Compile Data Set for Download or QSAR

Found 5303 hits with Last Name = 'marigo' and Initial = 'm'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Beta-secretase 1 (Homo sapiens (Human))	BDBM270566 (N-(3-((2R,3S,5S)-6-amino-3,5-difluoro-2,5-dimethyl...) Show SMILES COc1ccc(nc1)C(=O)Nc1cc(F)c(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)C[C@@H]1F |r,t:23| Show InChI InChI=1S/C20H20F4N4O2/c1-19(24)8-15(22)20(2,28-18(19)25)12-6-10(7-13(21)16(12)23)27-17(29)14-5-4-11(30-3)9-26-14/h4-7,9,15H,8H2,1-3H3,(H2,25,28)(H,27,29)/t15-,19-,20+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.60	-48.2	n/a	n/a	n/a	n/a	n/a	4.5	25
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US10059669 (2018) BindingDB Entry DOI: 10.7270/Q2K35WPJ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM270565 (N-(3-((2R,3S,5S)-6-amino-3,5-difluoro-2,5-dimethyl...) Show SMILES Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)C[C@@H]1F)C#N |r,t:21| Show InChI InChI=1S/C21H20F3N5O/c1-11-6-12(9-25)10-27-17(11)18(30)28-13-4-5-15(22)14(7-13)21(3)16(23)8-20(2,24)19(26)29-21/h4-7,10,16H,8H2,1-3H3,(H2,26,29)(H,28,30)/t16-,20-,21+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.10	-47.9	n/a	n/a	n/a	n/a	n/a	4.5	25
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US10059669 (2018) BindingDB Entry DOI: 10.7270/Q2K35WPJ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM234465 (US10004738, 18 | US9353084, 18) Show SMILES Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)CC1(F)F)C#N |r,t:21| Show InChI InChI=1S/C21H19F4N5O/c1-11-6-12(8-26)9-28-16(11)17(31)29-13-4-5-15(22)14(7-13)20(3)21(24,25)10-19(2,23)18(27)30-20/h4-7,9H,10H2,1-3H3,(H2,27,30)(H,29,31)/t19-,20+/m0/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	4.5	n/a
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US9353084 (2016) BindingDB Entry DOI: 10.7270/Q2MG7NDX
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM270568 (N-(3-((2R,3S,5S)-6-amino-3,5-difluoro-2,5-dimethyl...) Show SMILES C[C@]1(F)C[C@H](F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F |r,c:8| Show InChI InChI=1S/C19H18BrF3N4O/c1-18(23)8-15(22)19(2,27-17(18)24)12-7-11(4-5-13(12)21)26-16(28)14-6-3-10(20)9-25-14/h3-7,9,15H,8H2,1-2H3,(H2,24,27)(H,26,28)/t15-,18-,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.30	-47.8	n/a	n/a	n/a	n/a	n/a	4.5	25
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US10059669 (2018) BindingDB Entry DOI: 10.7270/Q2K35WPJ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM234465 (US10004738, 18 | US9353084, 18) Show SMILES Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)CC1(F)F)C#N |r,t:21| Show InChI InChI=1S/C21H19F4N5O/c1-11-6-12(8-26)9-28-16(11)17(31)29-13-4-5-15(22)14(7-13)20(3)21(24,25)10-19(2,23)18(27)30-20/h4-7,9H,10H2,1-3H3,(H2,27,30)(H,29,31)/t19-,20+/m0/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
Abbott Laboratories					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				J Med Chem 52: 6621-36 (2009) BindingDB Entry DOI: 10.7270/Q2B85BGS
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM269485 ( (S)-N-(3-(6-amino-3,3-difluoro-2-(fluoromethyl)-2...) Show SMILES NC1=N[C@](CF)(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)C(F)(F)CC1 |r,t:1| Show InChI InChI=1S/C18H15ClF4N4O/c19-10-1-4-14(25-8-10)16(28)26-11-2-3-13(21)12(7-11)17(9-20)18(22,23)6-5-15(24)27-17/h1-4,7-8H,5-6,9H2,(H2,24,27)(H,26,28)/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.70	-47.1	n/a	n/a	n/a	n/a	n/a	4.5	25
