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Compile Data Set for Download or QSAR

Found 119 hits Enz. Inhib. hit(s) with all data for entry = 2266   
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 (KDR)


(Homo sapiens (Human))
BDBM139601
PNG
(US8889870, 147 | US9820989, 147)
Show SMILES Cc1ccc(cc1N1CCc2nc(N)ncc2C1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H20F3N5O/c1-13-5-6-14(20(31)28-17-4-2-3-16(10-17)22(23,24)25)9-19(13)30-8-7-18-15(12-30)11-27-21(26)29-18/h2-6,9-11H,7-8,12H2,1H3,(H,28,31)(H2,26,27,29)
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8n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9820989 (2017)

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


(Homo sapiens (Human))
BDBM139623
PNG
(US8889870, 171 | US9388176, 171 | US9820989, 171)
Show SMILES COC(=O)c1cncc2CN(CCc12)c1cccc(c1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H20F3N3O3/c1-33-23(32)21-13-28-12-16-14-30(9-8-20(16)21)19-7-2-4-15(10-19)22(31)29-18-6-3-5-17(11-18)24(25,26)27/h2-7,10-13H,8-9,14H2,1H3,(H,29,31)
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8n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9820989 (2017)

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


(Homo sapiens (Human))
BDBM139608
PNG
(US8889870, 154 | US9388176, 154 | US9820989, 154)
Show SMILES CC(C)c1cccc(NC(=O)c2ccc(C)c(c2)N2CCc3ncncc3C2)c1
Show InChI InChI=1S/C24H26N4O/c1-16(2)18-5-4-6-21(11-18)27-24(29)19-8-7-17(3)23(12-19)28-10-9-22-20(14-28)13-25-15-26-22/h4-8,11-13,15-16H,9-10,14H2,1-3H3,(H,27,29)
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11n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9820989 (2017)

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


(Homo sapiens (Human))
BDBM139542
PNG
(US8889870, 2 | US9388176, 2 | US9820989, 2)
Show SMILES CC(C)c1cccc(NC(=O)c2cccc(c2)N2CCc3nc(N)ncc3C2)c1
Show InChI InChI=1S/C23H25N5O/c1-15(2)16-5-3-7-19(11-16)26-22(29)17-6-4-8-20(12-17)28-10-9-21-18(14-28)13-25-23(24)27-21/h3-8,11-13,15H,9-10,14H2,1-2H3,(H,26,29)(H2,24,25,27)
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12n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9820989 (2017)

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


(Homo sapiens (Human))
BDBM139545
PNG
(US8889870, 5 | US9388176, 5 | US9820989, 5)
Show SMILES Nc1ncc2CN(CCc2n1)c1cccc(c1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C21H18F3N5O/c22-21(23,24)15-4-2-5-16(10-15)27-19(30)13-3-1-6-17(9-13)29-8-7-18-14(12-29)11-26-20(25)28-18/h1-6,9-11H,7-8,12H2,(H,27,30)(H2,25,26,28)
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12n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9820989 (2017)

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


(Homo sapiens (Human))
BDBM139621
PNG
(US8889870, 169 | US9388176, 169 | US9820989, 169)
Show SMILES COC(=O)c1cncc2CN(CCc12)c1cccc(c1)C(=O)Nc1cccc(c1)C(C)C
Show InChI InChI=1S/C26H27N3O3/c1-17(2)18-6-4-8-21(12-18)28-25(30)19-7-5-9-22(13-19)29-11-10-23-20(16-29)14-27-15-24(23)26(31)32-3/h4-9,12-15,17H,10-11,16H2,1-3H3,(H,28,30)
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12n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9820989 (2017)

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


(Homo sapiens (Human))
BDBM139603
PNG
(US8889870, 149 | US9388176, 149 | US9820989, 149)
Show SMILES CC(C)c1cccc(NC(=O)c2ccc(C)c(c2)N2CCc3nc(N)ncc3C2)c1
Show InChI InChI=1S/C24H27N5O/c1-15(2)17-5-4-6-20(11-17)27-23(30)18-8-7-16(3)22(12-18)29-10-9-21-19(14-29)13-26-24(25)28-21/h4-8,11-13,15H,9-10,14H2,1-3H3,(H,27,30)(H2,25,26,28)
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14n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9820989 (2017)

