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Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with all data for entry = 7445   
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 amyloid A4 protein


(Homo sapiens (human))
BDBM195597
PNG
(US9216974, WC-5-5)
Show SMILES COc1ccc(COc2ccc3nc4ccc(=O)cc4oc3c2)cc1
Show InChI InChI=1S/C20H15NO4/c1-23-15-5-2-13(3-6-15)12-24-16-7-9-18-20(11-16)25-19-10-14(22)4-8-17(19)21-18/h2-11H,12H2,1H3
PDB
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218n/an/an/an/an/an/an/an/a



WASHINGTON UNIVERSITY

US Patent


Assay Description
To determine the Ki values, fixed brain tissues prepared from 15-month-old Tg2576 mice (N=5) will be incubated for 30 min with 1 μM methoxy-X34 ...


US Patent US9216974 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3ZCG
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM21360
PNG
(7-ethoxy-3H-phenoxazin-3-one | 7-ethoxyresorufin |...)
Show SMILES CCOc1ccc2nc3ccc(=O)cc3oc2c1
Show InChI InChI=1S/C14H11NO3/c1-2-17-10-4-6-12-14(8-10)18-13-7-9(16)3-5-11(13)15-12/h3-8H,2H2,1H3
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Patents

262n/an/an/an/an/an/an/an/a



WASHINGTON UNIVERSITY

US Patent


Assay Description
To determine the Ki values, fixed brain tissues prepared from 15-month-old Tg2576 mice (N=5) will be incubated for 30 min with 1 μM methoxy-X34 ...


US Patent US9216974 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3ZCG
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM195592
PNG
(US9216974, WC-5-42)
Show SMILES COCCOc1ccc2nc3ccc(=O)cc3oc2c1
Show InChI InChI=1S/C15H13NO4/c1-18-6-7-19-11-3-5-13-15(9-11)20-14-8-10(17)2-4-12(14)16-13/h2-5,8-9H,6-7H2,1H3
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347n/an/an/an/an/an/an/an/a



WASHINGTON UNIVERSITY

US Patent


Assay Description
To determine the Ki values, fixed brain tissues prepared from 15-month-old Tg2576 mice (N=5) will be incubated for 30 min with 1 μM methoxy-X34 ...


US Patent US9216974 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3ZCG
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM195593
PNG
(US9216974, WC-5-43)
Show SMILES COCCOCCOc1ccc2nc3ccc(=O)cc3oc2c1
Show InChI InChI=1S/C17H17NO5/c1-20-6-7-21-8-9-22-13-3-5-15-17(11-13)23-16-10-12(19)2-4-14(16)18-15/h2-5,10-11H,6-9H2,1H3
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407n/an/an/an/an/an/an/an/a



WASHINGTON UNIVERSITY

US Patent


Assay Description
To determine the Ki values, fixed brain tissues prepared from 15-month-old Tg2576 mice (N=5) will be incubated for 30 min with 1 μM methoxy-X34 ...


US Patent US9216974 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3ZCG
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM195594
PNG
(US9216974, WC-5-45)
Show SMILES COc1ccc(OCCOc2ccc3nc4ccc(=O)cc4oc3c2)cc1
Show InChI InChI=1S/C21H17NO5/c1-24-15-3-5-16(6-4-15)25-10-11-26-17-7-9-19-21(13-17)27-20-12-14(23)2-8-18(20)22-19/h2-9,12-13H,10-11H2,1H3
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421n/an/an/an/an/an/an/an/a



WASHINGTON UNIVERSITY

US Patent


Assay Description
To determine the Ki values, fixed brain tissues prepared from 15-month-old Tg2576 mice (N=5) will be incubated for 30 min with 1 μM methoxy-X34 ...


US Patent US9216974 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3ZCG
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM195596
PNG
(US9216974, WC-5-8)
Show SMILES CC(=O)OCCOc1ccc2nc3ccc(=O)cc3oc2c1
Show InChI InChI=1S/C16H13NO5/c1-10(18)20-6-7-21-12-3-5-14-16(9-12)22-15-8-11(19)2-4-13(15)17-14/h2-5,8-9H,6-7H2,1H3
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860n/an/an/an/an/an/an/an/a



WASHINGTON UNIVERSITY

US Patent


Assay Description
To determine the Ki values, fixed brain tissues prepared from 15-month-old Tg2576 mice (N=5) will be incubated for 30 min with 1 μM methoxy-X34 ...


US Patent US9216974 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3ZCG
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM195600
PNG
(US9216974, WC-5-1)
Show SMILES O=c1ccc2nc3ccc(OC#C)cc3oc2c1
Show InChI InChI=1S/C14H7NO3/c1-2-17-10-4-6-12-14(8-10)18-13-7-9(16)3-5-11(13)15-12/h1,3-8H
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4.61E+3n/an/an/an/an/an/an/an/a



WASHINGTON UNIVERSITY

US Patent


Assay Description
To determine the Ki values, fixed brain tissues prepared from 15-month-old Tg2576 mice (N=5) will be incubated for 30 min with 1 μM methoxy-X34 ...


US Patent US9216974 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3ZCG
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM195584
PNG
(US9216974, Methoxy-resorufin)
Show SMILES COc1ccc2nc3ccc(=O)cc3oc2c1
Show InChI InChI=1S/C13H9NO3/c1-16-9-3-5-11-13(7-9)17-12-6-8(15)2-4-10(12)14-11/h2-7H,1H3
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4.68E+3n/an/an/an/an/an/an/an/a



WASHINGTON UNIVERSITY

US Patent


Assay Description
To determine the Ki values, fixed brain tissues prepared from 15-month-old Tg2576 mice (N=5) will be incubated for 30 min with 1 μM methoxy-X34 ...