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US10058540 (2018) BindingDB Entry DOI: 10.7270/Q2GB262J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM230876 (US10045974, 12 | US10603310, Compound 12 | US93467...) Show SMILES NC1=N[C@](C(F)F)(c2cc(NC(=O)c3ccc(Br)cn3)ccc2F)C(F)(F)CC1 |r,t:1| Show InChI InChI=1S/C18H14BrF5N4O/c19-9-1-4-13(26-8-9)15(29)27-10-2-3-12(20)11(7-10)18(16(21)22)17(23,24)6-5-14(25)28-18/h1-4,7-8,16H,5-6H2,(H2,25,28)(H,27,29)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US10603310 (2020) BindingDB Entry DOI: 10.7270/Q24X5BTZ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM230876 (US10045974, 12 | US10603310, Compound 12 | US93467...) Show SMILES NC1=N[C@](C(F)F)(c2cc(NC(=O)c3ccc(Br)cn3)ccc2F)C(F)(F)CC1 |r,t:1| Show InChI InChI=1S/C18H14BrF5N4O/c19-9-1-4-13(26-8-9)15(29)27-10-2-3-12(20)11(7-10)18(16(21)22)17(23,24)6-5-14(25)28-18/h1-4,7-8,16H,5-6H2,(H2,25,28)(H,27,29)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.10	-46.9	n/a	n/a	n/a	n/a	n/a	4.5	25
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US9346797 (2016) BindingDB Entry DOI: 10.7270/Q25T3JC4
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM230876 (US10045974, 12 | US10603310, Compound 12 | US93467...) Show SMILES NC1=N[C@](C(F)F)(c2cc(NC(=O)c3ccc(Br)cn3)ccc2F)C(F)(F)CC1 |r,t:1| Show InChI InChI=1S/C18H14BrF5N4O/c19-9-1-4-13(26-8-9)15(29)27-10-2-3-12(20)11(7-10)18(16(21)22)17(23,24)6-5-14(25)28-18/h1-4,7-8,16H,5-6H2,(H2,25,28)(H,27,29)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.10	-46.9	n/a	n/a	n/a	n/a	n/a	4.5	25
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US10045974 (2018) BindingDB Entry DOI: 10.7270/Q2T72KF3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM230869 (US10045974, 13 | US10603310, Compound 13 | US93467...) Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F |r,t:21| Show InChI InChI=1S/C19H17F5N4O2/c1-30-11-3-5-14(26-9-11)16(29)27-10-2-4-13(20)12(8-10)19(17(21)22)18(23,24)7-6-15(25)28-19/h2-5,8-9,17H,6-7H2,1H3,(H2,25,28)(H,27,29)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US10603310 (2020) BindingDB Entry DOI: 10.7270/Q24X5BTZ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM230869 (US10045974, 13 | US10603310, Compound 13 | US93467...) Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F |r,t:21| Show InChI InChI=1S/C19H17F5N4O2/c1-30-11-3-5-14(26-9-11)16(29)27-10-2-4-13(20)12(8-10)19(17(21)22)18(23,24)7-6-15(25)28-19/h2-5,8-9,17H,6-7H2,1H3,(H2,25,28)(H,27,29)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.70	-46.7	n/a	n/a	n/a	n/a	n/a	4.5	25
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US9346797 (2016) BindingDB Entry DOI: 10.7270/Q25T3JC4
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM230869 (US10045974, 13 | US10603310, Compound 13 | US93467...) Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F |r,t:21| Show InChI InChI=1S/C19H17F5N4O2/c1-30-11-3-5-14(26-9-11)16(29)27-10-2-4-13(20)12(8-10)19(17(21)22)18(23,24)7-6-15(25)28-19/h2-5,8-9,17H,6-7H2,1H3,(H2,25,28)(H,27,29)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.70	-46.7	n/a	n/a	n/a	n/a	n/a	4.5	25