More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta (PDGFR beta)


(Homo sapiens (Human))
BDBM139621
PNG
(US8889870, 169 | US9388176, 169 | US9820989, 169)
Show SMILES COC(=O)c1cncc2CN(CCc12)c1cccc(c1)C(=O)Nc1cccc(c1)C(C)C
Show InChI InChI=1S/C26H27N3O3/c1-17(2)18-6-4-8-21(12-18)28-25(30)19-7-5-9-22(13-19)29-11-10-23-20(16-29)14-27-15-24(23)26(31)32-3/h4-9,12-15,17H,10-11,16H2,1-3H3,(H,28,30)
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15n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9820989 (2017)

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


(Homo sapiens (Human))
BDBM139604
PNG
(US8889870, 150 | US9388176, 150 | US9820989, 150)
Show SMILES CC(C)c1cccc(NC(=O)c2cc(C)cc(c2)N2CCc3nc(N)ncc3C2)c1
Show InChI InChI=1S/C24H27N5O/c1-15(2)17-5-4-6-20(11-17)27-23(30)18-9-16(3)10-21(12-18)29-8-7-22-19(14-29)13-26-24(25)28-22/h4-6,9-13,15H,7-8,14H2,1-3H3,(H,27,30)(H2,25,26,28)
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17n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9820989 (2017)

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


(Homo sapiens (Human))
BDBM139605
PNG
(US8889870, 151 | US9388176, 151 | US9820989, 151)
Show SMILES FC(F)(F)c1cccc(NC(=O)c2cccc(c2)N2CCc3ncncc3C2)c1
Show InChI InChI=1S/C21H17F3N4O/c22-21(23,24)16-4-2-5-17(10-16)27-20(29)14-3-1-6-18(9-14)28-8-7-19-15(12-28)11-25-13-26-19/h1-6,9-11,13H,7-8,12H2,(H,27,29)
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19n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9820989 (2017)

More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta (PDGFR beta)


(Homo sapiens (Human))
BDBM139601
PNG
(US8889870, 147 | US9820989, 147)
Show SMILES Cc1ccc(cc1N1CCc2nc(N)ncc2C1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H20F3N5O/c1-13-5-6-14(20(31)28-17-4-2-3-16(10-17)22(23,24)25)9-19(13)30-8-7-18-15(12-30)11-27-21(26)29-18/h2-6,9-11H,7-8,12H2,1H3,(H,28,31)(H2,26,27,29)
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20n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9820989 (2017)

More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta (PDGFR beta)


(Homo sapiens (Human))
BDBM139542
PNG
(US8889870, 2 | US9388176, 2 | US9820989, 2)
Show SMILES CC(C)c1cccc(NC(=O)c2cccc(c2)N2CCc3nc(N)ncc3C2)c1
Show InChI InChI=1S/C23H25N5O/c1-15(2)16-5-3-7-19(11-16)26-22(29)17-6-4-8-20(12-17)28-10-9-21-18(14-28)13-25-23(24)27-21/h3-8,11-13,15H,9-10,14H2,1-2H3,(H,26,29)(H2,24,25,27)
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21n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9820989 (2017)

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


(Homo sapiens (Human))
BDBM139549
PNG
(US8889870, 9 | US9388176, 9 | US9820989, 9)
Show SMILES CCc1cccc(NC(=O)c2cccc(c2)N2CCc3nc(N)ncc3C2)c1
Show InChI InChI=1S/C22H23N5O/c1-2-15-5-3-7-18(11-15)25-21(28)16-6-4-8-19(12-16)27-10-9-20-17(14-27)13-24-22(23)26-20/h3-8,11-13H,2,9-10,14H2,1H3,(H,25,28)(H2,23,24,26)
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22n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9820989 (2017)

More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta (PDGFR beta)


