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Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with Target = 'VEGFR kinase (KDR)' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
VEGFR kinase (KDR)


(Homo sapiens (Human))
BDBM205994
PNG
(US9255096, 14)
Show SMILES CCc1cccc(NC(=O)c2cccc(c2)N2CCc3c(C2)cnc2ccsc32)c1
Show InChI InChI=1S/C25H23N3OS/c1-2-17-5-3-7-20(13-17)27-25(29)18-6-4-8-21(14-18)28-11-9-22-19(16-28)15-26-23-10-12-30-24(22)23/h3-8,10,12-15H,2,9,11,16H2,1H3,(H,27,29)
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n/an/a 5n/an/an/an/an/an/a



Allergan, Inc.

US Patent


Assay Description
Biochemical KDR kinase assays were performed in 96 well microtiter plates that were coated overnight with 75 ug/well of poly-Glu-Tyr (4:1) in 10 mM P...


US Patent US9255096 (2016)

More data for this
Ligand-Target Pair
VEGFR kinase (KDR)


(Homo sapiens (Human))
BDBM205988
PNG
(US9255096, 4)
Show SMILES CCc1cccc(NC(=O)c2cccc(c2)N2CCc3c(C2)cnc2ccccc32)c1
Show InChI InChI=1S/C27H25N3O/c1-2-19-7-5-9-22(15-19)29-27(31)20-8-6-10-23(16-20)30-14-13-24-21(18-30)17-28-26-12-4-3-11-25(24)26/h3-12,15-17H,2,13-14,18H2,1H3,(H,29,31)
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Allergan, Inc.

US Patent


Assay Description
Biochemical KDR kinase assays were performed in 96 well microtiter plates that were coated overnight with 75 ug/well of poly-Glu-Tyr (4:1) in 10 mM P...


US Patent US9255096 (2016)

More data for this
Ligand-Target Pair
VEGFR kinase (KDR)


(Homo sapiens (Human))
BDBM205987
PNG
(US9255096, 3)
Show SMILES Cc1cccc(NC(=O)c2cccc(c2)N2CCc3c(C2)cnc2ccccc32)c1
Show InChI InChI=1S/C26H23N3O/c1-18-6-4-8-21(14-18)28-26(30)19-7-5-9-22(15-19)29-13-12-23-20(17-29)16-27-25-11-3-2-10-24(23)25/h2-11,14-16H,12-13,17H2,1H3,(H,28,30)
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Allergan, Inc.

US Patent


Assay Description
Biochemical KDR kinase assays were performed in 96 well microtiter plates that were coated overnight with 75 ug/well of poly-Glu-Tyr (4:1) in 10 mM P...


US Patent US9255096 (2016)

More data for this
Ligand-Target Pair
VEGFR kinase (KDR)


(Homo sapiens (Human))
BDBM205989
PNG
(US9255096, 5)
Show SMILES CC(C)c1cccc(NC(=O)c2cccc(c2)N2CCc3c(C2)cnc2ccccc32)c1
Show InChI InChI=1S/C28H27N3O/c1-19(2)20-7-5-9-23(15-20)30-28(32)21-8-6-10-24(16-21)31-14-13-25-22(18-31)17-29-27-12-4-3-11-26(25)27/h3-12,15-17,19H,13-14,18H2,1-2H3,(H,30,32)
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Allergan, Inc.

US Patent


Assay Description
Biochemical KDR kinase assays were performed in 96 well microtiter plates that were coated overnight with 75 ug/well of poly-Glu-Tyr (4:1) in 10 mM P...


