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Patent code US10590106

Compile Data Set for Download or QSAR
Found 12 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
B-RAF V600E


(Homo sapiens (Human))
BDBM436181
PNG
(US10590106, Compound C075)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2ccc(Oc3ccc4nccnc4c3)cc2)c1
Show InChI InChI=1S/C22H15F3N4O2/c23-22(24,25)14-2-1-3-16(12-14)29-21(30)28-15-4-6-17(7-5-15)31-18-8-9-19-20(13-18)27-11-10-26-19/h1-13H,(H2,28,29,30)
PDB

GoogleScholar
UniChem
US Patent
n/an/a>100n/an/an/an/an/an/a



NeuPharma, Inc.

US Patent


Assay Description
Inhibitory activities Inhibitory activities of compounds against BRAF, and BRAF V600E were measured by Invitrogen using Z′-LYTEŽ Method as brie...


US Patent US10590106 (2020)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM436176
PNG
(US10590106, Compound C001)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2cccc(Oc3ccc4nccnc4c3)c2)ccc1Cl
Show InChI InChI=1S/C22H14ClF3N4O2/c23-18-6-4-14(11-17(18)22(24,25)26)30-21(31)29-13-2-1-3-15(10-13)32-16-5-7-19-20(12-16)28-9-8-27-19/h1-12H,(H2,29,30,31)
PDB
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US Patent
n/an/a<100n/an/an/an/an/an/a



NeuPharma, Inc.

US Patent


Assay Description
Inhibitory activities of compounds against KDR (VEGFR2) were also measured by Invitrogen using Z'-LYTE Method as described above with the following m...


US Patent US10590106 (2020)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM436180
PNG
(US10590106, Compound C003)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2cccc(Oc3ccc4nccnc4c3)c2)c1
Show InChI InChI=1S/C22H15F3N4O2/c23-22(24,25)14-3-1-4-15(11-14)28-21(30)29-16-5-2-6-17(12-16)31-18-7-8-19-20(13-18)27-10-9-26-19/h1-13H,(H2,28,29,30)
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US Patent
n/an/a<100n/an/an/an/an/an/a



NeuPharma, Inc.

US Patent


Assay Description
Inhibitory activities of compounds against KDR (VEGFR2) were also measured by Invitrogen using Z'-LYTE Method as described above with the following m...


US Patent US10590106 (2020)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM436182
PNG
(US10590106, Compound C069)
Show SMILES COc1ccc(NC(=O)Nc2cccc(Oc3ccc4nccnc4c3)c2)cc1
Show InChI InChI=1S/C22H18N4O3/c1-28-17-7-5-15(6-8-17)25-22(27)26-16-3-2-4-18(13-16)29-19-9-10-20-21(14-19)24-12-11-23-20/h2-14H,1H3,(H2,25,26,27)
PDB
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US Patent
n/an/a<100n/an/an/an/an/an/a



NeuPharma, Inc.

US Patent


Assay Description
Inhibitory activities of compounds against KDR (VEGFR2) were also measured by Invitrogen using Z'-LYTE Method as described above with the following m...


US Patent US10590106 (2020)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM436179
PNG
(US10590106, Compound C009)
Show SMILES Fc1ccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1Oc1ccc2ncc(nc2c1)N1CCOCC1
Show InChI InChI=1S/C26H20ClF4N5O3/c27-19-4-1-15(11-18(19)26(29,30)31)33-25(37)34-16-2-5-20(28)23(12-16)39-17-3-6-21-22(13-17)35-24(14-32-21)36-7-9-38-10-8-36/h1-6,11-14H,7-10H2,(H2,33,34,37)
PDB

GoogleScholar
UniChem
US Patent
n/an/a>100n/an/an/an/an/an/a



NeuPharma, Inc.

US Patent


Assay Description
Inhibitory activities Inhibitory activities of compounds against BRAF, and BRAF V600E were measured by Invitrogen using Z′-LYTEŽ Method as brie...


US Patent US10590106 (2020)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM436181
PNG
(US10590106, Compound C075)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2ccc(Oc3ccc4nccnc4c3)cc2)c1
Show InChI InChI=1S/C22H15F3N4O2/c23-22(24,25)14-2-1-3-16(12-14)29-21(30)28-15-4-6-17(7-5-15)31-18-8-9-19-20(13-18)27-11-10-26-19/h1-13H,(H2,28,29,30)
PDB
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US Patent
n/an/a>100n/an/an/an/an/an/a



NeuPharma, Inc.

US Patent


Assay Description
Inhibitory activities of compounds against KDR (VEGFR2) were also measured by Invitrogen using Z'-LYTE Method as described above with the following m...


