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Compile Data Set for Download or QSAR

Found 521 hits with Last Name = 'boral' and Initial = 's'   
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 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM308058
PNG
(US9650366, 9)
Show SMILES Cc1ccoc1C(=O)Nc1cccc(c1)C#Cc1cncc(c1)-c1nnn(CCCO)n1
PDB
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5n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9650366 (2017)


BindingDB Entry DOI: 10.7270/Q2QN68VG
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))
BDBM308059
PNG
(US9650366, 10)
Show SMILES Cc1cccc(c1)C(=O)Nc1cccc(c1)C#Cc1cncc(c1)-c1nnn(CCCO)n1
PDB
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7n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9650366 (2017)


BindingDB Entry DOI: 10.7270/Q2QN68VG
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))
BDBM308061
PNG
(US9650366, 12)
Show SMILES OCCCn1nnc(n1)-c1cncc(c1)C#Cc1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1
PDB
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8n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9650366 (2017)


BindingDB Entry DOI: 10.7270/Q2QN68VG
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM308058
PNG
(US9650366, 9)
Show SMILES Cc1ccoc1C(=O)Nc1cccc(c1)C#Cc1cncc(c1)-c1nnn(CCCO)n1
PDB
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21n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9650366 (2017)


BindingDB Entry DOI: 10.7270/Q2QN68VG
More data for this
Ligand-Target Pair
Interferon-induced, double-stranded RNA-activated protein kinase


(Homo sapiens (Human))
BDBM308051
PNG
(US9650366, 3)
Show SMILES Nc1ncc(cc1-c1cc2cc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)ccc2s1)-c1nnn(CCCO)n1
PDB
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39n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9650366 (2017)


BindingDB Entry DOI: 10.7270/Q2QN68VG
More data for this
Ligand-Target Pair
Interferon-induced, double-stranded RNA-activated protein kinase


(Homo sapiens (Human))
BDBM308056
PNG
(US9650366, 6)
Show SMILES Nc1ncc(cc1-c1cc2cc(NC(=O)Nc3cc(cc(c3)C(F)(F)F)C(F)(F)F)ccc2s1)-c1nnn(CCCO)n1
PDB
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66n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9650366 (2017)


BindingDB Entry DOI: 10.7270/Q2QN68VG
More data for this
Ligand-Target Pair
Interferon-induced, double-stranded RNA-activated protein kinase


(Homo sapiens (Human))
BDBM308055
PNG
(US9650366, 5)
Show SMILES Nc1ncc(cc1-c1cc2cc(NC(=O)Nc3cc(F)cc(c3)C(F)(F)F)ccc2s1)-c1nnn(CCCO)n1
PDB
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76n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9650366 (2017)


BindingDB Entry DOI: 10.7270/Q2QN68VG
More data for this
Ligand-Target Pair
Interferon-induced, double-stranded RNA-activated protein kinase


(Homo sapiens (Human))
BDBM308057
PNG
(US9650366, 8)
Show SMILES Nc1ncc(cc1-c1cc2cc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)ccc2s1)-c1nnn(CCO)n1
PDB
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82n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9650366 (2017)


BindingDB Entry DOI: 10.7270/Q2QN68VG
More data for this
Ligand-Target Pair
Interferon-induced, double-stranded RNA-activated protein kinase


(Homo sapiens (Human))
BDBM308054
PNG
(US9650366, 4)
Show SMILES Nc1ncc(cc1-c1cc2cc(NC(=O)Nc3ccc(F)c(c3)C(F)(F)F)ccc2s1)-c1nnn(CCCO)n1
PDB
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99n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9650366 (2017)


BindingDB Entry DOI: 10.7270/Q2QN68VG
More data for this
Ligand-Target Pair
Interferon-induced, double-stranded RNA-activated protein kinase


(Homo sapiens (Human))
BDBM308050
PNG
(US9650366, 2)
Show SMILES Nc1ncc(cc1-c1cc2cc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)ccc2s1)-c1nn[nH]n1
PDB
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140n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9650366 (2017)


BindingDB Entry DOI: 10.7270/Q2QN68VG
More data for this
Ligand-Target Pair
Interferon-induced, double-stranded RNA-activated protein kinase