US Patent US9255096 (2016)

More data for this
Ligand-Target Pair
VEGFR kinase (KDR)


(Homo sapiens (Human))
BDBM205992
PNG
(US9255096, 10)
Show SMILES CC(C)c1cccc(NC(=O)c2cccc(c2)N2CCc3c(C2)cnc2cc(CO)c(CO)cc32)c1
Show InChI InChI=1S/C30H31N3O3/c1-19(2)20-5-3-7-25(11-20)32-30(36)21-6-4-8-26(12-21)33-10-9-27-24(16-33)15-31-29-14-23(18-35)22(17-34)13-28(27)29/h3-8,11-15,19,34-35H,9-10,16-18H2,1-2H3,(H,32,36)
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Allergan, Inc.

US Patent


Assay Description
Biochemical KDR kinase assays were performed in 96 well microtiter plates that were coated overnight with 75 ug/well of poly-Glu-Tyr (4:1) in 10 mM P...


US Patent US9255096 (2016)

More data for this
Ligand-Target Pair
VEGFR kinase (KDR)


(Homo sapiens (Human))
BDBM205990
PNG
(US9255096, 6)
Show SMILES CC(C)c1ccc(NC(=O)c2cccc(c2)N2CCc3c(C2)cnc2ccccc32)cc1
Show InChI InChI=1S/C28H27N3O/c1-19(2)20-10-12-23(13-11-20)30-28(32)21-6-5-7-24(16-21)31-15-14-25-22(18-31)17-29-27-9-4-3-8-26(25)27/h3-13,16-17,19H,14-15,18H2,1-2H3,(H,30,32)
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Allergan, Inc.

US Patent


Assay Description
Biochemical KDR kinase assays were performed in 96 well microtiter plates that were coated overnight with 75 ug/well of poly-Glu-Tyr (4:1) in 10 mM P...


US Patent US9255096 (2016)

More data for this
Ligand-Target Pair
VEGFR kinase (KDR)


(Homo sapiens (Human))
BDBM205993
PNG
(US9255096, 11)
Show SMILES CC(C)c1ccc(NC(=O)c2cccc(c2)N2CCc3c(C2)cnc2cc(CO)c(CO)cc32)cc1
Show InChI InChI=1S/C30H31N3O3/c1-19(2)20-6-8-25(9-7-20)32-30(36)21-4-3-5-26(12-21)33-11-10-27-24(16-33)15-31-29-14-23(18-35)22(17-34)13-28(27)29/h3-9,12-15,19,34-35H,10-11,16-18H2,1-2H3,(H,32,36)
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Allergan, Inc.

US Patent


Assay Description
Biochemical KDR kinase assays were performed in 96 well microtiter plates that were coated overnight with 75 ug/well of poly-Glu-Tyr (4:1) in 10 mM P...


US Patent US9255096 (2016)

More data for this
Ligand-Target Pair
VEGFR kinase (KDR)


(Homo sapiens (Human))
BDBM205991
PNG
(US9255096, 7)
Show SMILES FC(F)(F)c1cccc(NC(=O)c2cccc(c2)N2CCc3c(C2)cnc2ccccc32)c1
Show InChI InChI=1S/C26H20F3N3O/c27-26(28,29)19-6-4-7-20(14-19)31-25(33)17-5-3-8-21(13-17)32-12-11-22-18(16-32)15-30-24-10-2-1-9-23(22)24/h1-10,13-15H,11-12,16H2,(H,31,33)
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Allergan, Inc.

US Patent


Assay Description
Biochemical KDR kinase assays were performed in 96 well microtiter plates that were coated overnight with 75 ug/well of poly-Glu-Tyr (4:1) in 10 mM P...


US Patent US9255096 (2016)

More data for this
Ligand-Target Pair
VEGFR kinase (KDR)


(Homo sapiens (Human))
BDBM205994
PNG
(US9255096, 14)
Show SMILES CCc1cccc(NC(=O)c2cccc(c2)N2CCc3c(C2)cnc2ccsc32)c1
Show InChI InChI=1S/C25H23N3OS/c1-2-17-5-3-7-20(13-17)27-25(29)18-6-4-8-21(14-18)28-11-9-22-19(16-28)15-26-23-10-12-30-24(22)23/h3-8,10,12-15H,2,9,11,16H2,1H3,(H,27,29)
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Allergan, Inc.

