent					Assay Description The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...				US Patent US10947223 (2021) BindingDB Entry DOI: 10.7270/Q2VX0KMS
					More data for this Ligand-Target Pair
Beta-secretase 2 (Mus musculus (Mouse))	BDBM165915 (US9067924, 9) Show SMILES CC1C(N)=N[C@@](C)(CCS1(=O)=O)c1cc(NC(=O)c2[nH]ncc2Cl)ccc1F |r,c:3| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	858	n/a	n/a	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE INC. US Patent					Assay Description An ELISA assay (using a pair of mouse anti-human-TMEM27 antibodies, raised against the extracellular domain of TMEM27) is used for detection of TMEM2...				US Patent US9067924 (2015) BindingDB Entry DOI: 10.7270/Q2R21049
					More data for this Ligand-Target Pair
Beta-secretase 2 (Mus musculus (Mouse))	BDBM486445 ((4R,5R)-4-(5-((Z)-2-(5-chloropyrazin-2-yl)-2-fluor...) Show SMILES C[C@@]1(N=C(N)OC[C@@H]1OCC(F)(F)F)c1cc(\C=C(/F)c2cnc(Cl)cn2)ccc1F |r,t:2| Show InChI InChI=1S/C19H16ClF5N4O2/c1-18(15(8-30-17(26)29-18)31-9-19(23,24)25)11-4-10(2-3-12(11)21)5-13(22)14-6-28-16(20)7-27-14/h2-7,15H,8-9H2,1H3,(H2,26,29)/b13-5-/t15-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. US Patent					Assay Description The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...				US Patent US10947223 (2021) BindingDB Entry DOI: 10.7270/Q2VX0KMS
					More data for this Ligand-Target Pair
Beta-secretase 2 (Mus musculus (Mouse))	BDBM486441 ((2R,5R)-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(2,2,3,3-...) Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(\C=C(/F)c2cnc(OCC(F)(F)C(F)F)cn2)ccc1F |r,c:7| Show InChI InChI=1S/C22H19F9N4O2/c1-19(9-37-20(2,18(32)35-19)22(29,30)31)12-5-11(3-4-13(12)23)6-14(24)15-7-34-16(8-33-15)36-10-21(27,28)17(25)26/h3-8,17H,9-10H2,1-2H3,(H2,32,35)/b14-6-/t19-,20+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. US Patent					Assay Description The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...				US Patent US10947223 (2021) BindingDB Entry DOI: 10.7270/Q2VX0KMS
					More data for this Ligand-Target Pair
Beta-secretase 2 (Mus musculus (Mouse))	BDBM486436 (6-((Z)-2-(3-((1R,5S,6R)-3-amino-5-(difluoromethyl)...) Show SMILES NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |r,t:1| Show InChI InChI=1S/C20H14F4N4O/c21-14-3-1-10(6-15(22)16-4-2-11(8-25)9-27-16)5-12(14)20(18(23)24)13-7-17(13)29-19(26)28-20/h1-6,9,13,17-18H,7H2,(H2,26,28)/b15-6-/t13-,17+,20+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. US Patent					Assay Description The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...				US Patent US10947223 (2021) BindingDB Entry DOI: 10.7270/Q2VX0KMS
					More data for this Ligand-Target Pair
Beta-secretase 2 (Mus musculus (Mouse))	BDBM486450 ((R,Z)-6-(2-(3-(2-amino-5,5-difluoro-4-methyl-5,6-d...) Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |r,t:2| Show InChI InChI=1S/C19H14F4N4O/c1-18(19(22,23)10-28-17(25)27-18)13-6-11(2-4-14(13)20)7-15(21)16-5-3-12(8-24)9-26-16/h2-7,9H,10H2,1H3,(H2,25,27)/b15-7-/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.73E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. US Patent					Assay Description The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...				US Patent US10947223 (2021) BindingDB Entry DOI: 10.7270/Q2VX0KMS
					More data for this Ligand-Target Pair
Beta-secretase 2 (Mus musculus (Mouse))	BDBM486444 (6-((Z)-2-(3-((4R,5R)-2-amino-4-methyl-5-(2,2,2-tri...) Show SMILES C[C@@]1(N=C(N)OC[C@@H]1OCC(F)(F)F)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |r,t:2| Show InChI InChI=1S/C21H17F5N4O2/c1-20(18(10-31-19(28)30-20)32-11-21(24,25)26)14-6-12(2-4-15(14)22)7-16(23)17-5-3-13(8-27)9-29-17/h2-7,9,18H,10-11H2,1H3,(H2,28,30)/b16-7-/t18-,20+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.87E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. US Patent					Assay Description The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...				US Patent US10947223 (2021) BindingDB Entry DOI: 10.7270/Q2VX0KMS
					More data for this Ligand-Target Pair
