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Patent code US9446026

Compile Data Set for Download or QSAR
Found 20 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
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM25115
PNG
(3-[(4-bromo-2,6-difluorophenyl)methoxy]-5-({[4-(py...)
Show SMILES NC(=O)c1c(NC(=O)NCCCCN2CCCC2)snc1OCc1c(F)cc(Br)cc1F
Show InChI InChI=1S/C20H24BrF2N5O3S/c21-12-9-14(22)13(15(23)10-12)11-31-18-16(17(24)29)19(32-27-18)26-20(30)25-5-1-2-6-28-7-3-4-8-28/h9-10H,1-8,11H2,(H2,24,29)(H2,25,26,30)
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n/an/a 1.27n/an/an/an/an/an/a



PanOptica, Inc.

US Patent


Assay Description
In Vitro Inhibition of Tyrosine Kinases using a 10-point Titration Curve.


Citation and Details
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (human))
BDBM25115
PNG
(3-[(4-bromo-2,6-difluorophenyl)methoxy]-5-({[4-(py...)
Show SMILES NC(=O)c1c(NC(=O)NCCCCN2CCCC2)snc1OCc1c(F)cc(Br)cc1F
Show InChI InChI=1S/C20H24BrF2N5O3S/c21-12-9-14(22)13(15(23)10-12)11-31-18-16(17(24)29)19(32-27-18)26-20(30)25-5-1-2-6-28-7-3-4-8-28/h9-10H,1-8,11H2,(H2,24,29)(H2,25,26,30)
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n/an/a 3.08n/an/an/an/an/an/a



PanOptica, Inc.

US Patent


Assay Description
In Vitro Inhibition of Tyrosine Kinases using a 10-point Titration Curve.


Citation and Details
More data for this
Ligand-Target Pair
Vascular endothelial growth factor A


(Homo sapiens (Human))
BDBM25115
PNG
(3-[(4-bromo-2,6-difluorophenyl)methoxy]-5-({[4-(py...)
Show SMILES NC(=O)c1c(NC(=O)NCCCCN2CCCC2)snc1OCc1c(F)cc(Br)cc1F
Show InChI InChI=1S/C20H24BrF2N5O3S/c21-12-9-14(22)13(15(23)10-12)11-31-18-16(17(24)29)19(32-27-18)26-20(30)25-5-1-2-6-28-7-3-4-8-28/h9-10H,1-8,11H2,(H2,24,29)(H2,25,26,30)
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n/an/a 5.27n/an/an/an/an/an/a



PanOptica, Inc.

US Patent


Assay Description
Inhibition of VEGF-stimulated VEGFR-2 autophosphorylation in intact cells.


Citation and Details
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (human))
BDBM25115
PNG
(3-[(4-bromo-2,6-difluorophenyl)methoxy]-5-({[4-(py...)
Show SMILES NC(=O)c1c(NC(=O)NCCCCN2CCCC2)snc1OCc1c(F)cc(Br)cc1F
Show InChI InChI=1S/C20H24BrF2N5O3S/c21-12-9-14(22)13(15(23)10-12)11-31-18-16(17(24)29)19(32-27-18)26-20(30)25-5-1-2-6-28-7-3-4-8-28/h9-10H,1-8,11H2,(H2,24,29)(H2,25,26,30)
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n/an/a 8.5n/an/an/an/an/an/a



PanOptica, Inc.

US Patent


Assay Description
In Vitro Inhibition of Tyrosine Kinases using a 10-point Titration Curve.


Citation and Details
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (human))
BDBM25115
PNG
(3-[(4-bromo-2,6-difluorophenyl)methoxy]-5-({[4-(py...)
Show SMILES NC(=O)c1c(NC(=O)NCCCCN2CCCC2)snc1OCc1c(F)cc(Br)cc1F
Show InChI InChI=1S/C20H24BrF2N5O3S/c21-12-9-14(22)13(15(23)10-12)11-31-18-16(17(24)29)19(32-27-18)26-20(30)25-5-1-2-6-28-7-3-4-8-28/h9-10H,1-8,11H2,(H2,24,29)(H2,25,26,30)
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n/an/a 8.79n/an/an/an/an/an/a



PanOptica, Inc.

