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Patent code US9975861

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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM394126
PNG
(US9975861, 6)
Show SMILES CCCNC1=NC(NC(=O)N1)c1ccc(F)cc1
Show InChI InChI=1S/C12H15FN4O/c1-2-7-14-11-15-10(16-12(18)17-11)8-3-5-9(13)6-4-8/h3-6,10H,2,7H2,1H3,(H3,14,15,16,17,18)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.34E+3n/an/an/an/an/an/a



FONDAZIONE ISTITUTO ITAIANO DI TECNOLOGIA; ALMA MATER STUDIORUM—UNIVERSITA''DI BOLOGNA

US Patent


Assay Description
Human recombinant GSK-3β was purchased from Millipore (Millipore Iberica S.A.U.) The prephosphorylated polypeptide substrate was purchased from ...


US Patent US9975861 (2018)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM394127
PNG
(US9975861, 9)
Show SMILES Fc1ccc(cc1)C1NC(=O)NC(Nc2ccccc2)=N1
Show InChI InChI=1S/C15H13FN4O/c16-11-8-6-10(7-9-11)13-18-14(20-15(21)19-13)17-12-4-2-1-3-5-12/h1-9,13H,(H3,17,18,19,20,21)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 6.93E+3n/an/an/an/an/an/a



FONDAZIONE ISTITUTO ITAIANO DI TECNOLOGIA; ALMA MATER STUDIORUM—UNIVERSITA''DI BOLOGNA

US Patent


Assay Description
Human recombinant GSK-3β was purchased from Millipore (Millipore Iberica S.A.U.) The prephosphorylated polypeptide substrate was purchased from ...


US Patent US9975861 (2018)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM394123
PNG
(US9975861, 3 | US9975861, 4 | US9975861, 5)
Show SMILES CCNC1=NC(NC(=O)N1)c1ccc(F)cc1
Show InChI InChI=1S/C11H13FN4O/c1-2-13-10-14-9(15-11(17)16-10)7-3-5-8(12)6-4-7/h3-6,9H,2H2,1H3,(H3,13,14,15,16,17)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 7.11E+3n/an/an/an/an/an/a



FONDAZIONE ISTITUTO ITAIANO DI TECNOLOGIA; ALMA MATER STUDIORUM—UNIVERSITA''DI BOLOGNA

US Patent


Assay Description
Human recombinant GSK-3β was purchased from Millipore (Millipore Iberica S.A.U.) The prephosphorylated polypeptide substrate was purchased from ...


US Patent US9975861 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM394123
PNG
(US9975861, 3 | US9975861, 4 | US9975861, 5)
Show SMILES CCNC1=NC(NC(=O)N1)c1ccc(F)cc1
Show InChI InChI=1S/C11H13FN4O/c1-2-13-10-14-9(15-11(17)16-10)7-3-5-8(12)6-4-7/h3-6,9H,2H2,1H3,(H3,13,14,15,16,17)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 8.13E+3n/an/an/an/an/an/a



FONDAZIONE ISTITUTO ITAIANO DI TECNOLOGIA; ALMA MATER STUDIORUM—UNIVERSITA''DI BOLOGNA

US Patent


Assay Description
β-secretase (BACE-1, Sigma-Aldrich) inhibition studies were performed by employing a peptide mimicking APP sequence as substrate (Methoxycoumari...


US Patent US9975861 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM394123
PNG
(US9975861, 3 | US9975861, 4 | US9975861, 5)
Show SMILES CCNC1=NC(NC(=O)N1)c1ccc(F)cc1
Show InChI InChI=1S/C11H13FN4O/c1-2-13-10-14-9(15-11(17)16-10)7-3-5-8(12)6-4-7/h3-6,9H,2H2,1H3,(H3,13,14,15,16,17)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.26E+4n/an/an/an/an/an/a



FONDAZIONE ISTITUTO ITAIANO DI TECNOLOGIA; ALMA MATER STUDIORUM—UNIVERSITA''DI BOLOGNA

US Patent


Assay Description
β-secretase (BACE-1, Sigma-Aldrich) inhibition studies were performed by employing a peptide mimicking APP sequence as substrate (Methoxycoumari...


