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Patent code US9776988

Compile Data Set for Download or QSAR
Found 32 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
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM342461
PNG
(US9776988, Example 21)
Show SMILES COc1cc(CCc2cc(n[nH]2)-c2nc3ccc(cc3[nH]2)N2CCN(CC2)C(=O)N2CCOCC2)cc(OC)c1
Show InChI InChI=1S/C29H33N7O4/c1-38-23-15-20(16-24(19-23)39-2)3-4-21-17-27(33-32-21)28-30-25-6-5-22(18-26(25)31-28)34-7-9-35(10-8-34)29(37)36-11-13-40-14-12-36/h5-6,15-19H,3-4,7-14H2,1-2H3/b28-27+
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n/an/a 0.950n/an/an/an/an/an/a



Celon Pharma S.A.

US Patent


Assay Description
The compounds were dissolved in 100% DMSO, and obtained solutions were serially diluted in reaction buffer (50 mM Tris pH 7.5, 10 mM MgCl2, 0.25 mM E...


US Patent US9776988 (2017)

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


(Homo sapiens (Human))
BDBM342487
PNG
(US9776988, Example 3)
Show SMILES COc1cc(CCc2cc(n[nH]2)-c2nc3ccc(cc3[nH]2)C(=O)NC2CCOCC2)cc(OC)c1
Show InChI InChI=1S/C26H27N5O4/c1-33-20-11-16(12-21(15-20)34-2)3-5-19-14-24(31-30-19)25-28-22-6-4-17(13-23(22)29-25)26(32)27-18-7-9-35-10-8-18/h4,6,11-15,18H,3,5,7-10H2,1-2H3,(H,27,32)/b25-24+
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n/an/a 1.07n/an/an/an/an/an/a



Celon Pharma S.A.

US Patent


Assay Description
The compounds were dissolved in 100% DMSO, and obtained solutions were serially diluted in reaction buffer (50 mM Tris pH 7.5, 10 mM MgCl2, 0.25 mM E...


US Patent US9776988 (2017)

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


(Homo sapiens (Human))
BDBM342463
PNG
(US9776988, Example 27)
Show SMILES COc1cc(CCc2cc(n[nH]2)-c2nc3ccc(cc3[nH]2)-c2ccn(CCN3CCOCC3)n2)cc(OC)c1
Show InChI InChI=1S/C29H31N7O3/c1-37-23-15-20(16-24(19-23)38-2)3-5-22-18-28(33-32-22)29-30-26-6-4-21(17-27(26)31-29)25-7-8-36(34-25)10-9-35-11-13-39-14-12-35/h4,6-8,15-19H,3,5,9-14H2,1-2H3/b29-28+
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n/an/a 1.26n/an/an/an/an/an/a



Celon Pharma S.A.

US Patent


Assay Description
The compounds were dissolved in 100% DMSO, and obtained solutions were serially diluted in reaction buffer (50 mM Tris pH 7.5, 10 mM MgCl2, 0.25 mM E...


US Patent US9776988 (2017)

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


(Homo sapiens (Human))
BDBM342456
PNG
(US9776988, Example 14)
Show SMILES COc1cc(CCc2cc(n[nH]2)-c2nc3cc(CN4CCN(CCN5CCOCC5)CC4)ccc3[nH]2)cc(OC)c1
Show InChI InChI=1S/C31H39N7O3/c1-39-26-17-23(18-27(21-26)40-2)3-5-25-20-30(35-34-25)31-32-28-6-4-24(19-29(28)33-31)22-38-11-9-36(10-12-38)7-8-37-13-15-41-16-14-37/h4,6,17-21H,3,5,7-16,22H2,1-2H3/b31-30-
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n/an/a 1.63n/an/an/an/an/an/a



Celon Pharma S.A.

US Patent


Assay Description
The compounds were dissolved in 100% DMSO, and obtained solutions were serially diluted in reaction buffer (50 mM Tris pH 7.5, 10 mM MgCl2, 0.25 mM E...


US Patent US9776988 (2017)

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


(Homo sapiens (Human))
BDBM339992
PNG
(US9776988, Example 18)
Show SMILES CCN1CCN(CC1)c1ccc2[nH]c(nc2c1)-c1cc(CCc2cc(OC)cc(OC)c2)[nH]n1
Show InChI InChI=1S/C26H30N6O2/c1-4-31-9-11-32(12-10-31)20-7-8-23-24(16-20)28-26(27-23)25-15-19(29-30-25)6-5-18-13-21(33-2)17-22(14-18)34-3/h7-8,13-17H,4-6,9-12H2,1-3H3/b26-25-
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n/an/a 2.05n/an/an/an/an/an/a



Celon Pharma S.A.