US Patent


Assay Description
Inhibition of recombinant FGFR-2 tyrosine kinase using exogenous substrate.


Citation and Details
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (human))
BDBM25115
PNG
(3-[(4-bromo-2,6-difluorophenyl)methoxy]-5-({[4-(py...)
Show SMILES NC(=O)c1c(NC(=O)NCCCCN2CCCC2)snc1OCc1c(F)cc(Br)cc1F
Show InChI InChI=1S/C20H24BrF2N5O3S/c21-12-9-14(22)13(15(23)10-12)11-31-18-16(17(24)29)19(32-27-18)26-20(30)25-5-1-2-6-28-7-3-4-8-28/h9-10H,1-8,11H2,(H2,24,29)(H2,25,26,30)
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n/an/a 10.1n/an/an/an/an/an/a



PanOptica, Inc.

US Patent


Assay Description
In Vitro Inhibition of Tyrosine Kinases using a 10-point Titration Curve.


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


(Homo sapiens (human))
BDBM25115
PNG
(3-[(4-bromo-2,6-difluorophenyl)methoxy]-5-({[4-(py...)
Show SMILES NC(=O)c1c(NC(=O)NCCCCN2CCCC2)snc1OCc1c(F)cc(Br)cc1F
Show InChI InChI=1S/C20H24BrF2N5O3S/c21-12-9-14(22)13(15(23)10-12)11-31-18-16(17(24)29)19(32-27-18)26-20(30)25-5-1-2-6-28-7-3-4-8-28/h9-10H,1-8,11H2,(H2,24,29)(H2,25,26,30)
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n/an/a 10.6n/an/an/an/an/an/a



PanOptica, Inc.

US Patent


Assay Description
Inhibition of recombinant VEGFR-2 tyrosine kinase using exogenous substrate.


Citation and Details
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Re


(Homo sapiens (Human))
BDBM25115
PNG
(3-[(4-bromo-2,6-difluorophenyl)methoxy]-5-({[4-(py...)
Show SMILES NC(=O)c1c(NC(=O)NCCCCN2CCCC2)snc1OCc1c(F)cc(Br)cc1F
Show InChI InChI=1S/C20H24BrF2N5O3S/c21-12-9-14(22)13(15(23)10-12)11-31-18-16(17(24)29)19(32-27-18)26-20(30)25-5-1-2-6-28-7-3-4-8-28/h9-10H,1-8,11H2,(H2,24,29)(H2,25,26,30)
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n/an/a 11.1n/an/an/an/an/an/a



PanOptica, Inc.

US Patent


Assay Description
In Vitro Inhibition of Tyrosine Kinases using a 10-point Titration Curve.


Citation and Details
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM25115
PNG
(3-[(4-bromo-2,6-difluorophenyl)methoxy]-5-({[4-(py...)
Show SMILES NC(=O)c1c(NC(=O)NCCCCN2CCCC2)snc1OCc1c(F)cc(Br)cc1F
Show InChI InChI=1S/C20H24BrF2N5O3S/c21-12-9-14(22)13(15(23)10-12)11-31-18-16(17(24)29)19(32-27-18)26-20(30)25-5-1-2-6-28-7-3-4-8-28/h9-10H,1-8,11H2,(H2,24,29)(H2,25,26,30)
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n/an/a 33.9n/an/an/an/an/an/a



PanOptica, Inc.

US Patent


Assay Description
In Vitro Inhibition of Tyrosine Kinases using a 10-point Titration Curve.


Citation and Details
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM25115
PNG
(3-[(4-bromo-2,6-difluorophenyl)methoxy]-5-({[4-(py...)
Show SMILES NC(=O)c1c(NC(=O)NCCCCN2CCCC2)snc1OCc1c(F)cc(Br)cc1F
Show InChI InChI=1S/C20H24BrF2N5O3S/c21-12-9-14(22)13(15(23)10-12)11-31-18-16(17(24)29)19(32-27-18)26-20(30)25-5-1-2-6-28-7-3-4-8-28/h9-10H,1-8,11H2,(H2,24,29)(H2,25,26,30)
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n/an/a 54.2n/an/an/an/an/an/a



PanOptica, Inc.