US Patent


Assay Description
Biochemical KDR kinase assays were performed in 96 well microtiter plates that were coated overnight with 75 ug/well of poly-Glu-Tyr (4:1) in 10 mM...


US Patent US9255096 (2016)

More data for this
Ligand-Target Pair
VEGFR kinase (KDR)


(Homo sapiens (Human))
BDBM205988
PNG
(US9255096, 4)
Show SMILES CCc1cccc(NC(=O)c2cccc(c2)N2CCc3c(C2)cnc2ccccc32)c1
Show InChI InChI=1S/C27H25N3O/c1-2-19-7-5-9-22(15-19)29-27(31)20-8-6-10-23(16-20)30-14-13-24-21(18-30)17-28-26-12-4-3-11-25(24)26/h3-12,15-17H,2,13-14,18H2,1H3,(H,29,31)
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Allergan, Inc.

US Patent


Assay Description
Biochemical KDR kinase assays were performed in 96 well microtiter plates that were coated overnight with 75 ug/well of poly-Glu-Tyr (4:1) in 10 mM...


US Patent US9255096 (2016)

More data for this
Ligand-Target Pair
VEGFR kinase (KDR)


(Homo sapiens (Human))
BDBM205993
PNG
(US9255096, 11)
Show SMILES CC(C)c1ccc(NC(=O)c2cccc(c2)N2CCc3c(C2)cnc2cc(CO)c(CO)cc32)cc1
Show InChI InChI=1S/C30H31N3O3/c1-19(2)20-6-8-25(9-7-20)32-30(36)21-4-3-5-26(12-21)33-11-10-27-24(16-33)15-31-29-14-23(18-35)22(17-34)13-28(27)29/h3-9,12-15,19,34-35H,10-11,16-18H2,1-2H3,(H,32,36)
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Allergan, Inc.

US Patent


Assay Description
Biochemical KDR kinase assays were performed in 96 well microtiter plates that were coated overnight with 75 ug/well of poly-Glu-Tyr (4:1) in 10 mM...


US Patent US9255096 (2016)

More data for this
Ligand-Target Pair
VEGFR kinase (KDR)


(Homo sapiens (Human))
BDBM205987
PNG
(US9255096, 3)
Show SMILES Cc1cccc(NC(=O)c2cccc(c2)N2CCc3c(C2)cnc2ccccc32)c1
Show InChI InChI=1S/C26H23N3O/c1-18-6-4-8-21(14-18)28-26(30)19-7-5-9-22(15-19)29-13-12-23-20(17-29)16-27-25-11-3-2-10-24(23)25/h2-11,14-16H,12-13,17H2,1H3,(H,28,30)
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Allergan, Inc.

US Patent


Assay Description
Biochemical KDR kinase assays were performed in 96 well microtiter plates that were coated overnight with 75 ug/well of poly-Glu-Tyr (4:1) in 10 mM...


US Patent US9255096 (2016)

More data for this
Ligand-Target Pair
VEGFR kinase (KDR)


(Homo sapiens (Human))
BDBM205989
PNG
(US9255096, 5)
Show SMILES CC(C)c1cccc(NC(=O)c2cccc(c2)N2CCc3c(C2)cnc2ccccc32)c1
Show InChI InChI=1S/C28H27N3O/c1-19(2)20-7-5-9-23(15-20)30-28(32)21-8-6-10-24(16-21)31-14-13-25-22(18-31)17-29-27-12-4-3-11-26(25)27/h3-12,15-17,19H,13-14,18H2,1-2H3,(H,30,32)
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Allergan, Inc.

US Patent


Assay Description
Biochemical KDR kinase assays were performed in 96 well microtiter plates that were coated overnight with 75 ug/well of poly-Glu-Tyr (4:1) in 10 mM...


