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Patent code US9902709

Compile Data Set for Download or QSAR
Found 13 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))
BDBM373143
PNG
(FD-2013015 | US9902709, Compound Example 1)
Show SMILES Cn1cc(cn1)-c1nccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)c1F
Show InChI InChI=1S/C23H16ClF4N5O2/c1-33-12-13(11-30-33)21-20(25)19(8-9-29-21)35-16-5-2-14(3-6-16)31-22(34)32-15-4-7-18(24)17(10-15)23(26,27)28/h2-12H,1H3,(H2,31,32,34)
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n/an/a 28.6n/an/an/an/an/an/a



PEKING UNIVERSITY FOUNDER GROUP CO., LTD.; PKUCARE PHARMACEUTICAL R & D CENTER; PKU HEALTHCARE INDUSTRY GROUP CO., LTD.

US Patent


Assay Description
Kinase Enzymatic step assay Control (10 μL) Sample Negative Positive Compound 4 μL 4 μL 2.5% 4 μL 2.5% DMSO/kinase DMSO/kinase bu...


US Patent US9902709 (2018)

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


(Homo sapiens (Human))
BDBM373144
PNG
(FD-2013018 | US9902709, Compound Example 2)
Show SMILES Cn1cc(cn1)-c1nccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)c1Cl
Show InChI InChI=1S/C23H16Cl2F3N5O2/c1-33-12-13(11-30-33)21-20(25)19(8-9-29-21)35-16-5-2-14(3-6-16)31-22(34)32-15-4-7-18(24)17(10-15)23(26,27)28/h2-12H,1H3,(H2,31,32,34)
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n/an/a 55.5n/an/an/an/an/an/a



PEKING UNIVERSITY FOUNDER GROUP CO., LTD.; PKUCARE PHARMACEUTICAL R & D CENTER; PKU HEALTHCARE INDUSTRY GROUP CO., LTD.

US Patent


Assay Description
Kinase Enzymatic step assay Control (10 μL) Sample Negative Positive Compound 4 μL 4 μL 2.5% 4 μL 2.5% DMSO/kinase DMSO/kinase bu...


US Patent US9902709 (2018)

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


(Homo sapiens (Human))
BDBM373202
PNG
(FD-2013025 | US9902709, Compound Example 4)
Show SMILES Cn1cc(cn1)-c1nccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)c1C#N
Show InChI InChI=1S/C24H16ClF3N6O2/c1-34-13-14(12-31-34)22-18(11-29)21(8-9-30-22)36-17-5-2-15(3-6-17)32-23(35)33-16-4-7-20(25)19(10-16)24(26,27)28/h2-10,12-13H,1H3,(H2,32,33,35)
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n/an/a 68.5n/an/an/an/an/an/a



PEKING UNIVERSITY FOUNDER GROUP CO., LTD.; PKUCARE PHARMACEUTICAL R & D CENTER; PKU HEALTHCARE INDUSTRY GROUP CO., LTD.

US Patent


Assay Description
Kinase Enzymatic step assay Control (10 μL) Sample Negative Positive Compound 4 μL 4 μL 2.5% 4 μL 2.5% DMSO/kinase DMSO/kinase bu...


US Patent US9902709 (2018)

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


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/a 89.6n/an/an/an/an/an/a



PEKING UNIVERSITY FOUNDER GROUP CO., LTD.; PKUCARE PHARMACEUTICAL R & D CENTER; PKU HEALTHCARE INDUSTRY GROUP CO., LTD.

US Patent


Assay Description
Kinase Enzymatic step assay Control (10 μL) Sample Negative Positive Compound 4 μL 4 μL 2.5% 4 μL 2.5% DMSO/kinase DMSO/kinase bu...


US Patent US9902709 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM373275
PNG
(FD-1210005 | US9902709, Comparative example 2)
Show SMILES Cn1cc(cn1)-c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C23H17ClF3N5O2/c1-32-13-14(12-29-32)21-11-18(8-9-28-21)34-17-5-2-15(3-6-17)30-22(33)31-16-4-7-20(24)19(10-16)23(25,26)27/h2-13H,1H3,(H2,30,31,33)
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n/an/a 188n/an/an/an/an/an/a



PEKING UNIVERSITY FOUNDER GROUP CO., LTD.; PKUCARE PHARMACEUTICAL R & D CENTER; PKU HEALTHCARE INDUSTRY GROUP CO., LTD.