US Patent US10590106 (2020)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM436176
PNG
(US10590106, Compound C001)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2cccc(Oc3ccc4nccnc4c3)c2)ccc1Cl
Show InChI InChI=1S/C22H14ClF3N4O2/c23-18-6-4-14(11-17(18)22(24,25)26)30-21(31)29-13-2-1-3-15(10-13)32-16-5-7-19-20(12-16)28-9-8-27-19/h1-12H,(H2,29,30,31)
PDB

GoogleScholar
UniChem
US Patent
n/an/a>100n/an/an/an/an/an/a



NeuPharma, Inc.

US Patent


Assay Description
Inhibitory activities Inhibitory activities of compounds against BRAF, and BRAF V600E were measured by Invitrogen using Z′-LYTEŽ Method as brie...


US Patent US10590106 (2020)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM436180
PNG
(US10590106, Compound C003)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2cccc(Oc3ccc4nccnc4c3)c2)c1
Show InChI InChI=1S/C22H15F3N4O2/c23-22(24,25)14-3-1-4-15(11-14)28-21(30)29-16-5-2-6-17(12-16)31-18-7-8-19-20(13-18)27-10-9-26-19/h1-13H,(H2,28,29,30)
PDB

GoogleScholar
UniChem
US Patent
n/an/a>100n/an/an/an/an/an/a



NeuPharma, Inc.

US Patent


Assay Description
Inhibitory activities Inhibitory activities of compounds against BRAF, and BRAF V600E were measured by Invitrogen using Z′-LYTEŽ Method as brie...


US Patent US10590106 (2020)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM436179
PNG
(US10590106, Compound C009)
Show SMILES Fc1ccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1Oc1ccc2ncc(nc2c1)N1CCOCC1
Show InChI InChI=1S/C26H20ClF4N5O3/c27-19-4-1-15(11-18(19)26(29,30)31)33-25(37)34-16-2-5-20(28)23(12-16)39-17-3-6-21-22(13-17)35-24(14-32-21)36-7-9-38-10-8-36/h1-6,11-14H,7-10H2,(H2,33,34,37)
PDB
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US Patent
n/an/a>100n/an/an/an/an/an/a



NeuPharma, Inc.

US Patent


Assay Description
Inhibitory activities of compounds against KDR (VEGFR2) were also measured by Invitrogen using Z'-LYTE Method as described above with the following m...


US Patent US10590106 (2020)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM436174
PNG
(US10590109, Compound 1)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(Oc2ccc3nccnc3c2)c1
Show InChI InChI=1S/C22H14F3N3O2/c23-22(24,25)15-4-1-3-14(11-15)21(29)28-16-5-2-6-17(12-16)30-18-7-8-19-20(13-18)27-10-9-26-19/h1-13H,(H,28,29)
PDB

GoogleScholar
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



NeuPharma, Inc.

US Patent


Assay Description
Inhibitory activities Inhibitory activities of compounds against BRAF, and BRAF V600E were measured by Invitrogen using Z′-LYTEŽ Method as brie...


US Patent US10590106 (2020)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM436182
PNG
(US10590106, Compound C069)
Show SMILES COc1ccc(NC(=O)Nc2cccc(Oc3ccc4nccnc4c3)c2)cc1
Show InChI InChI=1S/C22H18N4O3/c1-28-17-7-5-15(6-8-17)25-22(27)26-16-3-2-4-18(13-16)29-19-9-10-20-21(14-19)24-12-11-23-20/h2-14H,1H3,(H2,25,26,27)
PDB

GoogleScholar
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



NeuPharma, Inc.

US Patent


Assay Description
Inhibitory activities Inhibitory activities of compounds against BRAF, and BRAF V600E were measured by Invitrogen using Z′-LYTEŽ Method as brie...


US Patent US10590106 (2020)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM436174
PNG
(US10590109, Compound 1)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(Oc2ccc3nccnc3c2)c1
Show InChI InChI=1S/C22H14F3N3O2/c23-22(24,25)15-4-1-3-14(11-15)21(29)28-16-5-2-6-17(12-16)30-18-7-8-19-20(13-18)27-10-9-26-19/h1-13H,(H,28,29)
PDB
MMDB

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US Patent
n/an/a>100n/an/an/an/an/an/a



NeuPharma, Inc.

US Patent


Assay Description
Inhibitory activities of compounds against KDR (VEGFR2) were also measured by Invitrogen using Z'-LYTE Method as described above with the following m...


US Patent US10590106 (2020)

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