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Patent code US9260455

Compile Data Set for Download or QSAR
Found 15 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Isoform D of Beta-secretase 1 (BACE-I-432)


(Homo sapiens (Human))		BDBM50078321
PNG
(CHEMBL3414711 | US9260455, 7)
Show SMILES [H][C@]12CSC(N)=N[C@]1(CO[C@@H](CC(C)C)C2)c1ccc(F)cc1F |r,c:5|
Show InChI InChI=1S/C17H22F2N2OS/c1-10(2)5-13-6-11-8-23-16(20)21-17(11,9-22-13)14-4-3-12(18)7-15(14)19/h3-4,7,10-11,13H,5-6,8-9H2,1-2H3,(H2,20,21)/t11-,13-,17-/m0/s1
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US Patent
n/an/a 118n/an/an/an/a4.537



Pfizer Inc.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...

US Patent US9260455 (2016)


BindingDB Entry DOI: 10.7270/Q2GB22WN
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM207626
PNG
(US9260455, 5)
Show SMILES CCOC[C@H]1C[C@H]2[C@@H](C)SC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:11|
Show InChI InChI=1S/C17H22F2N2O2S/c1-3-22-8-12-7-14-10(2)24-16(20)21-17(14,9-23-12)13-5-4-11(18)6-15(13)19/h4-6,10,12,14H,3,7-9H2,1-2H3,(H2,20,21)/t10-,12-,14+,17-/m1/s1
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n/an/a 274n/an/an/an/a4.537



Pfizer Inc.

US Patent


Assay Description
This assay measures the inhibition of the BACE2 enzyme as it cleaves a non-native peptide. A synthetic substrate that can be cleaved by BACE2 having ...

US Patent US9260455 (2016)


BindingDB Entry DOI: 10.7270/Q2GB22WN
More data for this
Ligand-Target Pair
Isoform D of Beta-secretase 1 (BACE-I-432)


(Homo sapiens (Human))		BDBM207626
PNG
(US9260455, 5)
Show SMILES CCOC[C@H]1C[C@H]2[C@@H](C)SC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:11|
Show InChI InChI=1S/C17H22F2N2O2S/c1-3-22-8-12-7-14-10(2)24-16(20)21-17(14,9-23-12)13-5-4-11(18)6-15(13)19/h4-6,10,12,14H,3,7-9H2,1-2H3,(H2,20,21)/t10-,12-,14+,17-/m1/s1
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US Patent
n/an/a 613n/an/an/an/a4.537



Pfizer Inc.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...

US Patent US9260455 (2016)


BindingDB Entry DOI: 10.7270/Q2GB22WN
More data for this
Ligand-Target Pair
Isoform D of Beta-secretase 1 (BACE-I-432)


(Homo sapiens (Human))		BDBM50078320
PNG
(CHEMBL3414700 | US9260455, 4)
Show SMILES [H][C@]12CSC(N)=N[C@]1(CO[C@H](C2)C(F)F)c1ccc(F)cc1F |r,c:5|
Show InChI InChI=1S/C14H14F4N2OS/c15-8-1-2-9(10(16)4-8)14-6-21-11(12(17)18)3-7(14)5-22-13(19)20-14/h1-2,4,7,11-12H,3,5-6H2,(H2,19,20)/t7-,11+,14-/m0/s1
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n/an/a 672n/an/an/an/a4.537



Pfizer Inc.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...

US Patent US9260455 (2016)


BindingDB Entry DOI: 10.7270/Q2GB22WN
More data for this
Ligand-Target Pair
Isoform D of Beta-secretase 1 (BACE-I-432)


(Homo sapiens (Human))		BDBM50078349
PNG
(CHEMBL3414707 | US9260455, 3)
Show SMILES [H][C@]12CSC(N)=N[C@]1(CO[C@@H](C)C2)c1ccc(F)cc1F |r,c:5|
Show InChI InChI=1S/C14H16F2N2OS/c1-8-4-9-6-20-13(17)18-14(9,7-19-8)11-3-2-10(15)5-12(11)16/h2-3,5,8-9H,4,6-7H2,1H3,(H2,17,18)/t8-,9-,14-/m0/s1
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US Patent
n/an/a 704n/an/an/an/a4.537



Pfizer Inc.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...