US Patent


Assay Description
In Vitro Inhibition of Tyrosine Kinases using a 10-point Titration Curve.


Citation and Details
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM25115
PNG
(3-[(4-bromo-2,6-difluorophenyl)methoxy]-5-({[4-(py...)
Show SMILES NC(=O)c1c(NC(=O)NCCCCN2CCCC2)snc1OCc1c(F)cc(Br)cc1F
Show InChI InChI=1S/C20H24BrF2N5O3S/c21-12-9-14(22)13(15(23)10-12)11-31-18-16(17(24)29)19(32-27-18)26-20(30)25-5-1-2-6-28-7-3-4-8-28/h9-10H,1-8,11H2,(H2,24,29)(H2,25,26,30)
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n/an/a 122n/an/an/an/an/an/a



PanOptica, Inc.

US Patent


Assay Description
In Vitro Inhibition of Tyrosine Kinases using a 10-point Titration Curve.


Citation and Details
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM25115
PNG
(3-[(4-bromo-2,6-difluorophenyl)methoxy]-5-({[4-(py...)
Show SMILES NC(=O)c1c(NC(=O)NCCCCN2CCCC2)snc1OCc1c(F)cc(Br)cc1F
Show InChI InChI=1S/C20H24BrF2N5O3S/c21-12-9-14(22)13(15(23)10-12)11-31-18-16(17(24)29)19(32-27-18)26-20(30)25-5-1-2-6-28-7-3-4-8-28/h9-10H,1-8,11H2,(H2,24,29)(H2,25,26,30)
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n/an/a 161n/an/an/an/an/an/a



PanOptica, Inc.

US Patent


Assay Description
In Vitro Inhibition of Tyrosine Kinases using a 10-point Titration Curve.


Citation and Details
More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM25115
PNG
(3-[(4-bromo-2,6-difluorophenyl)methoxy]-5-({[4-(py...)
Show SMILES NC(=O)c1c(NC(=O)NCCCCN2CCCC2)snc1OCc1c(F)cc(Br)cc1F
Show InChI InChI=1S/C20H24BrF2N5O3S/c21-12-9-14(22)13(15(23)10-12)11-31-18-16(17(24)29)19(32-27-18)26-20(30)25-5-1-2-6-28-7-3-4-8-28/h9-10H,1-8,11H2,(H2,24,29)(H2,25,26,30)
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n/an/a 207n/an/an/an/an/an/a



PanOptica, Inc.

US Patent


Assay Description
In Vitro Inhibition of Tyrosine Kinases using a 10-point Titration Curve.


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM25115
PNG
(3-[(4-bromo-2,6-difluorophenyl)methoxy]-5-({[4-(py...)
Show SMILES NC(=O)c1c(NC(=O)NCCCCN2CCCC2)snc1OCc1c(F)cc(Br)cc1F
Show InChI InChI=1S/C20H24BrF2N5O3S/c21-12-9-14(22)13(15(23)10-12)11-31-18-16(17(24)29)19(32-27-18)26-20(30)25-5-1-2-6-28-7-3-4-8-28/h9-10H,1-8,11H2,(H2,24,29)(H2,25,26,30)
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n/an/a 419n/an/an/an/an/an/a



PanOptica, Inc.

US Patent


Assay Description
In Vitro Inhibition of Tyrosine Kinases using a 10-point Titration Curve.


Citation and Details
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM25115
PNG
(3-[(4-bromo-2,6-difluorophenyl)methoxy]-5-({[4-(py...)
Show SMILES NC(=O)c1c(NC(=O)NCCCCN2CCCC2)snc1OCc1c(F)cc(Br)cc1F
Show InChI InChI=1S/C20H24BrF2N5O3S/c21-12-9-14(22)13(15(23)10-12)11-31-18-16(17(24)29)19(32-27-18)26-20(30)25-5-1-2-6-28-7-3-4-8-28/h9-10H,1-8,11H2,(H2,24,29)(H2,25,26,30)
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n/an/a 500n/an/an/an/an/an/a



PanOptica, Inc.

US Patent


Assay Description
In Vitro Inhibition of Tyrosine Kinases using a 10-point Titration Curve.