(Homo sapiens (Human))
BDBM139552
PNG
(US8889870, 12 | US9388176, 12 | US9820989, 12)
Show SMILES CC(C)c1ccc(NC(=O)c2cccc(c2)N2CCc3nc(N)ncc3C2)cc1
Show InChI InChI=1S/C23H25N5O/c1-15(2)16-6-8-19(9-7-16)26-22(29)17-4-3-5-20(12-17)28-11-10-21-18(14-28)13-25-23(24)27-21/h3-9,12-13,15H,10-11,14H2,1-2H3,(H,26,29)(H2,24,25,27)
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24n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9820989 (2017)

More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta (PDGFR beta)


(Homo sapiens (Human))
BDBM139545
PNG
(US8889870, 5 | US9388176, 5 | US9820989, 5)
Show SMILES Nc1ncc2CN(CCc2n1)c1cccc(c1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C21H18F3N5O/c22-21(23,24)15-4-2-5-16(10-15)27-19(30)13-3-1-6-17(9-13)29-8-7-18-14(12-29)11-26-20(25)28-18/h1-6,9-11H,7-8,12H2,(H,27,30)(H2,25,26,28)
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26n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9820989 (2017)

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


(Homo sapiens (Human))
BDBM139552
PNG
(US8889870, 12 | US9388176, 12 | US9820989, 12)
Show SMILES CC(C)c1ccc(NC(=O)c2cccc(c2)N2CCc3nc(N)ncc3C2)cc1
Show InChI InChI=1S/C23H25N5O/c1-15(2)16-6-8-19(9-7-16)26-22(29)17-4-3-5-20(12-17)28-11-10-21-18(14-28)13-25-23(24)27-21/h3-9,12-13,15H,10-11,14H2,1-2H3,(H,26,29)(H2,24,25,27)
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27n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9820989 (2017)

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


(Homo sapiens (Human))
BDBM139602
PNG
(US8889870, 148 | US9388176, 148 | US9820989, 148)
Show SMILES Cc1cc(cc(c1)C(=O)Nc1cccc(c1)C(F)(F)F)N1CCc2nc(N)ncc2C1
Show InChI InChI=1S/C22H20F3N5O/c1-13-7-14(20(31)28-17-4-2-3-16(10-17)22(23,24)25)9-18(8-13)30-6-5-19-15(12-30)11-27-21(26)29-19/h2-4,7-11H,5-6,12H2,1H3,(H,28,31)(H2,26,27,29)
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27n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9820989 (2017)

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


(Homo sapiens (Human))
BDBM139628
PNG
(US8889870, 176 | US9388176, 176 | US9820989, 176)
Show SMILES Nc1ncc2CN(CCc2n1)c1cccc(c1)C(=O)Nc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H17F4N5O/c22-17-5-4-14(9-16(17)21(23,24)25)28-19(31)12-2-1-3-15(8-12)30-7-6-18-13(11-30)10-27-20(26)29-18/h1-5,8-10H,6-7,11H2,(H,28,31)(H2,26,27,29)
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27n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9820989 (2017)

More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta (PDGFR beta)


(Homo sapiens (Human))
BDBM139603
PNG
(US8889870, 149 | US9388176, 149 | US9820989, 149)
Show SMILES CC(C)c1cccc(NC(=O)c2ccc(C)c(c2)N2CCc3nc(N)ncc3C2)c1
Show InChI InChI=1S/C24H27N5O/c1-15(2)17-5-4-6-20(11-17)27-23(30)18-8-7-16(3)22(12-18)29-10-9-21-19(14-29)13-26-24(25)28-21/h4-8,11-13,15H,9-10,14H2,1-3H3,(H,27,30)(H2,25,26,28)
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30n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9820989 (2017)

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


(Homo sapiens (Human))
BDBM139599
PNG
(US8889870, 141 | US9820989, 141)
Show SMILES CC(C)c1cccc(NC(=O)c2ccc(C)c(c2)N2CCc3nc(CS)ncc3C2)c1
Show InChI InChI=1S/C25H28N4OS/c1-16(2)18-5-4-6-21(11-18)27-25(30)19-8-7-17(3)23(12-19)29-10-9-22-20(14-29)13-26-24(15-31)28-22/h4-8,11-13,16,31H,9-10,14-15H2,1-3H3,(H,27,30)
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31n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9820989 (2017)

