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Patent code US9346827

Compile Data Set for Download or QSAR
Found 11 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
Beta-secretase 1


(Homo sapiens (Human))		BDBM50393095
PNG
(CHEMBL2152910 | US9346827, 14)
Show SMILES NC1=N[C@@]2(COCC1)c1cc(ccc1Oc1cnc(cc21)-c1ccnc(F)c1)-c1cccnc1F |r,t:1|
Show InChI InChI=1S/C26H19F2N5O2/c27-23-11-16(5-8-30-23)20-12-19-22(13-32-20)35-21-4-3-15(17-2-1-7-31-25(17)28)10-18(21)26(19)14-34-9-6-24(29)33-26/h1-5,7-8,10-13H,6,9,14H2,(H2,29,33)/t26-/m0/s1
PDB
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UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 0.5n/an/an/an/a4.2n/a



Amgen Inc.

US Patent


Assay Description
The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...

US Patent US9346827 (2016)


BindingDB Entry DOI: 10.7270/Q2RN36Q1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50393096
PNG
(CHEMBL2152911 | US9346827, 15)
Show SMILES CC(C)(C)COc1cc(F)c2Oc3ccc(cc3[C@@]3(COCCC(N)=N3)c2c1)-c1cccnc1F |r,c:25|
Show InChI InChI=1S/C27H27F2N3O3/c1-26(2,3)14-34-17-12-20-24(21(28)13-17)35-22-7-6-16(18-5-4-9-31-25(18)29)11-19(22)27(20)15-33-10-8-23(30)32-27/h4-7,9,11-13H,8,10,14-15H2,1-3H3,(H2,30,32)/t27-/m0/s1
PDB
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UniProtKB/SwissProt

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antibodypedia
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UniChem
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n/an/a 0.5n/an/an/an/a4.2n/a



Amgen Inc.

US Patent


Assay Description
The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...

US Patent US9346827 (2016)


BindingDB Entry DOI: 10.7270/Q2RN36Q1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM231561
PNG
(US9346827, 4)
Show SMILES CC(C)(C)COc1cc(F)c2Oc3ccc(cc3C3(COCCC(N)=N3)c2c1)-c1cccnc1F |c:25|
Show InChI InChI=1S/C27H27F2N3O3/c1-26(2,3)14-34-17-12-20-24(21(28)13-17)35-22-7-6-16(18-5-4-9-31-25(18)29)11-19(22)27(20)15-33-10-8-23(30)32-27/h4-7,9,11-13H,8,10,14-15H2,1-3H3,(H2,30,32)
PDB
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antibodypedia
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PC cid
PC sid
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n/an/a 1n/an/an/an/a4.2n/a



Amgen Inc.

US Patent


Assay Description
The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...

US Patent US9346827 (2016)


BindingDB Entry DOI: 10.7270/Q2RN36Q1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM231557
PNG
(US9346827, 2)
Show SMILES NC1=NC2(COCC1)c1cc(ccc1Oc1cnc(cc21)-c1ccnc(F)c1)-c1cccnc1F |t:1|
Show InChI InChI=1S/C26H19F2N5O2/c27-23-11-16(5-8-30-23)20-12-19-22(13-32-20)35-21-4-3-15(17-2-1-7-31-25(17)28)10-18(21)26(19)14-34-9-6-24(29)33-26/h1-5,7-8,10-13H,6,9,14H2,(H2,29,33)
PDB
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n/an/a 1n/an/an/an/a4.2n/a



Amgen Inc.

US Patent


Assay Description
The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...

US Patent US9346827 (2016)


BindingDB Entry DOI: 10.7270/Q2RN36Q1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM231564
PNG
(US9346827, 18)
Show SMILES NC1=N[C@@]2(COCC1)c1cc(ccc1Oc1cnc(cc21)-c1ccc(F)c(F)c1)-c1cccnc1F |r,t:1|
Show InChI InChI=1S/C27H19F3N4O2/c28-20-5-3-16(11-21(20)29)22-12-19-24(13-33-22)36-23-6-4-15(17-2-1-8-32-26(17)30)10-18(23)27(19)14-35-9-7-25(31)34-27/h1-6,8,10-13H,7,9,14H2,(H2,31,34)/t27-/m0/s1
PDB
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n/an/a 2n/an/an/an/a4.2n/a



Amgen Inc.

US Patent


Assay Description
The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...

