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Compile Data Set for Download or QSAR

Found 4925 hits Enz. Inhib. hit(s) with Target = 'Platelet-derived growth factor receptor'   
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
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50381716
PNG
(ABT-348 | ILORASERTIB | US8722890, 1 | US8722890, ...)
Show SMILES Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
Show InChI InChI=1S/C25H21FN6O2S/c26-17-2-1-3-19(10-17)31-25(34)30-18-6-4-15(5-7-18)21-14-35-23-20(12-28-24(27)22(21)23)16-11-29-32(13-16)8-9-33/h1-7,10-14,33H,8-9H2,(H2,27,28)(H2,30,31,34)
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0.794n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PDGFRA


ACS Med Chem Lett 3: 383-386 (2012)


Article DOI: 10.1021/ml300012r
BindingDB Entry DOI: 10.7270/Q2B56KTH
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50237710
PNG
(4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
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2n/an/an/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 103: 3153-8 (2006)


Article DOI: 10.1073/pnas.0511292103
BindingDB Entry DOI: 10.7270/Q21Z430B
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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2n/an/an/an/an/an/an/an/a



Qilu Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Binding affinity to VEGFR1 (unknown origin)


Eur J Med Chem 82: 139-51 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.051
BindingDB Entry DOI: 10.7270/Q2F1918D
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM13530
PNG
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
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2n/an/an/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 103: 3153-8 (2006)


Article DOI: 10.1073/pnas.0511292103
BindingDB Entry DOI: 10.7270/Q21Z430B
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50237710
PNG
(4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
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2n/an/an/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 103: 3153-8 (2006)


Article DOI: 10.1073/pnas.0511292103
BindingDB Entry DOI: 10.7270/Q21Z430B
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50388873
PNG
(CHEMBL1964441)
Show SMILES CNCC#Cc1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
Show InChI InChI=1S/C25H23N5OS/c1-16-5-3-7-20(13-16)30-25(31)29-19-10-8-17(9-11-19)21-15-32-23-18(6-4-12-27-2)14-28-24(26)22(21)23/h3,5,7-11,13-15,27H,12H2,1-2H3,(H2,26,28)(H2,29,30,31)
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2.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PDGFRA


ACS Med Chem Lett 3: 383-386 (2012)


Article DOI: 10.1021/ml300012r
BindingDB Entry DOI: 10.7270/Q2B56KTH
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM13530
PNG
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
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3n/an/an/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 103: 3153-8 (2006)


Article DOI: 10.1073/pnas.0511292103
BindingDB Entry DOI: 10.7270/Q21Z430B
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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8n/an/an/an/an/an/an/an/a



Qilu Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Binding affinity to PDGFR-beta (unknown origin)


Eur J Med Chem 82: 139-51 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.051
BindingDB Entry DOI: 10.7270/Q2F1918D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50402020
PNG
(CHEMBL2205426)
Show SMILES CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccncc3)n2)c(=O)c1=O
Show InChI InChI=1S/C23H22N6O2/c1-23(2,3)29-19-18(20(30)21(19)31)27-17-10-13-25-22(28-17)26-16-6-4-14(5-7-16)15-8-11-24-12-9-15/h4-13,29H,1-3H3,(H2,25,26,27,28)
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14n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant FLT1 after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP


Bioorg Med Chem Lett 22: 7615-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.009
BindingDB Entry DOI: 10.7270/Q2XK8GQ3
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
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50020310
PNG
(CHEMBL3288854)
Show SMILES CN1CCN(CCC(=O)Nc2c(C)[nH]c(\C=C3/C(=O)Nc4ccc(F)cc34)c2C)CC1
Show InChI InChI=1S/C23H28FN5O2/c1-14-20(13-18-17-12-16(24)4-5-19(17)26-23(18)31)25-15(2)22(14)27-21(30)6-7-29-10-8-28(3)9-11-29/h4-5,12-13,25H,6-11H2,1-3H3,(H,26,31)(H,27,30)/b18-13-
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19n/an/an/an/an/an/an/an/a



Qilu Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Binding affinity to PDGFR-beta (unknown origin)