More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta (PDGFR beta)


(Homo sapiens (Human))
BDBM139550
PNG
(US8889870, 10 | US9388176, 10 | US9820989, 10)
Show SMILES CCCc1ccc(NC(=O)c2cccc(c2)N2CCc3nc(N)ncc3C2)cc1
Show InChI InChI=1S/C23H25N5O/c1-2-4-16-7-9-19(10-8-16)26-22(29)17-5-3-6-20(13-17)28-12-11-21-18(15-28)14-25-23(24)27-21/h3,5-10,13-14H,2,4,11-12,15H2,1H3,(H,26,29)(H2,24,25,27)
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32n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9820989 (2017)

More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta (PDGFR beta)


(Homo sapiens (Human))
BDBM139618
PNG
(US8889870, 166 | US9388176, 166 | US9820989, 166)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(N3CCc4ccncc4C3)c(C)c2)c1
Show InChI InChI=1S/C23H24N4O/c1-16-4-3-5-20(12-16)25-23(28)26-21-6-7-22(17(2)13-21)27-11-9-18-8-10-24-14-19(18)15-27/h3-8,10,12-14H,9,11,15H2,1-2H3,(H2,25,26,28)
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36n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9820989 (2017)

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


(Homo sapiens (Human))
BDBM139620
PNG
(US8889870, 168 | US9388176, 168 | US9820989, 168)
Show SMILES CC(C)c1cccc(NC(=O)c2cccc(c2)N2CCc3ccncc3C2)c1
Show InChI InChI=1S/C24H25N3O/c1-17(2)19-5-3-7-22(13-19)26-24(28)20-6-4-8-23(14-20)27-12-10-18-9-11-25-15-21(18)16-27/h3-9,11,13-15,17H,10,12,16H2,1-2H3,(H,26,28)
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39n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9820989 (2017)

More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta (PDGFR beta)


(Homo sapiens (Human))
BDBM139620
PNG
(US8889870, 168 | US9388176, 168 | US9820989, 168)
Show SMILES CC(C)c1cccc(NC(=O)c2cccc(c2)N2CCc3ccncc3C2)c1
Show InChI InChI=1S/C24H25N3O/c1-17(2)19-5-3-7-22(13-19)26-24(28)20-6-4-8-23(14-20)27-12-10-18-9-11-25-15-21(18)16-27/h3-9,11,13-15,17H,10,12,16H2,1-2H3,(H,26,28)
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40n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9820989 (2017)

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


(Homo sapiens (Human))
BDBM139544
PNG
(US8889870, 4 | US9388176, 4 | US9820989, 4)
Show SMILES CC(C)(C)c1ccc(NC(=O)c2cccc(c2)N2CCc3nc(N)ncc3C2)cc1
Show InChI InChI=1S/C24H27N5O/c1-24(2,3)18-7-9-19(10-8-18)27-22(30)16-5-4-6-20(13-16)29-12-11-21-17(15-29)14-26-23(25)28-21/h4-10,13-14H,11-12,15H2,1-3H3,(H,27,30)(H2,25,26,28)
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41n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9820989 (2017)

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


(Homo sapiens (Human))
BDBM139626
PNG
(US8889870, 174 | US9388176, 174 | US9820989, 174)
Show SMILES COC(=O)CNC(=O)c1cncc2CN(CCc12)c1cccc(c1)C(=O)Nc1cccc(c1)C(C)C
Show InChI InChI=1S/C28H30N4O4/c1-18(2)19-6-4-8-22(12-19)31-27(34)20-7-5-9-23(13-20)32-11-10-24-21(17-32)14-29-15-25(24)28(35)30-16-26(33)36-3/h4-9,12-15,18H,10-11,16-17H2,1-3H3,(H,30,35)(H,31,34)
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49n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9820989 (2017)

More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta (PDGFR beta)