Citation and Details
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (human))
BDBM25115
PNG
(3-[(4-bromo-2,6-difluorophenyl)methoxy]-5-({[4-(py...)
Show SMILES NC(=O)c1c(NC(=O)NCCCCN2CCCC2)snc1OCc1c(F)cc(Br)cc1F
Show InChI InChI=1S/C20H24BrF2N5O3S/c21-12-9-14(22)13(15(23)10-12)11-31-18-16(17(24)29)19(32-27-18)26-20(30)25-5-1-2-6-28-7-3-4-8-28/h9-10H,1-8,11H2,(H2,24,29)(H2,25,26,30)
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n/an/a 1.86E+3n/an/an/an/an/an/a



PanOptica, Inc.

US Patent


Assay Description
In Vitro Inhibition of Tyrosine Kinases using a 10-point Titration Curve.


Citation and Details
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (human))
BDBM25115
PNG
(3-[(4-bromo-2,6-difluorophenyl)methoxy]-5-({[4-(py...)
Show SMILES NC(=O)c1c(NC(=O)NCCCCN2CCCC2)snc1OCc1c(F)cc(Br)cc1F
Show InChI InChI=1S/C20H24BrF2N5O3S/c21-12-9-14(22)13(15(23)10-12)11-31-18-16(17(24)29)19(32-27-18)26-20(30)25-5-1-2-6-28-7-3-4-8-28/h9-10H,1-8,11H2,(H2,24,29)(H2,25,26,30)
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n/an/a 2.64E+3n/an/an/an/an/an/a



PanOptica, Inc.

US Patent


Assay Description
Inhibition of recombinant PDGFR tyrosine kinase using exogenous substrate.


Citation and Details
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM25115
PNG
(3-[(4-bromo-2,6-difluorophenyl)methoxy]-5-({[4-(py...)
Show SMILES NC(=O)c1c(NC(=O)NCCCCN2CCCC2)snc1OCc1c(F)cc(Br)cc1F
Show InChI InChI=1S/C20H24BrF2N5O3S/c21-12-9-14(22)13(15(23)10-12)11-31-18-16(17(24)29)19(32-27-18)26-20(30)25-5-1-2-6-28-7-3-4-8-28/h9-10H,1-8,11H2,(H2,24,29)(H2,25,26,30)
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n/an/a 3.12E+3n/an/an/an/an/an/a



PanOptica, Inc.

US Patent


Assay Description
In Vitro Inhibition of Tyrosine Kinases using a 10-point Titration Curve.


Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM25115
PNG
(3-[(4-bromo-2,6-difluorophenyl)methoxy]-5-({[4-(py...)
Show SMILES NC(=O)c1c(NC(=O)NCCCCN2CCCC2)snc1OCc1c(F)cc(Br)cc1F
Show InChI InChI=1S/C20H24BrF2N5O3S/c21-12-9-14(22)13(15(23)10-12)11-31-18-16(17(24)29)19(32-27-18)26-20(30)25-5-1-2-6-28-7-3-4-8-28/h9-10H,1-8,11H2,(H2,24,29)(H2,25,26,30)
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n/an/a 5.85E+3n/an/an/an/an/an/a



PanOptica, Inc.

US Patent


Assay Description
Inhibition of recombinant EGFR tyrosine kinase using exogenous substrate.


Citation and Details
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM25115
PNG
(3-[(4-bromo-2,6-difluorophenyl)methoxy]-5-({[4-(py...)
Show SMILES NC(=O)c1c(NC(=O)NCCCCN2CCCC2)snc1OCc1c(F)cc(Br)cc1F
Show InChI InChI=1S/C20H24BrF2N5O3S/c21-12-9-14(22)13(15(23)10-12)11-31-18-16(17(24)29)19(32-27-18)26-20(30)25-5-1-2-6-28-7-3-4-8-28/h9-10H,1-8,11H2,(H2,24,29)(H2,25,26,30)
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US Patent
n/an/a 1.03E+4n/an/an/an/an/an/a



PanOptica, Inc.

US Patent


Assay Description
Inhibition of recombinant IR tyrosine kinase using exogenous substrate.


Citation and Details
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Ligand-Target Pair
* indicates data uncertainty>20%