Beta-secretase 2 (Mus musculus (Mouse))	BDBM486451 ((R,Z)-5,5-difluoro-4-(2-fluoro-5-(2-fluoro-2-(5-(p...) Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F |r,t:2| Show InChI InChI=1S/C20H16F4N4O2/c1-3-6-29-17-10-26-16(9-27-17)15(22)8-12-4-5-14(21)13(7-12)19(2)20(23,24)11-30-18(25)28-19/h1,4-5,7-10H,6,11H2,2H3,(H2,25,28)/b15-8-/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.84E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. US Patent					Assay Description The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...				US Patent US10947223 (2021) BindingDB Entry DOI: 10.7270/Q2VX0KMS
					More data for this Ligand-Target Pair
Beta-secretase 2 (Mus musculus (Mouse))	BDBM486448 (5-((Z)-2-(3-((4R,5R)-2-amino-4-methyl-5-(2,2,2-tri...) Show SMILES C[C@@]1(N=C(N)OC[C@@H]1OCC(F)(F)F)c1cc(\C=C(/F)c2cnc(cn2)C#N)ccc1F |r,t:2| Show InChI InChI=1S/C20H16F5N5O2/c1-19(17(9-31-18(27)30-19)32-10-20(23,24)25)13-4-11(2-3-14(13)21)5-15(22)16-8-28-12(6-26)7-29-16/h2-5,7-8,17H,9-10H2,1H3,(H2,27,30)/b15-5-/t17-,19+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. US Patent					Assay Description The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...				US Patent US10947223 (2021) BindingDB Entry DOI: 10.7270/Q2VX0KMS
					More data for this Ligand-Target Pair
Beta-secretase 2 (Mus musculus (Mouse))	BDBM486452 ((R,Z)-6-(2-(6-(2-amino-5,5-difluoro-4-methyl-5,6-d...) Show SMILES C[C@@]1(N=C(N)COC1(F)F)c1nc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |r,t:2| Show InChI InChI=1S/C18H13F4N5O/c1-17(18(21,22)28-9-15(24)27-17)16-12(19)4-3-11(26-16)6-13(20)14-5-2-10(7-23)8-25-14/h2-6,8H,9H2,1H3,(H2,24,27)/b13-6-/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. US Patent					Assay Description The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...				US Patent US10947223 (2021) BindingDB Entry DOI: 10.7270/Q2VX0KMS
					More data for this Ligand-Target Pair
Beta-secretase 2 (Mus musculus (Mouse))	BDBM486446 ((4R,5R)-4-(2-fluoro-5-((Z)-2-fluoro-2-(5-(prop-2-y...) Show SMILES C[C@@]1(N=C(N)OC[C@@H]1OCC(F)(F)F)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F |r,t:2| Show InChI InChI=1S/C22H19F5N4O3/c1-3-6-32-19-10-29-17(9-30-19)16(24)8-13-4-5-15(23)14(7-13)21(2)18(11-33-20(28)31-21)34-12-22(25,26)27/h1,4-5,7-10,18H,6,11-12H2,2H3,(H2,28,31)/b16-8-/t18-,21+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. US Patent					Assay Description The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...				US Patent US10947223 (2021) BindingDB Entry DOI: 10.7270/Q2VX0KMS
					More data for this Ligand-Target Pair
Beta-secretase 2 (Mus musculus (Mouse))	BDBM486449 ((4R,5R)-4-(5-((Z)-2-(5-(but-2-yn-1-yloxy)pyrazin-2...) Show SMILES CC#CCOc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)OC[C@@H]1OCC(F)(F)F |r,t:25| Show InChI InChI=1S/C23H21F5N4O3/c1-3-4-7-33-20-11-30-18(10-31-20)17(25)9-14-5-6-16(24)15(8-14)22(2)19(12-34-21(29)32-22)35-13-23(26,27)28/h5-6,8-11,19H,7,12-13H2,1-2H3,(H2,29,32)/b17-9-/t19-,22+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.71E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. US Patent					Assay Description The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...				US Patent US10947223 (2021) BindingDB Entry DOI: 10.7270/Q2VX0KMS
					More data for this Ligand-Target Pair
Beta-secretase 2 (Mus musculus (Mouse))	BDBM50510991 (CHEMBL4564735) Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)C1=CCCOC1)-c1cccnc1F |r,t:1,24| Show InChI InChI=1S/C24H18F2N4O3/c25-21-15(4-1-7-28-21)13-5-6-19-16(9-13)24(12-32-23(27)30-24)17-10-18(14-3-2-8-31-11-14)29-22(26)20(17)33-19/h1,3-7,9-10H,2,8,11-12H2,(H2,27,30)/t24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	40	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of BACE2 in mouse B16-F1 cells assessed as increase in intracellular PMEL17 Mbeta accumulation measured after 4 days by Western blot analy...				J Med Chem 63: 2263-2281 (2020) Article DOI: 10.1021/acs.jmedchem.9b01034 BindingDB Entry DOI: 10.7270/Q2ZK5M0H
					More data for this Ligand-Target Pair