Eur J Med Chem 82: 139-51 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.051
BindingDB Entry DOI: 10.7270/Q2F1918D
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
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
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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
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
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
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
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
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50381703
PNG
(CHEMBL1970317)
Show SMILES Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(F)c2)cc1
Show InChI InChI=1S/C24H19FN6OS/c1-31-12-15(10-28-31)19-11-27-23(26)21-20(13-33-22(19)21)14-5-7-17(8-6-14)29-24(32)30-18-4-2-3-16(25)9-18/h2-13H,1H3,(H2,26,27)(H2,29,30,32)
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50n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PDGFRA


ACS Med Chem Lett 3: 383-386 (2012)


Article DOI: 10.1021/ml300012r
BindingDB Entry DOI: 10.7270/Q2B56KTH
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
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
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50184807
PNG
((R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-me...)
Show SMILES C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
Show InChI InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1
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60n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against VEGFR1


J Med Chem 49: 2143-6 (2006)


Article DOI: 10.1021/jm051106d
BindingDB Entry DOI: 10.7270/Q2WW7H7N
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
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
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 1


(Homo sapiens (Human))
BDBM50221531
PNG
(6-methoxy-7-(3-(4-methylpiperazin-1-yl)propoxy)-4-...)
Show SMILES COc1cc2c(N[C@@H]3C[C@H]3c3ccccc3)c(cnc2cc1OCCCN1CCN(C)CC1)C#N
Show InChI InChI=1S/C28H33N5O2/c1-32-10-12-33(13-11-32)9-6-14-35-27-17-24-23(16-26(27)34-2)28(21(18-29)19-30-24)31-25-15-22(25)20-7-4-3-5-8-20/h3-5,7-8,16-17,19,22,25H,6,9-15H2,1-2H3,(H,30,31)/t22-,25+/m0/s1
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110n/an/an/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Flt1


Bioorg Med Chem Lett 17: 5978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.071
BindingDB Entry DOI: 10.7270/Q2VM4C0N
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
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
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50355491
PNG
(CHEMBL1835870)
Show SMILES Nc1nc(Nc2ccc(cc2)[C@H]2CC[C@@H](CC2)N2CCOCC2)nn1-c1ccccn1 |r,wU:11.11,wD:14.18,(-9.05,.18,;-7.58,.64,;-7.09,2.1,;-5.55,2.08,;-4.8,3.43,;-3.26,3.44,;-2.48,2.12,;-.94,2.14,;-.18,3.48,;-.98,4.81,;-2.52,4.79,;1.35,3.5,;2.1,4.85,;3.65,4.86,;4.44,3.53,;3.68,2.19,;2.14,2.18,;5.97,3.55,;6.75,2.22,;8.29,2.23,;9.05,3.57,;8.27,4.9,;6.73,4.89,;-5.09,.62,;-6.35,-.28,;-6.36,-1.81,;-5.04,-2.59,;-5.05,-4.13,;-6.39,-4.89,;-7.72,-4.11,;-7.71,-2.57,)|
Show InChI InChI=1S/C23H29N7O/c24-22-27-23(28-30(22)21-3-1-2-12-25-21)26-19-8-4-17(5-9-19)18-6-10-20(11-7-18)29-13-15-31-16-14-29/h1-5,8-9,12,18,20H,6-7,10-11,13-16H2,(H3,24,26,27,28)/t18-,20-
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200n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of PDGFR-beta


J Med Chem 55: 725-34 (2012)


Article DOI: 10.1021/jm201198w
BindingDB Entry DOI: 10.7270/Q2GQ6Z6R
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 1


(Homo sapiens (Human))
BDBM50221516
PNG
(6-methoxy-7-(3-morpholinopropoxy)-4-((1R,2S)-2-phe...)
Show SMILES COc1cc2c(N[C@@H]3C[C@H]3c3ccccc3)c(cnc2cc1OCCCN1CCOCC1)C#N
Show InChI InChI=1S/C27H30N4O3/c1-32-25-15-22-23(16-26(25)34-11-5-8-31-9-12-33-13-10-31)29-18-20(17-28)27(22)30-24-14-21(24)19-6-3-2-4-7-19/h2-4,6-7,15-16,18,21,24H,5,8-14H2,1H3,(H,29,30)/t21-,24+/m0/s1
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350n/an/an/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Flt1


Bioorg Med Chem Lett 17: 5978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.071
BindingDB Entry DOI: 10.7270/Q2VM4C0N
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50224883
PNG
(7-chloro-3-oxo-8-[(thiazol-5-ylmethyl)-amino]-11,1...)
Show SMILES Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3
Show InChI InChI=1S/C20H18ClN7O3S/c21-13-5-15-17(6-14(13)24-9-12-8-23-11-32-12)30-3-1-2-4-31-19-16(7-22)25-10-18(27-19)28-20(29)26-15/h5-6,8,10-11,24H,1-4,9H2,(H2,26,27,28,29)
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>440n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLT1