(Homo sapiens (Human))
BDBM139549
PNG
(US8889870, 9 | US9388176, 9 | US9820989, 9)
Show SMILES CCc1cccc(NC(=O)c2cccc(c2)N2CCc3nc(N)ncc3C2)c1
Show InChI InChI=1S/C22H23N5O/c1-2-15-5-3-7-18(11-15)25-21(28)16-6-4-8-19(12-16)27-10-9-20-17(14-27)13-24-22(23)26-20/h3-8,11-13H,2,9-10,14H2,1H3,(H,25,28)(H2,23,24,26)
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52n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9820989 (2017)

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


(Homo sapiens (Human))
BDBM139622
PNG
(US8889870, 170 | US9388176, 170 | US9820989, 170)
Show SMILES CC(C)c1cccc(NC(=O)c2cccc(c2)N2CCc3c(C2)cncc3C(O)=O)c1
Show InChI InChI=1S/C25H25N3O3/c1-16(2)17-5-3-7-20(11-17)27-24(29)18-6-4-8-21(12-18)28-10-9-22-19(15-28)13-26-14-23(22)25(30)31/h3-8,11-14,16H,9-10,15H2,1-2H3,(H,27,29)(H,30,31)
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54n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9820989 (2017)

More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta (PDGFR beta)


(Homo sapiens (Human))
BDBM139604
PNG
(US8889870, 150 | US9388176, 150 | US9820989, 150)
Show SMILES CC(C)c1cccc(NC(=O)c2cc(C)cc(c2)N2CCc3nc(N)ncc3C2)c1
Show InChI InChI=1S/C24H27N5O/c1-15(2)17-5-4-6-20(11-17)27-23(30)18-9-16(3)10-21(12-18)29-8-7-22-19(14-29)13-26-24(25)28-22/h4-6,9-13,15H,7-8,14H2,1-3H3,(H,27,30)(H2,25,26,28)
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59n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9820989 (2017)

More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta (PDGFR beta)


(Homo sapiens (Human))
BDBM139628
PNG
(US8889870, 176 | US9388176, 176 | US9820989, 176)
Show SMILES Nc1ncc2CN(CCc2n1)c1cccc(c1)C(=O)Nc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H17F4N5O/c22-17-5-4-14(9-16(17)21(23,24)25)28-19(31)12-2-1-3-15(8-12)30-7-6-18-13(11-30)10-27-20(26)29-18/h1-5,8-10H,6-7,11H2,(H,28,31)(H2,26,27,29)
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61n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9820989 (2017)

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


(Homo sapiens (Human))
BDBM139550
PNG
(US8889870, 10 | US9388176, 10 | US9820989, 10)
Show SMILES CCCc1ccc(NC(=O)c2cccc(c2)N2CCc3nc(N)ncc3C2)cc1
Show InChI InChI=1S/C23H25N5O/c1-2-4-16-7-9-19(10-8-16)26-22(29)17-5-3-6-20(13-17)28-12-11-21-18(15-28)14-25-23(24)27-21/h3,5-10,13-14H,2,4,11-12,15H2,1H3,(H,26,29)(H2,24,25,27)
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67n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9820989 (2017)

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


(Homo sapiens (Human))
BDBM139597
PNG
(US8889870, 139 | US9820989, 139)
Show SMILES Cc1ccc(cc1N1CCc2nc(CS)ncc2C1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H21F3N4OS/c1-14-5-6-15(22(31)28-18-4-2-3-17(10-18)23(24,25)26)9-20(14)30-8-7-19-16(12-30)11-27-21(13-32)29-19/h2-6,9-11,32H,7-8,12-13H2,1H3,(H,28,31)
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71n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9820989 (2017)

More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta (PDGFR beta)


(Homo sapiens (Human))
BDBM139546
PNG
(US8889870, 6 | US9388176, 6 | US9820989, 6)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)N2CCc3nc(N)ncc3C2)cc1
Show InChI InChI=1S/C21H21N5O/c1-14-5-7-17(8-6-14)24-20(27)15-3-2-4-18(11-15)26-10-9-19-16(13-26)12-23-21(22)25-19/h2-8,11-12H,9-10,13H2,1H3,(H,24,27)(H2,22,23,25)
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90n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9820989 (2017)