US Patent US9975861 (2018)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM394123
PNG
(US9975861, 3 | US9975861, 4 | US9975861, 5)
Show SMILES CCNC1=NC(NC(=O)N1)c1ccc(F)cc1
Show InChI InChI=1S/C11H13FN4O/c1-2-13-10-14-9(15-11(17)16-10)7-3-5-8(12)6-4-7/h3-6,9H,2H2,1H3,(H3,13,14,15,16,17)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
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GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.26E+4n/an/an/an/an/an/a



FONDAZIONE ISTITUTO ITAIANO DI TECNOLOGIA; ALMA MATER STUDIORUM—UNIVERSITA''DI BOLOGNA

US Patent


Assay Description
Human recombinant GSK-3β was purchased from Millipore (Millipore Iberica S.A.U.) The prephosphorylated polypeptide substrate was purchased from ...


US Patent US9975861 (2018)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM394123
PNG
(US9975861, 3 | US9975861, 4 | US9975861, 5)
Show SMILES CCNC1=NC(NC(=O)N1)c1ccc(F)cc1
Show InChI InChI=1S/C11H13FN4O/c1-2-13-10-14-9(15-11(17)16-10)7-3-5-8(12)6-4-7/h3-6,9H,2H2,1H3,(H3,13,14,15,16,17)
PDB
MMDB

NCI pathway
Reactome pathway
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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.57E+4n/an/an/an/an/an/a



FONDAZIONE ISTITUTO ITAIANO DI TECNOLOGIA; ALMA MATER STUDIORUM—UNIVERSITA''DI BOLOGNA

US Patent


Assay Description
Human recombinant GSK-3β was purchased from Millipore (Millipore Iberica S.A.U.) The prephosphorylated polypeptide substrate was purchased from ...


US Patent US9975861 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM394123
PNG
(US9975861, 3 | US9975861, 4 | US9975861, 5)
Show SMILES CCNC1=NC(NC(=O)N1)c1ccc(F)cc1
Show InChI InChI=1S/C11H13FN4O/c1-2-13-10-14-9(15-11(17)16-10)7-3-5-8(12)6-4-7/h3-6,9H,2H2,1H3,(H3,13,14,15,16,17)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.61E+4n/an/an/an/an/an/a



FONDAZIONE ISTITUTO ITAIANO DI TECNOLOGIA; ALMA MATER STUDIORUM—UNIVERSITA''DI BOLOGNA

US Patent


Assay Description
β-secretase (BACE-1, Sigma-Aldrich) inhibition studies were performed by employing a peptide mimicking APP sequence as substrate (Methoxycoumari...


US Patent US9975861 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM394126
PNG
(US9975861, 6)
Show SMILES CCCNC1=NC(NC(=O)N1)c1ccc(F)cc1
Show InChI InChI=1S/C12H15FN4O/c1-2-7-14-11-15-10(16-12(18)17-11)8-3-5-9(13)6-4-8/h3-6,10H,2,7H2,1H3,(H3,14,15,16,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.68E+4n/an/an/an/an/an/a



FONDAZIONE ISTITUTO ITAIANO DI TECNOLOGIA; ALMA MATER STUDIORUM—UNIVERSITA''DI BOLOGNA

US Patent


Assay Description
β-secretase (BACE-1, Sigma-Aldrich) inhibition studies were performed by employing a peptide mimicking APP sequence as substrate (Methoxycoumari...


US Patent US9975861 (2018)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM394122
PNG
(US9975861, 2)
Show SMILES CNC1=NC(NC(=O)N1)c1ccccc1C
Show InChI InChI=1S/C11H14N4O/c1-7-5-3-4-6-8(7)9-13-10(12-2)15-11(16)14-9/h3-6,9H,1-2H3,(H3,12,13,14,15,16)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.07E+4n/an/an/an/an/an/a



FONDAZIONE ISTITUTO ITAIANO DI TECNOLOGIA; ALMA MATER STUDIORUM—UNIVERSITA''DI BOLOGNA

US Patent


Assay Description
Human recombinant GSK-3β was purchased from Millipore (Millipore Iberica S.A.U.) The prephosphorylated polypeptide substrate was purchased from ...


US Patent US9975861 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM394122
PNG
(US9975861, 2)
Show SMILES CNC1=NC(NC(=O)N1)c1ccccc1C
Show InChI InChI=1S/C11H14N4O/c1-7-5-3-4-6-8(7)9-13-10(12-2)15-11(16)14-9/h3-6,9H,1-2H3,(H3,12,13,14,15,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.03E+4n/an/an/an/an/an/a



FONDAZIONE ISTITUTO ITAIANO DI TECNOLOGIA; ALMA MATER STUDIORUM—UNIVERSITA''DI BOLOGNA

US Patent


Assay Description
β-secretase (BACE-1, Sigma-Aldrich) inhibition studies were performed by employing a peptide mimicking APP sequence as substrate (Methoxycoumari...


US Patent US9975861 (2018)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%