US Patent US9216974 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3ZCG
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM195589
PNG
(US9216974, WC-5-47)
Show SMILES COc1ccc(OCCOCCOc2ccc3nc4ccc(=O)cc4oc3c2)cc1
Show InChI InChI=1S/C23H21NO6/c1-26-17-3-5-18(6-4-17)28-12-10-27-11-13-29-19-7-9-21-23(15-19)30-22-14-16(25)2-8-20(22)24-21/h2-9,14-15H,10-13H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



WASHINGTON UNIVERSITY

US Patent


Assay Description
To determine the Ki values, fixed brain tissues prepared from 15-month-old Tg2576 mice (N=5) will be incubated for 30 min with 1 μM methoxy-X34 ...


US Patent US9216974 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3ZCG
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM195588
PNG
(US9216974, WC-5-31)
Show SMILES Ic1ccc(COc2ccc3nc4ccc(=O)cc4oc3c2)cc1
Show InChI InChI=1S/C19H12INO3/c20-13-3-1-12(2-4-13)11-23-15-6-8-17-19(10-15)24-18-9-14(22)5-7-16(18)21-17/h1-10H,11H2
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n/an/an/a>1.00E+4n/an/an/an/an/a



WASHINGTON UNIVERSITY

US Patent


Assay Description
To determine the Ki values, fixed brain tissues prepared from 15-month-old Tg2576 mice (N=5) will be incubated for 30 min with 1 μM methoxy-X34 ...


US Patent US9216974 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3ZCG
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM195595
PNG
(US9216974, WC-5-9)
Show SMILES BrCCOc1ccc2nc3ccc(=O)cc3oc2c1
Show InChI InChI=1S/C14H10BrNO3/c15-5-6-18-10-2-4-12-14(8-10)19-13-7-9(17)1-3-11(13)16-12/h1-4,7-8H,5-6H2
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n/an/an/a 927n/an/an/an/an/a



WASHINGTON UNIVERSITY

US Patent


Assay Description
To determine the Ki values, fixed brain tissues prepared from 15-month-old Tg2576 mice (N=5) will be incubated for 30 min with 1 μM methoxy-X34 ...


US Patent US9216974 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3ZCG
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM195598
PNG
(US9216974, WC-5-4)
Show SMILES COc1cccc(COc2ccc3nc4ccc(=O)cc4oc3c2)c1
Show InChI InChI=1S/C20H15NO4/c1-23-15-4-2-3-13(9-15)12-24-16-6-8-18-20(11-16)25-19-10-14(22)5-7-17(19)21-18/h2-11H,12H2,1H3
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n/an/an/a 537n/an/an/an/an/a



WASHINGTON UNIVERSITY

US Patent


Assay Description
To determine the Ki values, fixed brain tissues prepared from 15-month-old Tg2576 mice (N=5) will be incubated for 30 min with 1 μM methoxy-X34 ...


US Patent US9216974 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3ZCG
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM195585
PNG
(US9216974, WC-5-3)
Show SMILES FCCn1cc(COc2ccc3nc4ccc(=O)cc4oc3c2)nn1
Show InChI InChI=1S/C17H13FN4O3/c18-5-6-22-9-11(20-21-22)10-24-13-2-4-15-17(8-13)25-16-7-12(23)1-3-14(16)19-15/h1-4,7-9H,5-6,10H2
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n/an/an/a 2.38E+3n/an/an/an/an/a



WASHINGTON UNIVERSITY

US Patent


Assay Description
To determine the Ki values, fixed brain tissues prepared from 15-month-old Tg2576 mice (N=5) will be incubated for 30 min with 1 μM methoxy-X34 ...


US Patent US9216974 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3ZCG
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM195599
PNG
(US9216974, WC-5-2)
Show SMILES FCCOc1ccc2nc3ccc(=O)cc3oc2c1
Show InChI InChI=1S/C14H10FNO3/c15-5-6-18-10-2-4-12-14(8-10)19-13-7-9(17)1-3-11(13)16-12/h1-4,7-8H,5-6H2
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n/an/an/a 800n/an/an/an/an/a



WASHINGTON UNIVERSITY

US Patent


Assay Description
To determine the Ki values, fixed brain tissues prepared from 15-month-old Tg2576 mice (N=5) will be incubated for 30 min with 1 μM methoxy-X34 ...


US Patent US9216974 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3ZCG
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM195600
PNG
(US9216974, WC-5-1)
Show SMILES O=c1ccc2nc3ccc(OC#C)cc3oc2c1
Show InChI InChI=1S/C14H7NO3/c1-2-17-10-4-6-12-14(8-10)18-13-7-9(16)3-5-11(13)15-12/h1,3-8H
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n/an/an/a 828n/an/an/an/an/a



WASHINGTON UNIVERSITY

US Patent


Assay Description
To determine the Ki values, fixed brain tissues prepared from 15-month-old Tg2576 mice (N=5) will be incubated for 30 min with 1 μM methoxy-X34 ...


US Patent US9216974 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3ZCG
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM195591
PNG
(US9216974,Resorufin | US9333197, Resorufin)
Show SMILES Oc1ccc2nc3ccc(=O)cc3oc2c1
Show InChI InChI=1S/C12H7NO3/c14-7-1-3-9-11(5-7)16-12-6-8(15)2-4-10(12)13-9/h1-6,14H
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n/an/an/a 225n/an/an/an/an/a



WASHINGTON UNIVERSITY

US Patent


Assay Description
To determine the Ki values, fixed brain tissues prepared from 15-month-old Tg2576 mice (N=5) will be incubated for 30 min with 1 μM methoxy-X34 ...


US Patent US9216974 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3ZCG
More data for this
Ligand-Target Pair