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


(Homo sapiens (Human))
BDBM139547
PNG
(US8889870, 7 | US9388176, 7 | US9820989, 7)
Show SMILES COc1cccc(NC(=O)c2cccc(c2)N2CCc3nc(N)ncc3C2)c1
Show InChI InChI=1S/C21H21N5O2/c1-28-18-7-3-5-16(11-18)24-20(27)14-4-2-6-17(10-14)26-9-8-19-15(13-26)12-23-21(22)25-19/h2-7,10-12H,8-9,13H2,1H3,(H,24,27)(H2,22,23,25)
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102n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9820989 (2017)

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


(Homo sapiens (Human))
BDBM139606
PNG
(US8889870, 152 | US9388176, 152 | US9820989, 152)
Show SMILES Cc1ccc(cc1N1CCc2ncncc2C1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H19F3N4O/c1-14-5-6-15(21(30)28-18-4-2-3-17(10-18)22(23,24)25)9-20(14)29-8-7-19-16(12-29)11-26-13-27-19/h2-6,9-11,13H,7-8,12H2,1H3,(H,28,30)
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104n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9820989 (2017)

More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta (PDGFR beta)


(Homo sapiens (Human))
BDBM139544
PNG
(US8889870, 4 | US9388176, 4 | US9820989, 4)
Show SMILES CC(C)(C)c1ccc(NC(=O)c2cccc(c2)N2CCc3nc(N)ncc3C2)cc1
Show InChI InChI=1S/C24H27N5O/c1-24(2,3)18-7-9-19(10-8-18)27-22(30)16-5-4-6-20(13-16)29-12-11-21-17(15-29)14-26-23(25)28-21/h4-10,13-14H,11-12,15H2,1-3H3,(H,27,30)(H2,25,26,28)
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109n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9820989 (2017)

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


(Homo sapiens (Human))
BDBM139543
PNG
(US8889870, 3 | US9388176, 3 | US9820989, 3)
Show SMILES Cc1cccc(NC(=O)c2cccc(c2)N2CCc3nc(N)ncc3C2)c1
Show InChI InChI=1S/C21H21N5O/c1-14-4-2-6-17(10-14)24-20(27)15-5-3-7-18(11-15)26-9-8-19-16(13-26)12-23-21(22)25-19/h2-7,10-12H,8-9,13H2,1H3,(H,24,27)(H2,22,23,25)
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114n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9820989 (2017)

More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta (PDGFR beta)


(Homo sapiens (Human))
BDBM139543
PNG
(US8889870, 3 | US9388176, 3 | US9820989, 3)
Show SMILES Cc1cccc(NC(=O)c2cccc(c2)N2CCc3nc(N)ncc3C2)c1
Show InChI InChI=1S/C21H21N5O/c1-14-4-2-6-17(10-14)24-20(27)15-5-3-7-18(11-15)26-9-8-19-16(13-26)12-23-21(22)25-19/h2-7,10-12H,8-9,13H2,1H3,(H,24,27)(H2,22,23,25)
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116n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9820989 (2017)

More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta (PDGFR beta)


(Homo sapiens (Human))
BDBM139548
PNG
(US8889870, 8 | US9388176, 8 | US9820989, 8)
Show SMILES CCc1ccc(NC(=O)c2cccc(c2)N2CCc3nc(N)ncc3C2)cc1
Show InChI InChI=1S/C22H23N5O/c1-2-15-6-8-18(9-7-15)25-21(28)16-4-3-5-19(12-16)27-11-10-20-17(14-27)13-24-22(23)26-20/h3-9,12-13H,2,10-11,14H2,1H3,(H,25,28)(H2,23,24,26)
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134n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9820989 (2017)

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


(Homo sapiens (Human))
BDBM139548
PNG
(US8889870, 8 | US9388176, 8 | US9820989, 8)
Show SMILES CCc1ccc(NC(=O)c2cccc(c2)N2CCc3nc(N)ncc3C2)cc1
Show InChI InChI=1S/C22H23N5O/c1-2-15-6-8-18(9-7-15)25-21(28)16-4-3-5-19(12-16)27-11-10-20-17(14-27)13-24-22(23)26-20/h3-9,12-13H,2,10-11,14H2,1H3,(H,25,28)(H2,23,24,26)
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145n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9820989 (2017)