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US10045974 (2018) BindingDB Entry DOI: 10.7270/Q2T72KF3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM270562 (N-(3-((2R,3S,5R)-6-amino-3,5-difluoro-2,5-dimethyl...) Show SMILES COc1ccc(nc1)C(=O)Nc1cc(F)c(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)C[C@@H]1F |r,t:23| Show InChI InChI=1S/C20H20F4N4O2/c1-19(24)8-15(22)20(2,28-18(19)25)12-6-10(7-13(21)16(12)23)27-17(29)14-5-4-11(30-3)9-26-14/h4-7,9,15H,8H2,1-3H3,(H2,25,28)(H,27,29)/t15-,19+,20+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.80	-46.6	n/a	n/a	n/a	n/a	n/a	4.5	25
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US10059669 (2018) BindingDB Entry DOI: 10.7270/Q2K35WPJ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM230873 (US9346797, 9) Show SMILES COc1cnc(nc1)C(=O)Oc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F |r,t:21| Show InChI InChI=1S/C18H15F5N4O3/c1-29-10-7-25-14(26-8-10)15(28)30-9-2-3-12(19)11(6-9)18(16(20)21)17(22,23)5-4-13(24)27-18/h2-3,6-8,16H,4-5H2,1H3,(H2,24,27)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.90	-46.6	n/a	n/a	n/a	n/a	n/a	4.5	25
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US9346797 (2016) BindingDB Entry DOI: 10.7270/Q25T3JC4
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM228168 ((S)-N-(3-(6-amino-2-(difluoromethyl)-3,3-difluoro-...) Show SMILES COc1cnc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F |r,t:21| Show InChI InChI=1S/C18H16F5N5O2/c1-30-10-7-25-14(26-8-10)15(29)27-9-2-3-12(19)11(6-9)18(16(20)21)17(22,23)5-4-13(24)28-18/h2-3,6-8,16H,4-5H2,1H3,(H2,24,28)(H,27,29)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US10603310 (2020) BindingDB Entry DOI: 10.7270/Q24X5BTZ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM228168 ((S)-N-(3-(6-amino-2-(difluoromethyl)-3,3-difluoro-...) Show SMILES COc1cnc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F |r,t:21| Show InChI InChI=1S/C18H16F5N5O2/c1-30-10-7-25-14(26-8-10)15(29)27-9-2-3-12(19)11(6-9)18(16(20)21)17(22,23)5-4-13(24)28-18/h2-3,6-8,16H,4-5H2,1H3,(H2,24,28)(H,27,29)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.90	-46.6	n/a	n/a	n/a	n/a	n/a	4.5	25
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US10045974 (2018) BindingDB Entry DOI: 10.7270/Q2T72KF3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM230871 (US10045974, 7 | US10603310, Compound 7 | US9346797...) Show SMILES NC1=N[C@](C(F)F)(c2cc(NC(=O)c3ccc(cn3)C#N)ccc2F)C(F)(F)CC1 |r,t:1| Show InChI InChI=1S/C19H14F5N5O/c20-13-3-2-11(28-16(30)14-4-1-10(8-25)9-27-14)7-12(13)19(17(21)22)18(23,24)6-5-15(26)29-19/h1-4,7,9,17H,5-6H2,(H2,26,29)(H,28,30)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US10603310 (2020) BindingDB Entry DOI: 10.7270/Q24X5BTZ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM230871 (US10045974, 7 | US10603310, Compound 7 | US9346797...) Show SMILES NC1=N[C@](C(F)F)(c2cc(NC(=O)c3ccc(cn3)C#N)ccc2F)C(F)(F)CC1 |r,t:1| Show InChI InChI=1S/C19H14F5N5O/c20-13-3-2-11(28-16(30)14-4-1-10(8-25)9-27-14)7-12(13)19(17(21)22)18(23,24)6-5-15(26)29-19/h1-4,7,9,17H,5-6H2,(H2,26,29)(H,28,30)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.40	-46.4	n/a	n/a	n/a	n/a	n/a	4.5	25
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US10045974 (2018) BindingDB Entry DOI: 10.7270/Q2T72KF3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM230871 (US10045974, 7 | US10603310, Compound 7 | US9346797...) Show SMILES NC1=N[C@](C(F)F)(c2cc(NC(=O)c3ccc(cn3)C#N)ccc2F)C(F)(F)CC1 |r,t:1| Show InChI InChI=1S/C19H14F5N5O/c20-13-3-2-11(28-16(30)14-4-1-10(8-25)9-27-14)7-12(13)19(17(21)22)18(23,24)6-5-15(26)29-19/h1-4,7,9,17H,5-6H2,(H2,26,29)(H,28,30)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.40	-46.4	n/a	n/a	n/a	n/a	n/a	4.5	25