US Patent US9260455 (2016)


BindingDB Entry DOI: 10.7270/Q2GB22WN
More data for this
Ligand-Target Pair
Isoform D of Beta-secretase 1 (BACE-I-432)


(Homo sapiens (Human))		BDBM207627
PNG
(US9260455, 6)
Show SMILES CC(C)OC[C@H]1C[C@H]2[C@@H](C)SC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:12|
Show InChI InChI=1S/C18H24F2N2O2S/c1-10(2)23-8-13-7-15-11(3)25-17(21)22-18(15,9-24-13)14-5-4-12(19)6-16(14)20/h4-6,10-11,13,15H,7-9H2,1-3H3,(H2,21,22)/t11-,13-,15+,18-/m1/s1
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US Patent
n/an/a 718n/an/an/an/a4.537



Pfizer Inc.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...

US Patent US9260455 (2016)


BindingDB Entry DOI: 10.7270/Q2GB22WN
More data for this
Ligand-Target Pair
Isoform D of Beta-secretase 1 (BACE-I-432)


(Homo sapiens (Human))		BDBM50081643
PNG
(CHEMBL3422240 | US9260455, 2)
Show SMILES [H][C@@]12C[C@H](COC)OC[C@@]1(N=C(N)S[C@@H]2C)c1ccc(F)cc1F |r,t:11|
Show InChI InChI=1S/C16H20F2N2O2S/c1-9-13-6-11(7-21-2)22-8-16(13,20-15(19)23-9)12-4-3-10(17)5-14(12)18/h3-5,9,11,13H,6-8H2,1-2H3,(H2,19,20)/t9-,11-,13+,16-/m1/s1
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US Patent
n/an/a 737n/an/an/an/a4.537



Pfizer Inc.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...

US Patent US9260455 (2016)


BindingDB Entry DOI: 10.7270/Q2GB22WN
More data for this
Ligand-Target Pair
Isoform D of Beta-secretase 1 (BACE-I-432)


(Homo sapiens (Human))		BDBM207625
PNG
(US9260455, 1)
Show SMILES C[C@H]1SC(N)=N[C@]2(CO[C@@H](CF)C[C@@H]12)c1ccc(F)cc1F |c:4|
Show InChI InChI=1S/C15H17F3N2OS/c1-8-12-5-10(6-16)21-7-15(12,20-14(19)22-8)11-3-2-9(17)4-13(11)18/h2-4,8,10,12H,5-7H2,1H3,(H2,19,20)/t8-,10-,12+,15-/m1/s1
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US Patent
n/an/a 805n/an/an/an/a4.537



Pfizer Inc.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...

US Patent US9260455 (2016)


BindingDB Entry DOI: 10.7270/Q2GB22WN
More data for this
Ligand-Target Pair
Isoform D of Beta-secretase 1 (BACE-I-432)


(Homo sapiens (Human))		BDBM50078324
PNG
(CHEMBL3414708 | US9260455, 8)
Show SMILES [H][C@]12CSC(N)=N[C@]1(CO[C@@H](COC)C2)c1ccc(F)cc1F |r,c:5|
Show InChI InChI=1S/C15H18F2N2O2S/c1-20-6-11-4-9-7-22-14(18)19-15(9,8-21-11)12-3-2-10(16)5-13(12)17/h2-3,5,9,11H,4,6-8H2,1H3,(H2,18,19)/t9-,11+,15-/m0/s1
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US Patent
n/an/a 855n/an/an/an/a4.537



Pfizer Inc.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...

US Patent US9260455 (2016)


BindingDB Entry DOI: 10.7270/Q2GB22WN
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM50078349
PNG
(CHEMBL3414707 | US9260455, 3)
Show SMILES [H][C@]12CSC(N)=N[C@]1(CO[C@@H](C)C2)c1ccc(F)cc1F |r,c:5|
Show InChI InChI=1S/C14H16F2N2OS/c1-8-4-9-6-20-13(17)18-14(9,7-19-8)11-3-2-10(15)5-12(11)16/h2-3,5,8-9H,4,6-7H2,1H3,(H2,17,18)/t8-,9-,14-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
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US Patent
n/an/a 1.14E+3n/an/an/an/a4.537



Pfizer Inc.

US Patent


Assay Description
This assay measures the inhibition of the BACE2 enzyme as it cleaves a non-native peptide. A synthetic substrate that can be cleaved by BACE2 having ...