US Patent


Assay Description
The compounds were dissolved in 100% DMSO, and obtained solutions were serially diluted in reaction buffer (50 mM Tris pH 7.5, 10 mM MgCl2, 0.25 mM E...


US Patent US9776988 (2017)

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


(Homo sapiens (Human))
BDBM340025
PNG
(US9776988, Example 8)
Show SMILES COc1cc(CCc2cc(n[nH]2)-c2nc3cc(ccc3[nH]2)C(=O)N2CCN(C)CC2)cc(OC)c1
Show InChI InChI=1S/C26H28N6O3/c1-31-8-10-32(11-9-31)26(33)18-5-7-22-23(14-18)28-25(27-22)24-15-19(29-30-24)6-4-17-12-20(34-2)16-21(13-17)35-3/h5,7,12-16H,4,6,8-11H2,1-3H3/b25-24-
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n/an/a 2.13n/an/an/an/an/an/a



Celon Pharma S.A.

US Patent


Assay Description
The compounds were dissolved in 100% DMSO, and obtained solutions were serially diluted in reaction buffer (50 mM Tris pH 7.5, 10 mM MgCl2, 0.25 mM E...


US Patent US9776988 (2017)

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


(Homo sapiens (Human))
BDBM342472
PNG
(US9776988, Example 4)
Show SMILES COc1cc(CCc2cc(n[nH]2)-c2nc3ccc(cc3[nH]2)C(=O)NCCN2CCOCC2)cc(OC)c1
Show InChI InChI=1S/C27H30N6O4/c1-35-21-13-18(14-22(17-21)36-2)3-5-20-16-25(32-31-20)26-29-23-6-4-19(15-24(23)30-26)27(34)28-7-8-33-9-11-37-12-10-33/h4,6,13-17H,3,5,7-12H2,1-2H3,(H,28,34)/b26-25+
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n/an/a 2.18n/an/an/an/an/an/a



Celon Pharma S.A.

US Patent


Assay Description
The compounds were dissolved in 100% DMSO, and obtained solutions were serially diluted in reaction buffer (50 mM Tris pH 7.5, 10 mM MgCl2, 0.25 mM E...


US Patent US9776988 (2017)

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


(Homo sapiens (Human))
BDBM340013
PNG
(US9776988, Example 2)
Show SMILES COc1cc(CCc2cc(n[nH]2)-c2nc3cc(ccc3[nH]2)C(=O)N2CCOCC2)cc(OC)c1
Show InChI InChI=1S/C25H25N5O4/c1-32-19-11-16(12-20(15-19)33-2)3-5-18-14-23(29-28-18)24-26-21-6-4-17(13-22(21)27-24)25(31)30-7-9-34-10-8-30/h4,6,11-15H,3,5,7-10H2,1-2H3/b24-23-
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n/an/a 2.19n/an/an/an/an/an/a



Celon Pharma S.A.

US Patent


Assay Description
The compounds were dissolved in 100% DMSO, and obtained solutions were serially diluted in reaction buffer (50 mM Tris pH 7.5, 10 mM MgCl2, 0.25 mM E...


US Patent US9776988 (2017)

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


(Homo sapiens (Human))
BDBM342461
PNG
(US9776988, Example 21)
Show SMILES COc1cc(CCc2cc(n[nH]2)-c2nc3ccc(cc3[nH]2)N2CCN(CC2)C(=O)N2CCOCC2)cc(OC)c1
Show InChI InChI=1S/C29H33N7O4/c1-38-23-15-20(16-24(19-23)39-2)3-4-21-17-27(33-32-21)28-30-25-6-5-22(18-26(25)31-28)34-7-9-35(10-8-34)29(37)36-11-13-40-14-12-36/h5-6,15-19H,3-4,7-14H2,1-2H3/b28-27+
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n/an/a 3.52n/an/an/an/an/an/a



Celon Pharma S.A.

US Patent


Assay Description
The compounds were dissolved in 100% DMSO, and obtained solutions were serially diluted in reaction buffer (50 mM Tris pH 7.5, 10 mM MgCl2, 0.25 mM E...