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US9346797 (2016) BindingDB Entry DOI: 10.7270/Q25T3JC4
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM228170 ((S)-N-(3-(6-amino-2-(difluoromethyl)-3,3-difluoro-...) Show SMILES Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F)C#N |r,t:20| Show InChI InChI=1S/C20H16F5N5O/c1-10-6-11(8-26)9-28-16(10)17(31)29-12-2-3-14(21)13(7-12)20(18(22)23)19(24,25)5-4-15(27)30-20/h2-3,6-7,9,18H,4-5H2,1H3,(H2,27,30)(H,29,31)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.80	-46.3	n/a	n/a	n/a	n/a	n/a	4.5	25
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US10045974 (2018) BindingDB Entry DOI: 10.7270/Q2T72KF3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM228170 ((S)-N-(3-(6-amino-2-(difluoromethyl)-3,3-difluoro-...) Show SMILES Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F)C#N |r,t:20| Show InChI InChI=1S/C20H16F5N5O/c1-10-6-11(8-26)9-28-16(10)17(31)29-12-2-3-14(21)13(7-12)20(18(22)23)19(24,25)5-4-15(27)30-20/h2-3,6-7,9,18H,4-5H2,1H3,(H2,27,30)(H,29,31)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.80	-46.3	n/a	n/a	n/a	n/a	n/a	4.5	25
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US9346797 (2016) BindingDB Entry DOI: 10.7270/Q25T3JC4
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM228170 ((S)-N-(3-(6-amino-2-(difluoromethyl)-3,3-difluoro-...) Show SMILES Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F)C#N |r,t:20| Show InChI InChI=1S/C20H16F5N5O/c1-10-6-11(8-26)9-28-16(10)17(31)29-12-2-3-14(21)13(7-12)20(18(22)23)19(24,25)5-4-15(27)30-20/h2-3,6-7,9,18H,4-5H2,1H3,(H2,27,30)(H,29,31)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US10603310 (2020) BindingDB Entry DOI: 10.7270/Q24X5BTZ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM230867 (US10045974, 14 | US10603310, Compound 14 | US93467...) Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F |r,t:21| Show InChI InChI=1S/C18H16F5N5O2/c1-30-14-8-25-12(7-26-14)15(29)27-9-2-3-11(19)10(6-9)18(16(20)21)17(22,23)5-4-13(24)28-18/h2-3,6-8,16H,4-5H2,1H3,(H2,24,28)(H,27,29)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US10603310 (2020) BindingDB Entry DOI: 10.7270/Q24X5BTZ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM230867 (US10045974, 14 | US10603310, Compound 14 | US93467...) Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F |r,t:21| Show InChI InChI=1S/C18H16F5N5O2/c1-30-14-8-25-12(7-26-14)15(29)27-9-2-3-11(19)10(6-9)18(16(20)21)17(22,23)5-4-13(24)28-18/h2-3,6-8,16H,4-5H2,1H3,(H2,24,28)(H,27,29)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8.5	-46.1	n/a	n/a	n/a	n/a	n/a	4.5	25
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US9346797 (2016) BindingDB Entry DOI: 10.7270/Q25T3JC4
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM230867 (US10045974, 14 | US10603310, Compound 14 | US93467...) Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F |r,t:21| Show InChI InChI=1S/C18H16F5N5O2/c1-30-14-8-25-12(7-26-14)15(29)27-9-2-3-11(19)10(6-9)18(16(20)21)17(22,23)5-4-13(24)28-18/h2-3,6-8,16H,4-5H2,1H3,(H2,24,28)(H,27,29)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8.5	-46.1	n/a	n/a	n/a	n/a	n/a	4.5	25