(Homo sapiens (Human))
BDBM308060
PNG
(US9650366, 11)
Show SMILES Nc1ncc(cc1C#Cc1cccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)c1)-c1nnn(CCCO)n1
PDB
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158n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9650366 (2017)


BindingDB Entry DOI: 10.7270/Q2QN68VG
More data for this
Ligand-Target Pair
Interferon-induced, double-stranded RNA-activated protein kinase


(Homo sapiens (Human))
BDBM308063
PNG
(US9650366, 14)
Show SMILES Nc1ncc(cc1-c1cc2cc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)ccc2s1)-c1cnccn1
PDB
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301n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9650366 (2017)


BindingDB Entry DOI: 10.7270/Q2QN68VG
More data for this
Ligand-Target Pair
Interferon-induced, double-stranded RNA-activated protein kinase


(Homo sapiens (Human))
BDBM308062
PNG
(US9650366, 13)
Show SMILES Nc1ncc(cc1-c1cc2cc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)ccc2s1)-c1ncccn1
PDB
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558n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9650366 (2017)


BindingDB Entry DOI: 10.7270/Q2QN68VG
More data for this
Ligand-Target Pair
Interferon-induced, double-stranded RNA-activated protein kinase


(Homo sapiens (Human))
BDBM308049
PNG
(US9650366, 1)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc3sc(cc3c2)-c2cncc(c2)-c2nn[nH]n2)ccc1Cl
PDB
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727n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9650366 (2017)


BindingDB Entry DOI: 10.7270/Q2QN68VG
More data for this
Ligand-Target Pair
Interferon-induced, double-stranded RNA-activated protein kinase


(Homo sapiens (Human))
BDBM308061
PNG
(US9650366, 12)
Show SMILES OCCCn1nnc(n1)-c1cncc(c1)C#Cc1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1
PDB
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1.00E+4n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9650366 (2017)


BindingDB Entry DOI: 10.7270/Q2QN68VG
More data for this
Ligand-Target Pair
Interferon-induced, double-stranded RNA-activated protein kinase


(Homo sapiens (Human))
BDBM308058
PNG
(US9650366, 9)
Show SMILES Cc1ccoc1C(=O)Nc1cccc(c1)C#Cc1cncc(c1)-c1nnn(CCCO)n1
PDB
MMDB

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1.00E+4n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9650366 (2017)


BindingDB Entry DOI: 10.7270/Q2QN68VG
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))
BDBM208465
PNG
(US9266869, 23)
Show SMILES COC(=O)CCCCS(C)(=O)=NC(=O)c1cnc(N)c(c1)C#Cc1cccc(NC(=O)c2occc2C)c1
Show InChI InChI=1/C27H28N4O6S/c1-18-12-13-37-24(18)27(34)30-22-8-6-7-19(15-22)10-11-20-16-21(17-29-25(20)28)26(33)31-38(3,35)14-5-4-9-23(32)36-2/h6-8,12-13,15-17H,4-5,9,14H2,1-3H3,(H2,28,29)(H,30,34)
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n/an/a 1n/an/an/an/an/a37



Allergan, Inc.

US Patent


Assay Description
Automated FLIPR (Fluorometric Imaging Plate Reader) technology was used to screen for inhibitors of VEGF induced increases in intracellular calcium...


US Patent US9266869 (2016)


BindingDB Entry DOI: 10.7270/Q2NV9H33
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))
BDBM208468
PNG
(US9266869, 26)
Show SMILES COC(=O)CCCCS(C)(=O)=NC(=O)c1cnc(N)c(c1)C#Cc1cccc(NC(=O)c2cccc(C)c2)c1
Show InChI InChI=1/C29H30N4O5S/c1-20-8-6-10-23(16-20)28(35)32-25-11-7-9-21(17-25)13-14-22-18-24(19-31-27(22)30)29(36)33-39(3,37)15-5-4-12-26(34)38-2/h6-11,16-19H,4-5,12,15H2,1-3H3,(H2,30,31)(H,32,35)
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n/an/a 1n/an/an/an/an/a37



Allergan, Inc.

US Patent


Assay Description
Automated FLIPR (Fluorometric Imaging Plate Reader) technology was used to screen for inhibitors of VEGF induced increases in intracellular calcium...