US Patent US9776988 (2017)

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


(Homo sapiens (Human))
BDBM339992
PNG
(US9776988, Example 18)
Show SMILES CCN1CCN(CC1)c1ccc2[nH]c(nc2c1)-c1cc(CCc2cc(OC)cc(OC)c2)[nH]n1
Show InChI InChI=1S/C26H30N6O2/c1-4-31-9-11-32(12-10-31)20-7-8-23-24(16-20)28-26(27-23)25-15-19(29-30-25)6-5-18-13-21(33-2)17-22(14-18)34-3/h7-8,13-17H,4-6,9-12H2,1-3H3/b26-25-
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n/an/a 4.72n/an/an/an/an/an/a



Celon Pharma S.A.

US Patent


Assay Description
The compounds were dissolved in 100% DMSO, and obtained solutions were serially diluted in reaction buffer (50 mM Tris pH 7.5, 10 mM MgCl2, 0.25 mM E...


US Patent US9776988 (2017)

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


(Homo sapiens (Human))
BDBM342463
PNG
(US9776988, Example 27)
Show SMILES COc1cc(CCc2cc(n[nH]2)-c2nc3ccc(cc3[nH]2)-c2ccn(CCN3CCOCC3)n2)cc(OC)c1
Show InChI InChI=1S/C29H31N7O3/c1-37-23-15-20(16-24(19-23)38-2)3-5-22-18-28(33-32-22)29-30-26-6-4-21(17-27(26)31-29)25-7-8-36(34-25)10-9-35-11-13-39-14-12-35/h4,6-8,15-19H,3,5,9-14H2,1-2H3/b29-28+
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n/an/a 6.54n/an/an/an/an/an/a



Celon Pharma S.A.

US Patent


Assay Description
The compounds were dissolved in 100% DMSO, and obtained solutions were serially diluted in reaction buffer (50 mM Tris pH 7.5, 10 mM MgCl2, 0.25 mM E...


US Patent US9776988 (2017)

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


(Homo sapiens (Human))
BDBM340013
PNG
(US9776988, Example 2)
Show SMILES COc1cc(CCc2cc(n[nH]2)-c2nc3cc(ccc3[nH]2)C(=O)N2CCOCC2)cc(OC)c1
Show InChI InChI=1S/C25H25N5O4/c1-32-19-11-16(12-20(15-19)33-2)3-5-18-14-23(29-28-18)24-26-21-6-4-17(13-22(21)27-24)25(31)30-7-9-34-10-8-30/h4,6,11-15H,3,5,7-10H2,1-2H3/b24-23-
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n/an/a 7.80n/an/an/an/an/an/a



Celon Pharma S.A.

US Patent


Assay Description
The compounds were dissolved in 100% DMSO, and obtained solutions were serially diluted in reaction buffer (50 mM Tris pH 7.5, 10 mM MgCl2, 0.25 mM E...


US Patent US9776988 (2017)

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


(Homo sapiens (Human))
BDBM339992
PNG
(US9776988, Example 18)
Show SMILES CCN1CCN(CC1)c1ccc2[nH]c(nc2c1)-c1cc(CCc2cc(OC)cc(OC)c2)[nH]n1
Show InChI InChI=1S/C26H30N6O2/c1-4-31-9-11-32(12-10-31)20-7-8-23-24(16-20)28-26(27-23)25-15-19(29-30-25)6-5-18-13-21(33-2)17-22(14-18)34-3/h7-8,13-17H,4-6,9-12H2,1-3H3/b26-25-
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n/an/a 8.65n/an/an/an/an/an/a



Celon Pharma S.A.

US Patent


Assay Description
The compounds were dissolved in 100% DMSO, and obtained solutions were serially diluted in reaction buffer (50 mM Tris pH 7.5, 10 mM MgCl2, 0.25 mM E...


US Patent US9776988 (2017)

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


(Homo sapiens (Human))
BDBM340025
PNG
(US9776988, Example 8)
Show SMILES COc1cc(CCc2cc(n[nH]2)-c2nc3cc(ccc3[nH]2)C(=O)N2CCN(C)CC2)cc(OC)c1
Show InChI InChI=1S/C26H28N6O3/c1-31-8-10-32(11-9-31)26(33)18-5-7-22-23(14-18)28-25(27-22)24-15-19(29-30-24)6-4-17-12-20(34-2)16-21(13-17)35-3/h5,7,12-16H,4,6,8-11H2,1-3H3/b25-24-
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n/an/a 9.65n/an/an/an/an/an/a



Celon Pharma S.A.