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US10045974 (2018) BindingDB Entry DOI: 10.7270/Q2T72KF3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM269499 ((S)-N-(3-(6-amino-3,3-difluoro-2-(fluoromethyl)-2,...) Show SMILES COc1ccc(nc1)C(=O)Nc1cc(F)c(F)c(c1)[C@@]1(CF)N=C(N)CCC1(F)F |r,t:24| Show InChI InChI=1S/C19H17F5N4O2/c1-30-11-2-3-14(26-8-11)17(29)27-10-6-12(16(22)13(21)7-10)18(9-20)19(23,24)5-4-15(25)28-18/h2-3,6-8H,4-5,9H2,1H3,(H2,25,28)(H,27,29)/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	9	-45.9	n/a	n/a	n/a	n/a	n/a	4.5	25
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US10058540 (2018) BindingDB Entry DOI: 10.7270/Q2GB262J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM234464 (US10004738, 48 | US9353084, 17) Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)CC1(F)F |r,t:22| Show InChI InChI=1S/C20H20F4N4O2/c1-18(22)10-20(23,24)19(2,28-17(18)25)13-8-11(4-6-14(13)21)27-16(29)15-7-5-12(30-3)9-26-15/h4-9H,10H2,1-3H3,(H2,25,28)(H,27,29)/t18-,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				J Med Chem 52: 6621-36 (2009) BindingDB Entry DOI: 10.7270/Q2B85BGS
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM269503 ((S)-N-(3-(6-amino-3,3-difluoro-2-(fluoromethyl)-2,...) Show SMILES NC1=N[C@](CF)(c2cc(NC(=O)c3ccc(Br)cn3)ccc2F)C(F)(F)CC1 |r,t:1| Show InChI InChI=1S/C18H15BrF4N4O/c19-10-1-4-14(25-8-10)16(28)26-11-2-3-13(21)12(7-11)17(9-20)18(22,23)6-5-15(24)27-17/h1-4,7-8H,5-6,9H2,(H2,24,27)(H,26,28)/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	11	-45.4	n/a	n/a	n/a	n/a	n/a	4.5	25
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US10058540 (2018) BindingDB Entry DOI: 10.7270/Q2GB262J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM234464 (US10004738, 48 | US9353084, 17) Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)CC1(F)F |r,t:22| Show InChI InChI=1S/C20H20F4N4O2/c1-18(22)10-20(23,24)19(2,28-17(18)25)13-8-11(4-6-14(13)21)27-16(29)15-7-5-12(30-3)9-26-15/h4-9H,10H2,1-3H3,(H2,25,28)(H,27,29)/t18-,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	11	n/a	n/a	n/a	n/a	n/a	n/a	4.5	n/a
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US9353084 (2016) BindingDB Entry DOI: 10.7270/Q2MG7NDX
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM234451 (US10004738, 4 | US9353084, 4) Show SMILES C[C@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:9| Show InChI InChI=1S/C20H17F4N5O/c1-18(22)10-20(23,24)19(2,29-17(18)26)13-7-12(4-5-14(13)21)28-16(30)15-6-3-11(8-25)9-27-15/h3-7,9H,10H2,1-2H3,(H2,26,29)(H,28,30)/t18-,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	11	n/a	n/a	n/a	n/a	n/a	n/a	4.5	n/a
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US9353084 (2016) BindingDB Entry DOI: 10.7270/Q2MG7NDX
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM234451 (US10004738, 4 | US9353084, 4) Show SMILES C[C@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:9| Show InChI InChI=1S/C20H17F4N5O/c1-18(22)10-20(23,24)19(2,29-17(18)26)13-7-12(4-5-14(13)21)28-16(30)15-6-3-11(8-25)9-27-15/h3-7,9H,10H2,1-2H3,(H2,26,29)(H,28,30)/t18-,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				J Med Chem 52: 6621-36 (2009) BindingDB Entry DOI: 10.7270/Q2B85BGS