US Patent


Assay Description
Kinase Enzymatic step assay Control (10 μL) Sample Negative Positive Compound 4 μL 4 μL 2.5% 4 μL 2.5% DMSO/kinase DMSO/kinase bu...


US Patent US9902709 (2018)

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


(Homo sapiens (Human))
BDBM373262
PNG
(FD-2013031 | US9902709, Compound Example 6)
Show SMILES Cn1cc(cn1)-c1nccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)c1N
Show InChI InChI=1S/C23H18ClF3N6O2/c1-33-12-13(11-30-33)21-20(28)19(8-9-29-21)35-16-5-2-14(3-6-16)31-22(34)32-15-4-7-18(24)17(10-15)23(25,26)27/h2-12H,28H2,1H3,(H2,31,32,34)
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n/an/a 215n/an/an/an/an/an/a



PEKING UNIVERSITY FOUNDER GROUP CO., LTD.; PKUCARE PHARMACEUTICAL R & D CENTER; PKU HEALTHCARE INDUSTRY GROUP CO., LTD.

US Patent


Assay Description
Kinase Enzymatic step assay Control (10 μL) Sample Negative Positive Compound 4 μL 4 μL 2.5% 4 μL 2.5% DMSO/kinase DMSO/kinase bu...


US Patent US9902709 (2018)

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


(Homo sapiens (Human))
BDBM373150
PNG
(FD-2013024 | US9902709, Compound Example 3)
Show SMILES Cn1cc(cn1)-c1nccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)c1Cl
Show InChI InChI=1S/C23H15Cl2F4N5O2/c1-34-11-12(10-31-34)21-20(25)19(6-7-30-21)36-14-3-5-18(17(26)9-14)33-22(35)32-13-2-4-16(24)15(8-13)23(27,28)29/h2-11H,1H3,(H2,32,33,35)
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n/an/a 222n/an/an/an/an/an/a



PEKING UNIVERSITY FOUNDER GROUP CO., LTD.; PKUCARE PHARMACEUTICAL R & D CENTER; PKU HEALTHCARE INDUSTRY GROUP CO., LTD.

US Patent


Assay Description
Kinase Enzymatic step assay Control (10 μL) Sample Negative Positive Compound 4 μL 4 μL 2.5% 4 μL 2.5% DMSO/kinase DMSO/kinase bu...


US Patent US9902709 (2018)

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


(Homo sapiens (Human))
BDBM373261
PNG
(FD-2013027 | US9902709, Compound Example 5)
Show SMILES Cc1c(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccnc1-c1cnn(C)c1
Show InChI InChI=1S/C24H19ClF3N5O2/c1-14-21(9-10-29-22(14)15-12-30-33(2)13-15)35-18-6-3-16(4-7-18)31-23(34)32-17-5-8-20(25)19(11-17)24(26,27)28/h3-13H,1-2H3,(H2,31,32,34)
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n/an/a 317n/an/an/an/an/an/a



PEKING UNIVERSITY FOUNDER GROUP CO., LTD.; PKUCARE PHARMACEUTICAL R & D CENTER; PKU HEALTHCARE INDUSTRY GROUP CO., LTD.

US Patent


Assay Description
Kinase Enzymatic step assay Control (10 μL) Sample Negative Positive Compound 4 μL 4 μL 2.5% 4 μL 2.5% DMSO/kinase DMSO/kinase bu...


US Patent US9902709 (2018)

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


(Homo sapiens (Human))
BDBM373273
PNG
(FD-2013037 | US9902709, Compound Example 8)
Show SMILES COc1c(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccnc1-c1cnn(C)c1
Show InChI InChI=1S/C24H19ClF3N5O3/c1-33-13-14(12-30-33)21-22(35-2)20(9-10-29-21)36-17-6-3-15(4-7-17)31-23(34)32-16-5-8-19(25)18(11-16)24(26,27)28/h3-13H,1-2H3,(H2,31,32,34)
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n/an/a 417n/an/an/an/an/an/a



PEKING UNIVERSITY FOUNDER GROUP CO., LTD.; PKUCARE PHARMACEUTICAL R & D CENTER; PKU HEALTHCARE INDUSTRY GROUP CO., LTD.

US Patent


Assay Description
Kinase Enzymatic step assay Control (10 μL) Sample Negative Positive Compound 4 μL 4 μL 2.5% 4 μL 2.5% DMSO/kinase DMSO/kinase bu...