US Patent


Assay Description
The compounds were dissolved in 100% DMSO, and obtained solutions were serially diluted in reaction buffer (50 mM Tris pH 7.5, 10 mM MgCl2, 0.25 mM E...


US Patent US9776988 (2017)

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


(Homo sapiens (Human))
BDBM342461
PNG
(US9776988, Example 21)
Show SMILES COc1cc(CCc2cc(n[nH]2)-c2nc3ccc(cc3[nH]2)N2CCN(CC2)C(=O)N2CCOCC2)cc(OC)c1
Show InChI InChI=1S/C29H33N7O4/c1-38-23-15-20(16-24(19-23)39-2)3-4-21-17-27(33-32-21)28-30-25-6-5-22(18-26(25)31-28)34-7-9-35(10-8-34)29(37)36-11-13-40-14-12-36/h5-6,15-19H,3-4,7-14H2,1-2H3/b28-27+
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n/an/a 10.5n/an/an/an/an/an/a



Celon Pharma S.A.

US Patent


Assay Description
The compounds were dissolved in 100% DMSO, and obtained solutions were serially diluted in reaction buffer (50 mM Tris pH 7.5, 10 mM MgCl2, 0.25 mM E...


US Patent US9776988 (2017)

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


(Homo sapiens (Human))
BDBM342487
PNG
(US9776988, Example 3)
Show SMILES COc1cc(CCc2cc(n[nH]2)-c2nc3ccc(cc3[nH]2)C(=O)NC2CCOCC2)cc(OC)c1
Show InChI InChI=1S/C26H27N5O4/c1-33-20-11-16(12-21(15-20)34-2)3-5-19-14-24(31-30-19)25-28-22-6-4-17(13-23(22)29-25)26(32)27-18-7-9-35-10-8-18/h4,6,11-15,18H,3,5,7-10H2,1-2H3,(H,27,32)/b25-24+
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n/an/a 11.3n/an/an/an/an/an/a



Celon Pharma S.A.

US Patent


Assay Description
The compounds were dissolved in 100% DMSO, and obtained solutions were serially diluted in reaction buffer (50 mM Tris pH 7.5, 10 mM MgCl2, 0.25 mM E...


US Patent US9776988 (2017)

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


(Homo sapiens (Human))
BDBM342472
PNG
(US9776988, Example 4)
Show SMILES COc1cc(CCc2cc(n[nH]2)-c2nc3ccc(cc3[nH]2)C(=O)NCCN2CCOCC2)cc(OC)c1
Show InChI InChI=1S/C27H30N6O4/c1-35-21-13-18(14-22(17-21)36-2)3-5-20-16-25(32-31-20)26-29-23-6-4-19(15-24(23)30-26)27(34)28-7-8-33-9-11-37-12-10-33/h4,6,13-17H,3,5,7-12H2,1-2H3,(H,28,34)/b26-25+
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n/an/a 11.3n/an/an/an/an/an/a



Celon Pharma S.A.

US Patent


Assay Description
The compounds were dissolved in 100% DMSO, and obtained solutions were serially diluted in reaction buffer (50 mM Tris pH 7.5, 10 mM MgCl2, 0.25 mM E...


US Patent US9776988 (2017)

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


(Homo sapiens (Human))
BDBM342456
PNG
(US9776988, Example 14)
Show SMILES COc1cc(CCc2cc(n[nH]2)-c2nc3cc(CN4CCN(CCN5CCOCC5)CC4)ccc3[nH]2)cc(OC)c1
Show InChI InChI=1S/C31H39N7O3/c1-39-26-17-23(18-27(21-26)40-2)3-5-25-20-30(35-34-25)31-32-28-6-4-24(19-29(28)33-31)22-38-11-9-36(10-12-38)7-8-37-13-15-41-16-14-37/h4,6,17-21H,3,5,7-16,22H2,1-2H3/b31-30-
PDB
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n/an/a 16n/an/an/an/an/an/a



Celon Pharma S.A.

US Patent


Assay Description
The compounds were dissolved in 100% DMSO, and obtained solutions were serially diluted in reaction buffer (50 mM Tris pH 7.5, 10 mM MgCl2, 0.25 mM E...