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM234450 (US10004738, 3 | US9353084, 3) Show SMILES C[C@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:9| Show InChI InChI=1S/C19H17ClF4N4O/c1-17(22)9-19(23,24)18(2,28-16(17)25)12-7-11(4-5-13(12)21)27-15(29)14-6-3-10(20)8-26-14/h3-8H,9H2,1-2H3,(H2,25,28)(H,27,29)/t17-,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	12	n/a	n/a	n/a	n/a	n/a	n/a	4.5	n/a
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US9353084 (2016) BindingDB Entry DOI: 10.7270/Q2MG7NDX
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM234450 (US10004738, 3 | US9353084, 3) Show SMILES C[C@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:9| Show InChI InChI=1S/C19H17ClF4N4O/c1-17(22)9-19(23,24)18(2,28-16(17)25)12-7-11(4-5-13(12)21)27-15(29)14-6-3-10(20)8-26-14/h3-8H,9H2,1-2H3,(H2,25,28)(H,27,29)/t17-,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				J Med Chem 52: 6621-36 (2009) BindingDB Entry DOI: 10.7270/Q2B85BGS
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM269487 ((S)-N-(3-(6-amino-3,3-difluoro-2-(fluoromethyl)-2,...) Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(CF)N=C(N)CCC1(F)F |r,t:23| Show InChI InChI=1S/C18H17F4N5O2/c1-29-15-8-24-13(7-25-15)16(28)26-10-2-3-12(20)11(6-10)17(9-19)18(21,22)5-4-14(23)27-17/h2-3,6-8H,4-5,9H2,1H3,(H2,23,27)(H,26,28)/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	13	-45.0	n/a	n/a	n/a	n/a	n/a	4.5	25
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US10058540 (2018) BindingDB Entry DOI: 10.7270/Q2GB262J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM234491 (US10004738, 45 | US9353084, 45) Show SMILES C[C@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F |r,c:9| Show InChI InChI=1S/C20H18F6N4O2/c1-18(24)9-20(25,26)19(2,30-16(18)27)12-7-10(3-5-13(12)21)29-15(31)14-6-4-11(8-28-14)32-17(22)23/h3-8,17H,9H2,1-2H3,(H2,27,30)(H,29,31)/t18-,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				J Med Chem 52: 6621-36 (2009) BindingDB Entry DOI: 10.7270/Q2B85BGS
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM234492 (US10004738, 46 | US9353084, 46) Show SMILES COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@@]2(C)N=C(N)[C@@](C)(F)CC2(F)F)c(F)c1 |r,t:19| Show InChI InChI=1S/C20H19F5N4O2/c1-18(23)9-20(24,25)19(2,29-17(18)26)12-6-10(4-5-13(12)21)28-16(30)15-14(22)7-11(31-3)8-27-15/h4-8H,9H2,1-3H3,(H2,26,29)(H,28,30)/t18-,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				J Med Chem 52: 6621-36 (2009) BindingDB Entry DOI: 10.7270/Q2B85BGS
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM234464 (US10004738, 48 | US9353084, 17) Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)CC1(F)F |r,t:22| Show InChI InChI=1S/C20H20F4N4O2/c1-18(22)10-20(23,24)19(2,28-17(18)25)13-8-11(4-6-14(13)21)27-16(29)15-7-5-12(30-3)9-26-15/h4-9H,10H2,1-3H3,(H2,25,28)(H,27,29)/t18-,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				J Med Chem 52: 6621-36 (2009) BindingDB Entry DOI: 10.7270/Q2B85BGS
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM230869 (US10045974, 13 | US10603310, Compound 13 | US93467...) Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F |r,t:21| Show InChI InChI=1S/C19H17F5N4O2/c1-30-11-3-5-14(26-9-11)16(29)27-10-2-4-13(20)12(8-10)19(17(21)22)18(23,24)7-6-15(25)28-19/h2-5,8-9,17H,6-7H2,1H3,(H2,25,28)(H,27,29)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US10603310 (2020) BindingDB Entry DOI: 10.7270/Q24X5BTZ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM234496 (US9353084, 48) Show SMILES COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@@]2(C)N=C(N)[C@@](C)(F)CC2(F)F)c(C)c1 |r,t:19| Show InChI InChI=1S/C21H22F4N4O2/c1-11-7-13(31-4)9-27-16(11)17(30)28-12-5-6-15(22)14(8-12)20(3)21(24,25)10-19(2,23)18(26)29-20/h5-9H,10H2,1-4H3,(H2,26,29)(H,28,30)/t19-,20+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	14	n/a	n/a	n/a	n/a	n/a	n/a	4.5	n/a