US Patent US9255096 (2016)

More data for this
Ligand-Target Pair
VEGFR kinase (KDR)


(Homo sapiens (Human))
BDBM205991
PNG
(US9255096, 7)
Show SMILES FC(F)(F)c1cccc(NC(=O)c2cccc(c2)N2CCc3c(C2)cnc2ccccc32)c1
Show InChI InChI=1S/C26H20F3N3O/c27-26(28,29)19-6-4-7-20(14-19)31-25(33)17-5-3-8-21(13-17)32-12-11-22-18(16-32)15-30-24-10-2-1-9-23(22)24/h1-10,13-15H,11-12,16H2,(H,31,33)
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Allergan, Inc.

US Patent


Assay Description
Biochemical KDR kinase assays were performed in 96 well microtiter plates that were coated overnight with 75 ug/well of poly-Glu-Tyr (4:1) in 10 mM...


US Patent US9255096 (2016)

More data for this
Ligand-Target Pair
VEGFR kinase (KDR)


(Homo sapiens (Human))
BDBM205990
PNG
(US9255096, 6)
Show SMILES CC(C)c1ccc(NC(=O)c2cccc(c2)N2CCc3c(C2)cnc2ccccc32)cc1
Show InChI InChI=1S/C28H27N3O/c1-19(2)20-10-12-23(13-11-20)30-28(32)21-6-5-7-24(16-21)31-15-14-25-22(18-31)17-29-27-9-4-3-8-26(25)27/h3-13,16-17,19H,14-15,18H2,1-2H3,(H,30,32)
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Allergan, Inc.

US Patent


Assay Description
Biochemical KDR kinase assays were performed in 96 well microtiter plates that were coated overnight with 75 ug/well of poly-Glu-Tyr (4:1) in 10 mM...


US Patent US9255096 (2016)

More data for this
Ligand-Target Pair
VEGFR kinase (KDR)


(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 100n/an/an/an/an/an/a



Bharati Vidyapeeth's College of Pharmacy



Assay Description
The inhibition was carried out in 96-well polystyrene round bottomed plates. These plates were precoated with 100 ul per well of 50 ug per ml poly(...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
VEGFR kinase (KDR)


(Homo sapiens (Human))
BDBM192706
PNG
(2-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)phenoxy...)
Show SMILES O=C(COc1ccc(\C=C2/SC(=O)NC2=O)cc1)Nc1nc2ccccc2s1
Show InChI InChI=1S/C19H13N3O4S2/c23-16(21-18-20-13-3-1-2-4-14(13)27-18)10-26-12-7-5-11(6-8-12)9-15-17(24)22-19(25)28-15/h1-9H,10H2,(H,20,21,23)(H,22,24,25)/b15-9-
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Bharati Vidyapeeth's College of Pharmacy



Assay Description
The inhibition was carried out in 96-well polystyrene round bottomed plates. These plates were precoated with 100 ul per well of 50 ug per ml poly(...


Citation and Details
More data for this
Ligand-Target Pair
VEGFR kinase (KDR)


(Homo sapiens (Human))
BDBM205483
PNG
(US9260417, 6)
Show SMILES CSc1nc(N)cc(Oc2ccc(cc2)-c2nnc(Nc3cccc(c3)C(F)(F)F)[nH]2)n1
Show InChI InChI=1S/C20H16F3N7OS/c1-32-19-26-15(24)10-16(27-19)31-14-7-5-11(6-8-14)17-28-18(30-29-17)25-13-4-2-3-12(9-13)20(21,22)23/h2-10H,1H3,(H2,24,26,27)(H2,25,28,29,30)
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AMITECH THERAPEUTIC SOLUTIONS, INC.

US Patent


Assay Description
For the competitive binding assay, test compounds were screened at 10 uM against 70 diverse kinase targets for competitive binding using the KINOMEsc...


US Patent US9260417 (2016)

More data for this
Ligand-Target Pair