US Patent US9260455 (2016)


BindingDB Entry DOI: 10.7270/Q2GB22WN
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM207625
PNG
(US9260455, 1)
Show SMILES C[C@H]1SC(N)=N[C@]2(CO[C@@H](CF)C[C@@H]12)c1ccc(F)cc1F |c:4|
Show InChI InChI=1S/C15H17F3N2OS/c1-8-12-5-10(6-16)21-7-15(12,20-14(19)22-8)11-3-2-9(17)4-13(11)18/h2-4,8,10,12H,5-7H2,1H3,(H2,19,20)/t8-,10-,12+,15-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
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US Patent
n/an/a 1.56E+3n/an/an/an/a4.537



Pfizer Inc.

US Patent


Assay Description
This assay measures the inhibition of the BACE2 enzyme as it cleaves a non-native peptide. A synthetic substrate that can be cleaved by BACE2 having ...

US Patent US9260455 (2016)


BindingDB Entry DOI: 10.7270/Q2GB22WN
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM50078324
PNG
(CHEMBL3414708 | US9260455, 8)
Show SMILES [H][C@]12CSC(N)=N[C@]1(CO[C@@H](COC)C2)c1ccc(F)cc1F |r,c:5|
Show InChI InChI=1S/C15H18F2N2O2S/c1-20-6-11-4-9-7-22-14(18)19-15(9,8-21-11)12-3-2-10(16)5-13(12)17/h2-3,5,9,11H,4,6-8H2,1H3,(H2,18,19)/t9-,11+,15-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
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US Patent
n/an/a 1.63E+3n/an/an/an/a4.537



Pfizer Inc.

US Patent


Assay Description
This assay measures the inhibition of the BACE2 enzyme as it cleaves a non-native peptide. A synthetic substrate that can be cleaved by BACE2 having ...

US Patent US9260455 (2016)


BindingDB Entry DOI: 10.7270/Q2GB22WN
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM50078320
PNG
(CHEMBL3414700 | US9260455, 4)
Show SMILES [H][C@]12CSC(N)=N[C@]1(CO[C@H](C2)C(F)F)c1ccc(F)cc1F |r,c:5|
Show InChI InChI=1S/C14H14F4N2OS/c15-8-1-2-9(10(16)4-8)14-6-21-11(12(17)18)3-7(14)5-22-13(19)20-14/h1-2,4,7,11-12H,3,5-6H2,(H2,19,20)/t7-,11+,14-/m0/s1
PDB

UniProtKB/SwissProt

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US Patent
n/an/a 2.14E+3n/an/an/an/a4.537



Pfizer Inc.

US Patent


Assay Description
This assay measures the inhibition of the BACE2 enzyme as it cleaves a non-native peptide. A synthetic substrate that can be cleaved by BACE2 having ...

US Patent US9260455 (2016)


BindingDB Entry DOI: 10.7270/Q2GB22WN
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM50081643
PNG
(CHEMBL3422240 | US9260455, 2)
Show SMILES [H][C@@]12C[C@H](COC)OC[C@@]1(N=C(N)S[C@@H]2C)c1ccc(F)cc1F |r,t:11|
Show InChI InChI=1S/C16H20F2N2O2S/c1-9-13-6-11(7-21-2)22-8-16(13,20-15(19)23-9)12-4-3-10(17)5-14(12)18/h3-5,9,11,13H,6-8H2,1-2H3,(H2,19,20)/t9-,11-,13+,16-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
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US Patent
n/an/a 2.31E+3n/an/an/an/a4.537



Pfizer Inc.

US Patent


Assay Description
This assay measures the inhibition of the BACE2 enzyme as it cleaves a non-native peptide. A synthetic substrate that can be cleaved by BACE2 having ...

US Patent US9260455 (2016)


BindingDB Entry DOI: 10.7270/Q2GB22WN
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM207627
PNG
(US9260455, 6)
Show SMILES CC(C)OC[C@H]1C[C@H]2[C@@H](C)SC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:12|
Show InChI InChI=1S/C18H24F2N2O2S/c1-10(2)23-8-13-7-15-11(3)25-17(21)22-18(15,9-24-13)14-5-4-12(19)6-16(14)20/h4-6,10-11,13,15H,7-9H2,1-3H3,(H2,21,22)/t11-,13-,15+,18-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
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UniChem
US Patent
n/an/a 5.08E+3n/an/an/an/a4.537



Pfizer Inc.

US Patent


Assay Description
This assay measures the inhibition of the BACE2 enzyme as it cleaves a non-native peptide. A synthetic substrate that can be cleaved by BACE2 having ...

US Patent US9260455 (2016)


BindingDB Entry DOI: 10.7270/Q2GB22WN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%