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US9353084 (2016) BindingDB Entry DOI: 10.7270/Q2MG7NDX
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM269495 ((S)-N-(3-(6-amino-3,3-difluoro-2-(fluoromethyl)-2,...) Show SMILES COc1cnc(cn1)C(=O)Nc1cc(F)c(F)c(c1)[C@@]1(CF)N=C(N)CCC1(F)F |r,t:24| Show InChI InChI=1S/C18H16F5N5O2/c1-30-14-7-25-12(6-26-14)16(29)27-9-4-10(15(21)11(20)5-9)17(8-19)18(22,23)3-2-13(24)28-17/h4-7H,2-3,8H2,1H3,(H2,24,28)(H,27,29)/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	14	-44.8	n/a	n/a	n/a	n/a	n/a	4.5	25
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US10058540 (2018) BindingDB Entry DOI: 10.7270/Q2GB262J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM230869 (US10045974, 13 | US10603310, Compound 13 | US93467...) Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F |r,t:21| Show InChI InChI=1S/C19H17F5N4O2/c1-30-11-3-5-14(26-9-11)16(29)27-10-2-4-13(20)12(8-10)19(17(21)22)18(23,24)7-6-15(25)28-19/h2-5,8-9,17H,6-7H2,1H3,(H2,25,28)(H,27,29)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	14	-44.8	n/a	n/a	n/a	n/a	n/a	4.5	25
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US9346797 (2016) BindingDB Entry DOI: 10.7270/Q25T3JC4
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM234491 (US10004738, 45 | US9353084, 45) Show SMILES C[C@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F |r,c:9| Show InChI InChI=1S/C20H18F6N4O2/c1-18(24)9-20(25,26)19(2,30-16(18)27)12-7-10(3-5-13(12)21)29-15(31)14-6-4-11(8-28-14)32-17(22)23/h3-8,17H,9H2,1-2H3,(H2,27,30)(H,29,31)/t18-,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	14	n/a	n/a	n/a	n/a	n/a	n/a	4.5	n/a
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US9353084 (2016) BindingDB Entry DOI: 10.7270/Q2MG7NDX
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM234492 (US10004738, 46 | US9353084, 46) Show SMILES COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@@]2(C)N=C(N)[C@@](C)(F)CC2(F)F)c(F)c1 |r,t:19| Show InChI InChI=1S/C20H19F5N4O2/c1-18(23)9-20(24,25)19(2,29-17(18)26)12-6-10(4-5-13(12)21)28-16(30)15-14(22)7-11(31-3)8-27-15/h4-8H,9H2,1-3H3,(H2,26,29)(H,28,30)/t18-,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	14	n/a	n/a	n/a	n/a	n/a	n/a	4.5	n/a
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US9353084 (2016) BindingDB Entry DOI: 10.7270/Q2MG7NDX
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM230869 (US10045974, 13 | US10603310, Compound 13 | US93467...) Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F |r,t:21| Show InChI InChI=1S/C19H17F5N4O2/c1-30-11-3-5-14(26-9-11)16(29)27-10-2-4-13(20)12(8-10)19(17(21)22)18(23,24)7-6-15(25)28-19/h2-5,8-9,17H,6-7H2,1H3,(H2,25,28)(H,27,29)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	14	-44.8	n/a	n/a	n/a	n/a	n/a	4.5	25