US Patent US9266869 (2016)


BindingDB Entry DOI: 10.7270/Q2NV9H33
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))
BDBM208469
PNG
(US9266869, 27)
Show SMILES COC(=O)CCCCS(C)(=O)=NC(=O)c1cnc(N)c(c1)C#Cc1cccc(NC(=O)c2cc(ccc2F)C(F)(F)F)c1
Show InChI InChI=1/C29H26F4N4O5S/c1-42-25(38)8-3-4-13-43(2,41)37-27(39)20-15-19(26(34)35-17-20)10-9-18-6-5-7-22(14-18)36-28(40)23-16-21(29(31,32)33)11-12-24(23)30/h5-7,11-12,14-17H,3-4,8,13H2,1-2H3,(H2,34,35)(H,36,40)
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n/an/a 1n/an/an/an/an/a37



Allergan, Inc.

US Patent


Assay Description
Automated FLIPR (Fluorometric Imaging Plate Reader) technology was used to screen for inhibitors of VEGF induced increases in intracellular calcium...


US Patent US9266869 (2016)


BindingDB Entry DOI: 10.7270/Q2NV9H33
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))
BDBM208472
PNG
(US9266869, 30)
Show SMILES COC(=O)CCCCS(C)(=O)=NC(=O)c1cnc(N)c(c1)C#Cc1cccc(NC(=O)c2cccc(OC)c2)c1
Show InChI InChI=1/C29H30N4O6S/c1-38-25-11-7-9-22(18-25)28(35)32-24-10-6-8-20(16-24)13-14-21-17-23(19-31-27(21)30)29(36)33-40(3,37)15-5-4-12-26(34)39-2/h6-11,16-19H,4-5,12,15H2,1-3H3,(H2,30,31)(H,32,35)
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n/an/a 1n/an/an/an/an/a37



Allergan, Inc.

US Patent


Assay Description
Automated FLIPR (Fluorometric Imaging Plate Reader) technology was used to screen for inhibitors of VEGF induced increases in intracellular calcium...


US Patent US9266869 (2016)


BindingDB Entry DOI: 10.7270/Q2NV9H33
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))
BDBM208474
PNG
(US9266869, 32)
Show SMILES COC(=O)CCCC[S@](C)(=O)=NC(=O)c1cnc(N)c(c1)C#Cc1cccc(NC(=O)c2occc2C)c1 |r|
Show InChI InChI=1/C27H28N4O6S/c1-18-12-13-37-24(18)27(34)30-22-8-6-7-19(15-22)10-11-20-16-21(17-29-25(20)28)26(33)31-38(3,35)14-5-4-9-23(32)36-2/h6-8,12-13,15-17H,4-5,9,14H2,1-3H3,(H2,28,29)(H,30,34)/t38-/s2
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n/an/a 1n/an/an/an/an/a37



Allergan, Inc.

US Patent


Assay Description
Automated FLIPR (Fluorometric Imaging Plate Reader) technology was used to screen for inhibitors of VEGF induced increases in intracellular calcium...


US Patent US9266869 (2016)


BindingDB Entry DOI: 10.7270/Q2NV9H33
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))
BDBM208475
PNG
(US9266869, 33)
Show SMILES COC(=O)CCCC[S@@](C)(=O)=NC(=O)c1cnc(N)c(c1)C#Cc1cccc(NC(=O)c2occc2C)c1 |r|
Show InChI InChI=1/C27H28N4O6S/c1-18-12-13-37-24(18)27(34)30-22-8-6-7-19(15-22)10-11-20-16-21(17-29-25(20)28)26(33)31-38(3,35)14-5-4-9-23(32)36-2/h6-8,12-13,15-17H,4-5,9,14H2,1-3H3,(H2,28,29)(H,30,34)/t38-/s2
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n/an/a 1n/an/an/an/an/a37



Allergan, Inc.

US Patent


Assay Description
Automated FLIPR (Fluorometric Imaging Plate Reader) technology was used to screen for inhibitors of VEGF induced increases in intracellular calcium...


US Patent US9266869 (2016)


BindingDB Entry DOI: 10.7270/Q2NV9H33
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))
BDBM208478
PNG
(US9266869, 36)
Show SMILES COC(=O)CCCCS(C)(=O)=NC(=O)c1cnc(N)c(c1)C#Cc1cccc(c1)C(=O)Nc1cc(on1)C(C)(C)C
Show InChI InChI=1/C29H33N5O6S/c1-29(2,3)23-17-24(33-40-23)32-27(36)21-10-8-9-19(15-21)12-13-20-16-22(18-31-26(20)30)28(37)34-41(5,38)14-7-6-11-25(35)39-4/h8-10,15-18H,6-7,11,14H2,1-5H3,(H2,30,31)(H,32,33,36)
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n/an/a 1n/an/an/an/an/a37



Allergan, Inc.