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


(Homo sapiens (Human))
BDBM139613
PNG
(US8889870, 161 | US9388176, 161 | US9820989, 161)
Show SMILES CC(C)c1cccc(NC(=O)c2cncc(c2)N2CCc3nc(N)ncc3C2)c1
Show InChI InChI=1S/C22H24N6O/c1-14(2)15-4-3-5-18(8-15)26-21(29)16-9-19(12-24-10-16)28-7-6-20-17(13-28)11-25-22(23)27-20/h3-5,8-12,14H,6-7,13H2,1-2H3,(H,26,29)(H2,23,25,27)
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149n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9820989 (2017)

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


(Homo sapiens (Human))
BDBM139609
PNG
(US8889870, 155 | US9388176, 155 | US9820989, 155)
Show SMILES CC(C)c1cccc(NC(=O)c2cc(C)cc(c2)N2CCc3ncncc3C2)c1
Show InChI InChI=1S/C24H26N4O/c1-16(2)18-5-4-6-21(11-18)27-24(29)19-9-17(3)10-22(12-19)28-8-7-23-20(14-28)13-25-15-26-23/h4-6,9-13,15-16H,7-8,14H2,1-3H3,(H,27,29)
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159n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9820989 (2017)

More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta (PDGFR beta)


(Homo sapiens (Human))
BDBM139560
PNG
(US8889870, 20 | US9388176, 20 | US9820989, 20)
Show SMILES CC(C)(C)CCNC(=O)c1cccc(c1)N1CCc2nc(N)ncc2C1
Show InChI InChI=1S/C20H27N5O/c1-20(2,3)8-9-22-18(26)14-5-4-6-16(11-14)25-10-7-17-15(13-25)12-23-19(21)24-17/h4-6,11-12H,7-10,13H2,1-3H3,(H,22,26)(H2,21,23,24)
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164n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9820989 (2017)

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


(Homo sapiens (Human))
BDBM139625
PNG
(US8889870, 173 | US9388176, 173 | US9820989, 173)
Show SMILES CC(C)c1cccc(NC(=O)c2cccc(c2)N2CCc3c(C2)cncc3C(=O)NCCCO)c1
Show InChI InChI=1S/C28H32N4O3/c1-19(2)20-6-3-8-23(14-20)31-27(34)21-7-4-9-24(15-21)32-12-10-25-22(18-32)16-29-17-26(25)28(35)30-11-5-13-33/h3-4,6-9,14-17,19,33H,5,10-13,18H2,1-2H3,(H,30,35)(H,31,34)
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220n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9820989 (2017)

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


(Homo sapiens (Human))
BDBM139627
PNG
(US8889870, 175 | US9388176, 175 | US9820989, 175)
Show SMILES CC(C)c1cccc(NC(=O)c2cccc(c2)N2CCc3c(C2)cncc3C(=O)NCCCN2CCCC2)c1
Show InChI InChI=1S/C32H39N5O2/c1-23(2)24-8-5-10-27(18-24)35-31(38)25-9-6-11-28(19-25)37-17-12-29-26(22-37)20-33-21-30(29)32(39)34-13-7-16-36-14-3-4-15-36/h5-6,8-11,18-21,23H,3-4,7,12-17,22H2,1-2H3,(H,34,39)(H,35,38)
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230n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9820989 (2017)

More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta (PDGFR beta)