US Patent US9776988 (2017)

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


(Homo sapiens (Human))
BDBM342463
PNG
(US9776988, Example 27)
Show SMILES COc1cc(CCc2cc(n[nH]2)-c2nc3ccc(cc3[nH]2)-c2ccn(CCN3CCOCC3)n2)cc(OC)c1
Show InChI InChI=1S/C29H31N7O3/c1-37-23-15-20(16-24(19-23)38-2)3-5-22-18-28(33-32-22)29-30-26-6-4-21(17-27(26)31-29)25-7-8-36(34-25)10-9-35-11-13-39-14-12-35/h4,6-8,15-19H,3,5,9-14H2,1-2H3/b29-28+
PDB
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n/an/a 17.8n/an/an/an/an/an/a



Celon Pharma S.A.

US Patent


Assay Description
The compounds were dissolved in 100% DMSO, and obtained solutions were serially diluted in reaction buffer (50 mM Tris pH 7.5, 10 mM MgCl2, 0.25 mM E...


US Patent US9776988 (2017)

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


(Homo sapiens (Human))
BDBM340025
PNG
(US9776988, Example 8)
Show SMILES COc1cc(CCc2cc(n[nH]2)-c2nc3cc(ccc3[nH]2)C(=O)N2CCN(C)CC2)cc(OC)c1
Show InChI InChI=1S/C26H28N6O3/c1-31-8-10-32(11-9-31)26(33)18-5-7-22-23(14-18)28-25(27-22)24-15-19(29-30-24)6-4-17-12-20(34-2)16-21(13-17)35-3/h5,7,12-16H,4,6,8-11H2,1-3H3/b25-24-
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n/an/a 22.2n/an/an/an/an/an/a



Celon Pharma S.A.

US Patent


Assay Description
The compounds were dissolved in 100% DMSO, and obtained solutions were serially diluted in reaction buffer (50 mM Tris pH 7.5, 10 mM MgCl2, 0.25 mM E...


US Patent US9776988 (2017)

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


(Homo sapiens (Human))
BDBM340013
PNG
(US9776988, Example 2)
Show SMILES COc1cc(CCc2cc(n[nH]2)-c2nc3cc(ccc3[nH]2)C(=O)N2CCOCC2)cc(OC)c1
Show InChI InChI=1S/C25H25N5O4/c1-32-19-11-16(12-20(15-19)33-2)3-5-18-14-23(29-28-18)24-26-21-6-4-17(13-22(21)27-24)25(31)30-7-9-34-10-8-30/h4,6,11-15H,3,5,7-10H2,1-2H3/b24-23-
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n/an/a 25.3n/an/an/an/an/an/a



Celon Pharma S.A.

US Patent


Assay Description
The compounds were dissolved in 100% DMSO, and obtained solutions were serially diluted in reaction buffer (50 mM Tris pH 7.5, 10 mM MgCl2, 0.25 mM E...


US Patent US9776988 (2017)

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


(Homo sapiens (Human))
BDBM342472
PNG
(US9776988, Example 4)
Show SMILES COc1cc(CCc2cc(n[nH]2)-c2nc3ccc(cc3[nH]2)C(=O)NCCN2CCOCC2)cc(OC)c1
Show InChI InChI=1S/C27H30N6O4/c1-35-21-13-18(14-22(17-21)36-2)3-5-20-16-25(32-31-20)26-29-23-6-4-19(15-24(23)30-26)27(34)28-7-8-33-9-11-37-12-10-33/h4,6,13-17H,3,5,7-12H2,1-2H3,(H,28,34)/b26-25+
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n/an/a 29.8n/an/an/an/an/an/a



Celon Pharma S.A.

US Patent


Assay Description
The compounds were dissolved in 100% DMSO, and obtained solutions were serially diluted in reaction buffer (50 mM Tris pH 7.5, 10 mM MgCl2, 0.25 mM E...


US Patent US9776988 (2017)

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


(Homo sapiens (Human))
BDBM342456
PNG
(US9776988, Example 14)
Show SMILES COc1cc(CCc2cc(n[nH]2)-c2nc3cc(CN4CCN(CCN5CCOCC5)CC4)ccc3[nH]2)cc(OC)c1
Show InChI InChI=1S/C31H39N7O3/c1-39-26-17-23(18-27(21-26)40-2)3-5-25-20-30(35-34-25)31-32-28-6-4-24(19-29(28)33-31)22-38-11-9-36(10-12-38)7-8-37-13-15-41-16-14-37/h4,6,17-21H,3,5,7-16,22H2,1-2H3/b31-30-
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n/an/a 33.1n/an/an/an/an/an/a



Celon Pharma S.A.