US Patent US9902709 (2018)

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


(Homo sapiens (Human))
BDBM373516
PNG
(FD-2013016 | US9902709, Comparative example 3)
Show SMILES Cn1cc(cn1)-c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)c(F)cn1
Show InChI InChI=1S/C23H16ClF4N5O2/c1-33-12-13(10-30-33)20-9-21(19(25)11-29-20)35-16-5-2-14(3-6-16)31-22(34)32-15-4-7-18(24)17(8-15)23(26,27)28/h2-12H,1H3,(H2,31,32,34)
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n/an/a 437n/an/an/an/an/an/a



PEKING UNIVERSITY FOUNDER GROUP CO., LTD.; PKUCARE PHARMACEUTICAL R & D CENTER; PKU HEALTHCARE INDUSTRY GROUP CO., LTD.

US Patent


Assay Description
Kinase Enzymatic step assay Control (10 μL) Sample Negative Positive Compound 4 μL 4 μL 2.5% 4 μL 2.5% DMSO/kinase DMSO/kinase bu...


US Patent US9902709 (2018)

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


(Homo sapiens (Human))
BDBM373272
PNG
(FD-2013033 | US9902709, Compound Example 7)
Show SMILES CNc1c(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccnc1-c1cnn(C)c1
Show InChI InChI=1S/C24H20ClF3N6O2/c1-29-22-20(9-10-30-21(22)14-12-31-34(2)13-14)36-17-6-3-15(4-7-17)32-23(35)33-16-5-8-19(25)18(11-16)24(26,27)28/h3-13,29H,1-2H3,(H2,32,33,35)
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n/an/a 656n/an/an/an/an/an/a



PEKING UNIVERSITY FOUNDER GROUP CO., LTD.; PKUCARE PHARMACEUTICAL R & D CENTER; PKU HEALTHCARE INDUSTRY GROUP CO., LTD.

US Patent


Assay Description
Kinase Enzymatic step assay Control (10 μL) Sample Negative Positive Compound 4 μL 4 μL 2.5% 4 μL 2.5% DMSO/kinase DMSO/kinase bu...


US Patent US9902709 (2018)

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


(Homo sapiens (Human))
BDBM373518
PNG
(FD-2013017 | US9902709, Comparative example 5)
Show SMILES COc1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)cc(n1)-c1cnn(C)c1
Show InChI InChI=1S/C24H19ClF3N5O3/c1-33-13-14(12-29-33)21-10-18(11-22(32-21)35-2)36-17-6-3-15(4-7-17)30-23(34)31-16-5-8-20(25)19(9-16)24(26,27)28/h3-13H,1-2H3,(H2,30,31,34)
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n/an/a 2.39E+3n/an/an/an/an/an/a



PEKING UNIVERSITY FOUNDER GROUP CO., LTD.; PKUCARE PHARMACEUTICAL R & D CENTER; PKU HEALTHCARE INDUSTRY GROUP CO., LTD.

US Patent


Assay Description
Kinase Enzymatic step assay Control (10 μL) Sample Negative Positive Compound 4 μL 4 μL 2.5% 4 μL 2.5% DMSO/kinase DMSO/kinase bu...


US Patent US9902709 (2018)

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


(Homo sapiens (Human))
BDBM373517
PNG
(FD-2013019 | US9902709, Comparative example 4)
Show SMILES Cn1cc(cn1)-c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)c(Cl)cn1
Show InChI InChI=1S/C23H16Cl2F3N5O2/c1-33-12-13(10-30-33)20-9-21(19(25)11-29-20)35-16-5-2-14(3-6-16)31-22(34)32-15-4-7-18(24)17(8-15)23(26,27)28/h2-12H,1H3,(H2,31,32,34)
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n/an/a 2.05E+4n/an/an/an/an/an/a



PEKING UNIVERSITY FOUNDER GROUP CO., LTD.; PKUCARE PHARMACEUTICAL R & D CENTER; PKU HEALTHCARE INDUSTRY GROUP CO., LTD.

US Patent


Assay Description
Kinase Enzymatic step assay Control (10 μL) Sample Negative Positive Compound 4 μL 4 μL 2.5% 4 μL 2.5% DMSO/kinase DMSO/kinase bu...


US Patent US9902709 (2018)

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