(Homo sapiens (Human))
BDBM139557
PNG
(US8889870, 17 | US9388176, 17 | US9820989, 17)
Show SMILES CC(C)(C)C1CCC(CC1)NC(=O)c1cccc(c1)N1CCc2nc(N)ncc2C1 |(9.34,-.77,;8,-1.54,;8,-3.08,;9.34,-2.31,;6.67,-.77,;5.33,-1.54,;4,-.77,;4,.77,;5.33,1.54,;6.67,.77,;2.67,1.54,;1.33,.77,;1.33,-.77,;,1.54,;,3.08,;-1.33,3.85,;-2.67,3.08,;-2.67,1.54,;-1.33,.77,;-4,.77,;-5.33,1.54,;-6.67,.77,;-6.67,-.77,;-8,-1.54,;-8,-3.08,;-9.34,-3.85,;-6.67,-3.85,;-5.33,-3.08,;-5.33,-1.54,;-4,-.77,)|
Show InChI InChI=1S/C24H33N5O/c1-24(2,3)18-7-9-19(10-8-18)27-22(30)16-5-4-6-20(13-16)29-12-11-21-17(15-29)14-26-23(25)28-21/h4-6,13-14,18-19H,7-12,15H2,1-3H3,(H,27,30)(H2,25,26,28)
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246n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9820989 (2017)

More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta (PDGFR beta)


(Homo sapiens (Human))
BDBM139602
PNG
(US8889870, 148 | US9388176, 148 | US9820989, 148)
Show SMILES Cc1cc(cc(c1)C(=O)Nc1cccc(c1)C(F)(F)F)N1CCc2nc(N)ncc2C1
Show InChI InChI=1S/C22H20F3N5O/c1-13-7-14(20(31)28-17-4-2-3-16(10-17)22(23,24)25)9-18(8-13)30-6-5-19-15(12-30)11-27-21(26)29-19/h2-4,7-11H,5-6,12H2,1H3,(H,28,31)(H2,26,27,29)
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273n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9820989 (2017)

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


(Homo sapiens (Human))
BDBM139557
PNG
(US8889870, 17 | US9388176, 17 | US9820989, 17)
Show SMILES CC(C)(C)C1CCC(CC1)NC(=O)c1cccc(c1)N1CCc2nc(N)ncc2C1 |(9.34,-.77,;8,-1.54,;8,-3.08,;9.34,-2.31,;6.67,-.77,;5.33,-1.54,;4,-.77,;4,.77,;5.33,1.54,;6.67,.77,;2.67,1.54,;1.33,.77,;1.33,-.77,;,1.54,;,3.08,;-1.33,3.85,;-2.67,3.08,;-2.67,1.54,;-1.33,.77,;-4,.77,;-5.33,1.54,;-6.67,.77,;-6.67,-.77,;-8,-1.54,;-8,-3.08,;-9.34,-3.85,;-6.67,-3.85,;-5.33,-3.08,;-5.33,-1.54,;-4,-.77,)|
Show InChI InChI=1S/C24H33N5O/c1-24(2,3)18-7-9-19(10-8-18)27-22(30)16-5-4-6-20(13-16)29-12-11-21-17(15-29)14-26-23(25)28-21/h4-6,13-14,18-19H,7-12,15H2,1-3H3,(H,27,30)(H2,25,26,28)
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307n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9820989 (2017)

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


(Homo sapiens (Human))
BDBM139618
PNG
(US8889870, 166 | US9388176, 166 | US9820989, 166)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(N3CCc4ccncc4C3)c(C)c2)c1
Show InChI InChI=1S/C23H24N4O/c1-16-4-3-5-20(12-16)25-23(28)26-21-6-7-22(17(2)13-21)27-11-9-18-8-10-24-14-19(18)15-27/h3-8,10,12-14H,9,11,15H2,1-2H3,(H2,25,26,28)
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308n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9820989 (2017)

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


(Homo sapiens (Human))
BDBM139624
PNG
(US8889870, 172 | US9388176, 172 | US9820989, 172)
Show SMILES CC(C)c1cccc(NC(=O)c2cccc(c2)N2CCc3c(C2)cncc3C(=O)NCCCN2CCOCC2)c1
Show InChI InChI=1S/C32H39N5O3/c1-23(2)24-6-3-8-27(18-24)35-31(38)25-7-4-9-28(19-25)37-13-10-29-26(22-37)20-33-21-30(29)32(39)34-11-5-12-36-14-16-40-17-15-36/h3-4,6-9,18-21,23H,5,10-17,22H2,1-2H3,(H,34,39)(H,35,38)
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367n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9820989 (2017)

More data for this
Ligand-Target Pair
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