US Patent


Assay Description
Automated FLIPR (Fluorometric Imaging Plate Reader) technology was used to screen for inhibitors of VEGF induced increases in intracellular calcium...


US Patent US9266869 (2016)


BindingDB Entry DOI: 10.7270/Q2NV9H33
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))
BDBM208481
PNG
(US9266869, 39)
Show SMILES Cc1ccoc1C(=O)Nc1cccc(c1)C#Cc1cncc(c1)C(=O)N=S(C)(=O)CCCO
Show InChI InChI=1/C24H23N3O5S/c1-17-9-11-32-22(17)24(30)26-21-6-3-5-18(14-21)7-8-19-13-20(16-25-15-19)23(29)27-33(2,31)12-4-10-28/h3,5-6,9,11,13-16,28H,4,10,12H2,1-2H3,(H,26,30)
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n/an/a 1n/an/an/an/an/a37



Allergan, Inc.

US Patent


Assay Description
Automated FLIPR (Fluorometric Imaging Plate Reader) technology was used to screen for inhibitors of VEGF induced increases in intracellular calcium...


US Patent US9266869 (2016)


BindingDB Entry DOI: 10.7270/Q2NV9H33
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))
BDBM208443
PNG
(US9266869, 1)
Show SMILES Cc1ccoc1C(=O)Nc1cccc(c1)C#Cc1cc(cnc1N)C(=O)N=S(C)(C)=O
Show InChI InChI=1S/C22H20N4O4S/c1-14-9-10-30-19(14)22(28)25-18-6-4-5-15(11-18)7-8-16-12-17(13-24-20(16)23)21(27)26-31(2,3)29/h4-6,9-13H,1-3H3,(H2,23,24)(H,25,28)
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n/an/a 1n/an/an/an/an/a37



Allergan, Inc.

US Patent


Assay Description
Automated FLIPR (Fluorometric Imaging Plate Reader) technology was used to screen for inhibitors of VEGF induced increases in intracellular calcium...


US Patent US9266869 (2016)


BindingDB Entry DOI: 10.7270/Q2NV9H33
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))
BDBM287565
PNG
(US9567324, 5)
Show SMILES CCOC(=O)CCCNC(=O)N1CCS(=O)(CC1)=NC(=O)c1cncc(c1)C#Cc1cccc(NC(=O)c2occc2C)c1
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n/an/a 2n/an/an/an/a7.4n/a



ALLERGAN, INC.

US Patent




US Patent US9567324 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4ZTK
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))
BDBM287566
PNG
(US9567324, 6)
Show SMILES Cc1ccoc1C(=O)Nc1cccc(c1)C#Cc1cncc(c1)C(=O)N=S1(=O)CCN(CC1)C(=O)NCCC(O)=O
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ALLERGAN, INC.

US Patent




US Patent US9567324 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4ZTK
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))
BDBM287567
PNG
(US9567324, 7)
Show SMILES Cc1ccoc1C(=O)Nc1cccc(c1)C#Cc1cncc(c1)C(=O)N=S1(=O)CCN(CC1)C(=O)NCCCC(O)=O
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ALLERGAN, INC.

US Patent




US Patent US9567324 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4ZTK
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))
BDBM287575
PNG
(US9567324, 15)
Show SMILES Cc1ccoc1C(=O)Nc1cccc(c1)C#Cc1cc(cnc1N)C(=O)N=S1(=O)CCN(CC1)C(N)=O
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ALLERGAN, INC.

US Patent




US Patent US9567324 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4ZTK
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))
BDBM208446
PNG
(US9266869, 4)
Show SMILES Cc1ccoc1C(=O)Nc1cccc(c1)C#Cc1cc(cnc1N)C(=O)N=S1(=O)CCCC1
Show InChI InChI=1S/C24H22N4O4S/c1-16-9-10-32-21(16)24(30)27-20-6-4-5-17(13-20)7-8-18-14-19(15-26-22(18)25)23(29)28-33(31)11-2-3-12-33/h4-6,9-10,13-15H,2-3,11-12H2,1H3,(H2,25,26)(H,27,30)
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n/an/a 2n/an/an/an/an/a37



Allergan, Inc.