US Patent


Assay Description
The compounds were dissolved in 100% DMSO, and obtained solutions were serially diluted in reaction buffer (50 mM Tris pH 7.5, 10 mM MgCl2, 0.25 mM E...


US Patent US9776988 (2017)

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


(Homo sapiens (Human))
BDBM342487
PNG
(US9776988, Example 3)
Show SMILES COc1cc(CCc2cc(n[nH]2)-c2nc3ccc(cc3[nH]2)C(=O)NC2CCOCC2)cc(OC)c1
Show InChI InChI=1S/C26H27N5O4/c1-33-20-11-16(12-21(15-20)34-2)3-5-19-14-24(31-30-19)25-28-22-6-4-17(13-23(22)29-25)26(32)27-18-7-9-35-10-8-18/h4,6,11-15,18H,3,5,7-10H2,1-2H3,(H,27,32)/b25-24+
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n/an/a 40.5n/an/an/an/an/an/a



Celon Pharma S.A.

US Patent


Assay Description
The compounds were dissolved in 100% DMSO, and obtained solutions were serially diluted in reaction buffer (50 mM Tris pH 7.5, 10 mM MgCl2, 0.25 mM E...


US Patent US9776988 (2017)

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))
BDBM342461
PNG
(US9776988, Example 21)
Show SMILES COc1cc(CCc2cc(n[nH]2)-c2nc3ccc(cc3[nH]2)N2CCN(CC2)C(=O)N2CCOCC2)cc(OC)c1
Show InChI InChI=1S/C29H33N7O4/c1-38-23-15-20(16-24(19-23)39-2)3-4-21-17-27(33-32-21)28-30-25-6-5-22(18-26(25)31-28)34-7-9-35(10-8-34)29(37)36-11-13-40-14-12-36/h5-6,15-19H,3-4,7-14H2,1-2H3/b28-27+
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n/an/a 44n/an/an/an/an/an/a



Celon Pharma S.A.

US Patent


Assay Description
The compounds were dissolved in 100% DMSO, and obtained solutions were serially diluted in reaction buffer (50 mM Tris pH 7.5, 10 mM MgCl2, 0.25 mM E...


US Patent US9776988 (2017)

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))
BDBM342487
PNG
(US9776988, Example 3)
Show SMILES COc1cc(CCc2cc(n[nH]2)-c2nc3ccc(cc3[nH]2)C(=O)NC2CCOCC2)cc(OC)c1
Show InChI InChI=1S/C26H27N5O4/c1-33-20-11-16(12-21(15-20)34-2)3-5-19-14-24(31-30-19)25-28-22-6-4-17(13-23(22)29-25)26(32)27-18-7-9-35-10-8-18/h4,6,11-15,18H,3,5,7-10H2,1-2H3,(H,27,32)/b25-24+
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n/an/a 70.4n/an/an/an/an/an/a



Celon Pharma S.A.

US Patent


Assay Description
The compounds were dissolved in 100% DMSO, and obtained solutions were serially diluted in reaction buffer (50 mM Tris pH 7.5, 10 mM MgCl2, 0.25 mM E...


US Patent US9776988 (2017)

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))
BDBM340025
PNG
(US9776988, Example 8)
Show SMILES COc1cc(CCc2cc(n[nH]2)-c2nc3cc(ccc3[nH]2)C(=O)N2CCN(C)CC2)cc(OC)c1
Show InChI InChI=1S/C26H28N6O3/c1-31-8-10-32(11-9-31)26(33)18-5-7-22-23(14-18)28-25(27-22)24-15-19(29-30-24)6-4-17-12-20(34-2)16-21(13-17)35-3/h5,7,12-16H,4,6,8-11H2,1-3H3/b25-24-
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n/an/a 79.3n/an/an/an/an/an/a



Celon Pharma S.A.

US Patent


Assay Description
The compounds were dissolved in 100% DMSO, and obtained solutions were serially diluted in reaction buffer (50 mM Tris pH 7.5, 10 mM MgCl2, 0.25 mM E...