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US10045974 (2018) BindingDB Entry DOI: 10.7270/Q2T72KF3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM269489 ((S)-N-(3-(6-amino-3,3-difluoro-2-(fluoromethyl)-2,...) Show SMILES NC1=N[C@](CF)(c2cc(NC(=O)c3coc(n3)C(F)F)ccc2F)C(F)(F)CC1 |r,t:1| Show InChI InChI=1S/C17H14F6N4O2/c18-7-16(17(22,23)4-3-12(24)27-16)9-5-8(1-2-10(9)19)25-14(28)11-6-29-15(26-11)13(20)21/h1-2,5-6,13H,3-4,7H2,(H2,24,27)(H,25,28)/t16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	15	-44.7	n/a	n/a	n/a	n/a	n/a	4.5	25
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US10058540 (2018) BindingDB Entry DOI: 10.7270/Q2GB262J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM230874 (US10045974, 10 | US10603310, Compound 10 | US93467...) Show SMILES COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(N=C(N)CCC2(F)F)C(F)F)c(C)n1 |r,t:18| Show InChI InChI=1S/C19H18F5N5O2/c1-9-15(26-8-14(27-9)31-2)16(30)28-10-3-4-12(20)11(7-10)19(17(21)22)18(23,24)6-5-13(25)29-19/h3-4,7-8,17H,5-6H2,1-2H3,(H2,25,29)(H,28,30)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US10603310 (2020) BindingDB Entry DOI: 10.7270/Q24X5BTZ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM230874 (US10045974, 10 | US10603310, Compound 10 | US93467...) Show SMILES COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(N=C(N)CCC2(F)F)C(F)F)c(C)n1 |r,t:18| Show InChI InChI=1S/C19H18F5N5O2/c1-9-15(26-8-14(27-9)31-2)16(30)28-10-3-4-12(20)11(7-10)19(17(21)22)18(23,24)6-5-13(25)29-19/h3-4,7-8,17H,5-6H2,1-2H3,(H2,25,29)(H,28,30)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	16	-44.5	n/a	n/a	n/a	n/a	n/a	4.5	25
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US9346797 (2016) BindingDB Entry DOI: 10.7270/Q25T3JC4
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM269501 ((S)-N-(3-(6-amino-3,3-difluoro-2-(fluoromethyl)-2,...) Show SMILES Cc1cc(cnc1C(=O)Nc1cc(F)c(F)c(c1)[C@@]1(CF)N=C(N)CCC1(F)F)C#N |r,t:23| Show InChI InChI=1S/C20H16F5N5O/c1-10-4-11(7-26)8-28-17(10)18(31)29-12-5-13(16(23)14(22)6-12)19(9-21)20(24,25)3-2-15(27)30-19/h4-6,8H,2-3,9H2,1H3,(H2,27,30)(H,29,31)/t19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	16	-44.5	n/a	n/a	n/a	n/a	n/a	4.5	25
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US10058540 (2018) BindingDB Entry DOI: 10.7270/Q2GB262J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM230874 (US10045974, 10 | US10603310, Compound 10 | US93467...) Show SMILES COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(N=C(N)CCC2(F)F)C(F)F)c(C)n1 |r,t:18| Show InChI InChI=1S/C19H18F5N5O2/c1-9-15(26-8-14(27-9)31-2)16(30)28-10-3-4-12(20)11(7-10)19(17(21)22)18(23,24)6-5-13(25)29-19/h3-4,7-8,17H,5-6H2,1-2H3,(H2,25,29)(H,28,30)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	16	-44.5	n/a	n/a	n/a	n/a	n/a	4.5	25
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US10045974 (2018) BindingDB Entry DOI: 10.7270/Q2T72KF3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM230865 (US10045974, 1 | US10603310, Compound 1 | US9346797...) Show SMILES NC1=N[C@](C(F)F)(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)C(F)(F)CC1 |r,t:1| Show InChI InChI=1S/C18H14ClF5N4O/c19-9-1-4-13(26-8-9)15(29)27-10-2-3-12(20)11(7-10)18(16(21)22)17(23,24)6-5-14(25)28-18/h1-4,7-8,16H,5-6H2,(H2,25,28)(H,27,29)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US10603310 (2020) BindingDB Entry DOI: 10.7270/Q24X5BTZ
					More data for this Ligand-Target Pair

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