US Patent


Assay Description
Automated FLIPR (Fluorometric Imaging Plate Reader) technology was used to screen for inhibitors of VEGF induced increases in intracellular calcium...


US Patent US9266869 (2016)


BindingDB Entry DOI: 10.7270/Q2NV9H33
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))
BDBM208476
PNG
(US9266869, 34)
Show SMILES COC(=O)CCCCS(C)(=O)=NC(=O)c1cnc(N)c(c1)C#Cc1cccc(c1)C(=O)Nc1cccc(C)c1
Show InChI InChI=1/C29H30N4O5S/c1-20-8-6-11-25(16-20)32-28(35)23-10-7-9-21(17-23)13-14-22-18-24(19-31-27(22)30)29(36)33-39(3,37)15-5-4-12-26(34)38-2/h6-11,16-19H,4-5,12,15H2,1-3H3,(H2,30,31)(H,32,35)
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n/an/a 2n/an/an/an/an/a37



Allergan, Inc.

US Patent


Assay Description
Automated FLIPR (Fluorometric Imaging Plate Reader) technology was used to screen for inhibitors of VEGF induced increases in intracellular calcium...


US Patent US9266869 (2016)


BindingDB Entry DOI: 10.7270/Q2NV9H33
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))
BDBM208482
PNG
(US9266869, 40)
Show SMILES Cc1ccoc1C(=O)Nc1cccc(c1)C#Cc1cc(cnc1N)C(=O)N=S(C)(=O)CCCO
Show InChI InChI=1/C24H24N4O5S/c1-16-9-11-33-21(16)24(31)27-20-6-3-5-17(13-20)7-8-18-14-19(15-26-22(18)25)23(30)28-34(2,32)12-4-10-29/h3,5-6,9,11,13-15,29H,4,10,12H2,1-2H3,(H2,25,26)(H,27,31)
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n/an/a 2n/an/an/an/an/a37



Allergan, Inc.

US Patent


Assay Description
Automated FLIPR (Fluorometric Imaging Plate Reader) technology was used to screen for inhibitors of VEGF induced increases in intracellular calcium...


US Patent US9266869 (2016)


BindingDB Entry DOI: 10.7270/Q2NV9H33
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))
BDBM208444
PNG
(US9266869, 2)
Show SMILES Cc1ccoc1C(=O)Nc1cccc(c1)C#Cc1cncc(c1)C(=O)N=S(C)(C)=O
Show InChI InChI=1S/C22H19N3O4S/c1-15-9-10-29-20(15)22(27)24-19-6-4-5-16(12-19)7-8-17-11-18(14-23-13-17)21(26)25-30(2,3)28/h4-6,9-14H,1-3H3,(H,24,27)
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n/an/a 2n/an/an/an/a7.430



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 US9266869 (2016)


BindingDB Entry DOI: 10.7270/Q2NV9H33
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))
BDBM208445
PNG
(US9266869, 3)
Show SMILES Cc1ccoc1C(=O)Nc1cccc(c1)C#Cc1cncc(c1)C(=O)N=S1(=O)CCCC1
Show InChI InChI=1S/C24H21N3O4S/c1-17-9-10-31-22(17)24(29)26-21-6-4-5-18(14-21)7-8-19-13-20(16-25-15-19)23(28)27-32(30)11-2-3-12-32/h4-6,9-10,13-16H,2-3,11-12H2,1H3,(H,26,29)
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n/an/a 2n/an/an/an/a7.430



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 US9266869 (2016)


BindingDB Entry DOI: 10.7270/Q2NV9H33
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))
BDBM208446
PNG
(US9266869, 4)
Show SMILES Cc1ccoc1C(=O)Nc1cccc(c1)C#Cc1cc(cnc1N)C(=O)N=S1(=O)CCCC1
Show InChI InChI=1S/C24H22N4O4S/c1-16-9-10-32-21(16)24(30)27-20-6-4-5-17(13-20)7-8-18-14-19(15-26-22(18)25)23(29)28-33(31)11-2-3-12-33/h4-6,9-10,13-15H,2-3,11-12H2,1H3,(H2,25,26)(H,27,30)
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n/an/a 2n/an/an/an/a7.430