US Patent US9776988 (2017)

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))
BDBM339992
PNG
(US9776988, Example 18)
Show SMILES CCN1CCN(CC1)c1ccc2[nH]c(nc2c1)-c1cc(CCc2cc(OC)cc(OC)c2)[nH]n1
Show InChI InChI=1S/C26H30N6O2/c1-4-31-9-11-32(12-10-31)20-7-8-23-24(16-20)28-26(27-23)25-15-19(29-30-25)6-5-18-13-21(33-2)17-22(14-18)34-3/h7-8,13-17H,4-6,9-12H2,1-3H3/b26-25-
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n/an/a 81.6n/an/an/an/an/an/a



Celon Pharma S.A.

US Patent


Assay Description
The compounds were dissolved in 100% DMSO, and obtained solutions were serially diluted in reaction buffer (50 mM Tris pH 7.5, 10 mM MgCl2, 0.25 mM E...


US Patent US9776988 (2017)

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))
BDBM342472
PNG
(US9776988, Example 4)
Show SMILES COc1cc(CCc2cc(n[nH]2)-c2nc3ccc(cc3[nH]2)C(=O)NCCN2CCOCC2)cc(OC)c1
Show InChI InChI=1S/C27H30N6O4/c1-35-21-13-18(14-22(17-21)36-2)3-5-20-16-25(32-31-20)26-29-23-6-4-19(15-24(23)30-26)27(34)28-7-8-33-9-11-37-12-10-33/h4,6,13-17H,3,5,7-12H2,1-2H3,(H,28,34)/b26-25+
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n/an/a 82.9n/an/an/an/an/an/a



Celon Pharma S.A.

US Patent


Assay Description
The compounds were dissolved in 100% DMSO, and obtained solutions were serially diluted in reaction buffer (50 mM Tris pH 7.5, 10 mM MgCl2, 0.25 mM E...


US Patent US9776988 (2017)

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))
BDBM342463
PNG
(US9776988, Example 27)
Show SMILES COc1cc(CCc2cc(n[nH]2)-c2nc3ccc(cc3[nH]2)-c2ccn(CCN3CCOCC3)n2)cc(OC)c1
Show InChI InChI=1S/C29H31N7O3/c1-37-23-15-20(16-24(19-23)38-2)3-5-22-18-28(33-32-22)29-30-26-6-4-21(17-27(26)31-29)25-7-8-36(34-25)10-9-35-11-13-39-14-12-35/h4,6-8,15-19H,3,5,9-14H2,1-2H3/b29-28+
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n/an/a 88.1n/an/an/an/an/an/a



Celon Pharma S.A.

US Patent


Assay Description
The compounds were dissolved in 100% DMSO, and obtained solutions were serially diluted in reaction buffer (50 mM Tris pH 7.5, 10 mM MgCl2, 0.25 mM E...


US Patent US9776988 (2017)

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))
BDBM340013
PNG
(US9776988, Example 2)
Show SMILES COc1cc(CCc2cc(n[nH]2)-c2nc3cc(ccc3[nH]2)C(=O)N2CCOCC2)cc(OC)c1
Show InChI InChI=1S/C25H25N5O4/c1-32-19-11-16(12-20(15-19)33-2)3-5-18-14-23(29-28-18)24-26-21-6-4-17(13-22(21)27-24)25(31)30-7-9-34-10-8-30/h4,6,11-15H,3,5,7-10H2,1-2H3/b24-23-
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n/an/a 114n/an/an/an/an/an/a



Celon Pharma S.A.

US Patent


Assay Description
The compounds were dissolved in 100% DMSO, and obtained solutions were serially diluted in reaction buffer (50 mM Tris pH 7.5, 10 mM MgCl2, 0.25 mM E...


US Patent US9776988 (2017)

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))
BDBM342456
PNG
(US9776988, Example 14)
Show SMILES COc1cc(CCc2cc(n[nH]2)-c2nc3cc(CN4CCN(CCN5CCOCC5)CC4)ccc3[nH]2)cc(OC)c1
Show InChI InChI=1S/C31H39N7O3/c1-39-26-17-23(18-27(21-26)40-2)3-5-25-20-30(35-34-25)31-32-28-6-4-24(19-29(28)33-31)22-38-11-9-36(10-12-38)7-8-37-13-15-41-16-14-37/h4,6,17-21H,3,5,7-16,22H2,1-2H3/b31-30-
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n/an/a 125n/an/an/an/an/an/a



Celon Pharma S.A.

US Patent


Assay Description
The compounds were dissolved in 100% DMSO, and obtained solutions were serially diluted in reaction buffer (50 mM Tris pH 7.5, 10 mM MgCl2, 0.25 mM E...


US Patent US9776988 (2017)

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