US Patent US9346827 (2016)


BindingDB Entry DOI: 10.7270/Q2RN36Q1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM231565
PNG
(US9346827, 19)
Show SMILES NC1=N[C@@]2(COCC1)c1cc(ccc1Oc1cnc(cc21)N1CCC(F)(F)C1)-c1cccnc1F |r,t:1|
Show InChI InChI=1S/C25H22F3N5O2/c26-23-16(2-1-7-30-23)15-3-4-19-17(10-15)25(14-34-9-5-21(29)32-25)18-11-22(31-12-20(18)35-19)33-8-6-24(27,28)13-33/h1-4,7,10-12H,5-6,8-9,13-14H2,(H2,29,32)/t25-/m0/s1
PDB
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n/an/a 3n/an/an/an/a4.2n/a



Amgen Inc.

US Patent


Assay Description
The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...

US Patent US9346827 (2016)


BindingDB Entry DOI: 10.7270/Q2RN36Q1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM231558
PNG
(US9346827, 13 | US9346827, 17)
Show SMILES NC1=N[C@]2(COCC1)c1cc(ccc1Oc1cnc(cc21)-c1ccnc(F)c1)-c1cccnc1F |r,t:1|
Show InChI InChI=1S/C26H19F2N5O2/c27-23-11-16(5-8-30-23)20-12-19-22(13-32-20)35-21-4-3-15(17-2-1-7-31-25(17)28)10-18(21)26(19)14-34-9-6-24(29)33-26/h1-5,7-8,10-13H,6,9,14H2,(H2,29,33)/t26-/m1/s1
PDB
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UniProtKB/SwissProt

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n/an/a 139n/an/an/an/a4.2n/a



Amgen Inc.

US Patent


Assay Description
The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...

US Patent US9346827 (2016)


BindingDB Entry DOI: 10.7270/Q2RN36Q1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM231562
PNG
(US9346827, 16)
Show SMILES CC(C)(C)COc1cc(F)c2Oc3ccc(cc3[C@]3(COCCC(N)=N3)c2c1)-c1cccnc1F |r,c:25|
Show InChI InChI=1S/C27H27F2N3O3/c1-26(2,3)14-34-17-12-20-24(21(28)13-17)35-22-7-6-16(18-5-4-9-31-25(18)29)11-19(22)27(20)15-33-10-8-23(30)32-27/h4-7,9,11-13H,8,10,14-15H2,1-3H3,(H2,30,32)/t27-/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

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antibodypedia
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PC sid
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US Patent
n/an/a 285n/an/an/an/a4.2n/a



Amgen Inc.

US Patent


Assay Description
The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...

US Patent US9346827 (2016)


BindingDB Entry DOI: 10.7270/Q2RN36Q1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM231558
PNG
(US9346827, 13 | US9346827, 17)
Show SMILES NC1=N[C@]2(COCC1)c1cc(ccc1Oc1cnc(cc21)-c1ccnc(F)c1)-c1cccnc1F |r,t:1|
Show InChI InChI=1S/C26H19F2N5O2/c27-23-11-16(5-8-30-23)20-12-19-22(13-32-20)35-21-4-3-15(17-2-1-7-31-25(17)28)10-18(21)26(19)14-34-9-6-24(29)33-26/h1-5,7-8,10-13H,6,9,14H2,(H2,29,33)/t26-/m1/s1
PDB
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UniProtKB/SwissProt

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PC sid
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n/an/a 369n/an/an/an/a4.2n/a



Amgen Inc.

US Patent


Assay Description
The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...

US Patent US9346827 (2016)


BindingDB Entry DOI: 10.7270/Q2RN36Q1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM231559
PNG
(US9346827, 3B)
Show SMILES NC1=N[C@@]2(COCC1)c1cc(Br)ccc1Oc1cnc(Cl)cc21 |r,t:1|
Show InChI InChI=1S/C16H13BrClN3O2/c17-9-1-2-12-10(5-9)16(8-22-4-3-15(19)21-16)11-6-14(18)20-7-13(11)23-12/h1-2,5-7H,3-4,8H2,(H2,19,21)/t16-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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US Patent
n/an/a 3.83E+3n/an/an/an/a4.2n/a



Amgen Inc.

US Patent


Assay Description
The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...

US Patent US9346827 (2016)


BindingDB Entry DOI: 10.7270/Q2RN36Q1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM231560
PNG
(US9346827, 3A)
Show SMILES NC1=N[C@]2(COCC1)c1cc(Br)ccc1Oc1cnc(Cl)cc21 |r,t:1|
Show InChI InChI=1S/C16H13BrClN3O2/c17-9-1-2-12-10(5-9)16(8-22-4-3-15(19)21-16)11-6-14(18)20-7-13(11)23-12/h1-2,5-7H,3-4,8H2,(H2,19,21)/t16-/m1/s1
PDB
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UniProtKB/SwissProt

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n/an/a 9.23E+3n/an/an/an/a4.2n/a



Amgen Inc.

US Patent


Assay Description
The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...

US Patent US9346827 (2016)


BindingDB Entry DOI: 10.7270/Q2RN36Q1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%