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 US9266869 (2016)


BindingDB Entry DOI: 10.7270/Q2NV9H33
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))
BDBM208447
PNG
(US9266869, 5)
Show SMILES CS(C)(=O)=NC(=O)c1cnc(N)c(c1)C#Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C23H19ClN4O3S/c1-32(2,31)28-23(30)18-13-17(21(25)26-14-18)7-6-15-4-3-5-20(12-15)27-22(29)16-8-10-19(24)11-9-16/h3-5,8-14H,1-2H3,(H2,25,26)(H,27,29)
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n/an/a 2n/an/an/an/a7.430



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 US9266869 (2016)


BindingDB Entry DOI: 10.7270/Q2NV9H33
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))
BDBM287561
PNG
(US9567324, 1)
Show SMILES Cc1ccoc1C(=O)Nc1cccc(c1)C#Cc1cncc(c1)C(=O)N=S1(=O)CCN(CC1)C(=O)OC(C)(C)C
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n/an/a 3n/an/an/an/a7.4n/a



ALLERGAN, INC.

US Patent




US Patent US9567324 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4ZTK
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))
BDBM287562
PNG
(US9567324, 2)
Show SMILES Cc1ccoc1C(=O)Nc1cccc(c1)C#Cc1cncc(c1)C(=O)N=S1(=O)CCNCC1
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n/an/a 3n/an/an/an/a7.4n/a



ALLERGAN, INC.

US Patent




US Patent US9567324 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4ZTK
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))
BDBM287563
PNG
(US9567324, 3)
Show SMILES CC(=O)N1CCS(=O)(CC1)=NC(=O)c1cncc(c1)C#Cc1cccc(NC(=O)c2occc2C)c1
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ALLERGAN, INC.

US Patent




US Patent US9567324 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4ZTK
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))
BDBM287564
PNG
(US9567324, 4)
Show SMILES CCOC(=O)CCNC(=O)N1CCS(=O)(CC1)=NC(=O)c1cncc(c1)C#Cc1cccc(NC(=O)c2occc2C)c1
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n/an/a 3n/an/an/an/a7.4n/a



ALLERGAN, INC.

US Patent




US Patent US9567324 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4ZTK
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))
BDBM287573
PNG
(US9567324, 13)
Show SMILES Cc1ccoc1C(=O)Nc1cccc(c1)C#Cc1cc(cnc1N)C(=O)N=S1(=O)CCN(CC1)C(=O)OC(C)(C)C
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n/an/a 3n/an/an/an/a7.4n/a



ALLERGAN, INC.

US Patent




US Patent US9567324 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4ZTK
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))
BDBM287574
PNG
(US9567324, 14)
Show SMILES Cc1ccoc1C(=O)Nc1cccc(c1)C#Cc1cc(cnc1N)C(=O)N=S1(=O)CCNCC1
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n/an/a 3n/an/an/an/a7.4n/a



ALLERGAN, INC.

US Patent




US Patent US9567324 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4ZTK
More data for this
Ligand-Target Pair
VEGF-receptor 2 and PDGF-receptor beta (KDR and PDGFR beta)


(Homo sapiens (Human))
US9868726, Example 2
PNG
(6-amino-5-[5-({[(3-chloro-4- fluorophenyl)amino]ca...)
PDB
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n/an/a 3n/an/an/an/an/an/a



Amgen





J Med Chem 50: 3515-27 (2007)


Article DOI: 10.1021/jm070190p
More data for this
Ligand-Target Pair
VEGF-receptor 2 and PDGF-receptor beta (KDR and PDGFR beta)


(Homo sapiens (Human))
US9868726, Example 54
PNG
(methyl 5-[N-({6-amino-5-[5- ({[(2-fluoro-5- methyl...)
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Amgen





J Med Chem 50: 3515-27 (2007)


Article DOI: 10.1021/jm070190p
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))
BDBM208454
PNG
(US9266869, 12)
Show SMILES Cc1ccoc1C(=O)Nc1cccc(c1)C#Cc1cc(cnc1N)C(=O)N=S(C)(=O)CC(=O)N1CC[C@H](O)C1 |r|
Show InChI InChI=1/C27H27N5O6S/c1-17-9-11-38-24(17)27(36)30-21-5-3-4-18(12-21)6-7-19-13-20(14-29-25(19)28)26(35)31-39(2,37)16-23(34)32-10-8-22(33)15-32/h3-5,9,11-14,22,33H,8,10,15-16H2,1-2H3,(H2,28,29)(H,30,36)/t22-,39?/s2
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n/an/a 3n/an/an/an/an/a37



Allergan, Inc.

US Patent


Assay Description
Automated FLIPR (Fluorometric Imaging Plate Reader) technology was used to screen for inhibitors of VEGF induced increases in intracellular calcium...


US Patent US9266869 (2016)


BindingDB Entry DOI: 10.7270/Q2NV9H33
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))
BDBM234579
PNG
(US9353093, 1)
Show SMILES CCc1cccc(NC(=O)Nc2ccc(cc2)-c2cc3ccccc3n2C(N)=O)c1
Show InChI InChI=1S/C24H22N4O2/c1-2-16-6-5-8-20(14-16)27-24(30)26-19-12-10-17(11-13-19)22-15-18-7-3-4-9-21(18)28(22)23(25)29/h3-15H,2H2,1H3,(H2,25,29)(H2,26,27,30)
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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 μg/well of poly-Glu-Tyr (4:1) in 10...


US Patent US9353093 (2016)


BindingDB Entry DOI: 10.7270/Q2BZ64ZV
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))
BDBM144589
PNG
(US8969583, 5)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2nsc(NC(=O)NCCCN3CCOCC3)c2C(N)=O)c1
Show InChI InChI=1S/C26H31N7O4S/c1-17-4-2-5-20(16-17)30-26(36)29-19-8-6-18(7-9-19)22-21(23(27)34)24(38-32-22)31-25(35)28-10-3-11-33-12-14-37-15-13-33/h2,4-9,16H,3,10-15H2,1H3,(H2,27,34)(H2,28,31,35)(H2,29,30,36)
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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 US8969583 (2015)


BindingDB Entry DOI: 10.7270/Q2RN36JS
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM144589
PNG
(US8969583, 5)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2nsc(NC(=O)NCCCN3CCOCC3)c2C(N)=O)c1
Show InChI InChI=1S/C26H31N7O4S/c1-17-4-2-5-20(16-17)30-26(36)29-19-8-6-18(7-9-19)22-21(23(27)34)24(38-32-22)31-25(35)28-10-3-11-33-12-14-37-15-13-33/h2,4-9,16H,3,10-15H2,1H3,(H2,27,34)(H2,28,31,35)(H2,29,30,36)
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n/an/a 3n/an/an/an/a7.430



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 US8969583 (2015)


BindingDB Entry DOI: 10.7270/Q2RN36JS
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))
BDBM208450
PNG
(US9266869, 8)
Show SMILES Cc1ccc(F)c(NC(=O)Nc2cccc(c2)C#Cc2cncc(c2)C(=O)N=S(C)(C)=O)c1
Show InChI InChI=1S/C24H21FN4O3S/c1-16-7-10-21(25)22(11-16)28-24(31)27-20-6-4-5-17(13-20)8-9-18-12-19(15-26-14-18)23(30)29-33(2,3)32/h4-7,10-15H,1-3H3,(H2,27,28,31)
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n/an/a 3n/an/an/an/a7.430



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 US9266869 (2016)


BindingDB Entry DOI: 10.7270/Q2NV9H33
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))
BDBM208454
PNG
(US9266869, 12)
Show SMILES Cc1ccoc1C(=O)Nc1cccc(c1)C#Cc1cc(cnc1N)C(=O)N=S(C)(=O)CC(=O)N1CC[C@H](O)C1 |r|
Show InChI InChI=1/C27H27N5O6S/c1-17-9-11-38-24(17)27(36)30-21-5-3-4-18(12-21)6-7-19-13-20(14-29-25(19)28)26(35)31-39(2,37)16-23(34)32-10-8-22(33)15-32/h3-5,9,11-14,22,33H,8,10,15-16H2,1-2H3,(H2,28,29)(H,30,36)/t22-,39?/s2
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n/an/a 3n/an/an/an/a7.430



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 US9266869 (2016)


BindingDB Entry DOI: 10.7270/Q2NV9H33
More data for this
Ligand-Target Pair
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