Bioorg Med Chem Lett 17: 6593-601 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.063
BindingDB Entry DOI: 10.7270/Q2X067WT
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta (PDGFR beta)


(Homo sapiens (Human))
BDBM139558
PNG
(US8889870, 18 | US9388176, 18 | US9820989, 18)
Show SMILES Nc1ncc2CN(CCc2n1)c1cccc(c1)C(=O)NCC1CCCCC1
Show InChI InChI=1S/C21H27N5O/c22-21-24-13-17-14-26(10-9-19(17)25-21)18-8-4-7-16(11-18)20(27)23-12-15-5-2-1-3-6-15/h4,7-8,11,13,15H,1-3,5-6,9-10,12,14H2,(H,23,27)(H2,22,24,25)
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602n/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 1


(Homo sapiens (Human))
BDBM50221527
PNG
(7-methoxy-6-(3-morpholinopropoxy)-4-((1R,2S)-2-phe...)
Show SMILES COc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C27H30N4O3/c1-32-25-16-23-22(15-26(25)34-11-5-8-31-9-12-33-13-10-31)27(20(17-28)18-29-23)30-24-14-21(24)19-6-3-2-4-7-19/h2-4,6-7,15-16,18,21,24H,5,8-14H2,1H3,(H,29,30)/t21-,24+/m0/s1
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910n/an/an/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Flt1


Bioorg Med Chem Lett 17: 5978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.071
BindingDB Entry DOI: 10.7270/Q2VM4C0N
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50221529
PNG
(7-(4-(morpholinomethyl)phenyl)-4-((1R,2S)-2-phenyl...)
Show SMILES N#Cc1cnc2cc(ccc2c1N[C@@H]1C[C@H]1c1ccccc1)-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C30H28N4O/c31-18-25-19-32-28-16-24(22-8-6-21(7-9-22)20-34-12-14-35-15-13-34)10-11-26(28)30(25)33-29-17-27(29)23-4-2-1-3-5-23/h1-11,16,19,27,29H,12-15,17,20H2,(H,32,33)/t27-,29+/m0/s1
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920n/an/an/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Flt1


Bioorg Med Chem Lett 17: 5978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.071
BindingDB Entry DOI: 10.7270/Q2VM4C0N
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta (PDGFR beta)


(Homo sapiens (Human))
BDBM139561
PNG
(US8889870, 21 | US9388176, 21 | US9820989, 21)
Show SMILES CCN(CC)C(=O)c1cccc(c1)N1CCc2nc(N)ncc2C1
Show InChI InChI=1S/C18H23N5O/c1-3-22(4-2)17(24)13-6-5-7-15(10-13)23-9-8-16-14(12-23)11-20-18(19)21-16/h5-7,10-11H,3-4,8-9,12H2,1-2H3,(H2,19,20,21)
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>1.00E+3n/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))
BDBM139617
PNG
(US8889870, 165 | US9388176, 165 | US9820989, 165)
Show SMILES Cc1ccc(NC(=O)Nc2ccc(cc2)N2CCc3ccncc3C2)cc1
Show InChI InChI=1S/C22H22N4O/c1-16-2-4-19(5-3-16)24-22(27)25-20-6-8-21(9-7-20)26-13-11-17-10-12-23-14-18(17)15-26/h2-10,12,14H,11,13,15H2,1H3,(H2,24,25,27)
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>1.00E+3n/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


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
BindingDB Entry DOI: 10.7270/Q2KH0NPW
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta (PDGFR beta)


(Homo sapiens (Human))
BDBM139551
PNG
(US8889870, 11 | US9388176, 11 | US9820989, 11)
Show SMILES CN1CCC(CC1)Oc1ccc(NC(=O)c2cccc(c2)N2CCc3nc(N)ncc3C2)cc1
Show InChI InChI=1S/C26H30N6O2/c1-31-12-9-23(10-13-31)34-22-7-5-20(6-8-22)29-25(33)18-3-2-4-21(15-18)32-14-11-24-19(17-32)16-28-26(27)30-24/h2-8,15-16,23H,9-14,17H2,1H3,(H,29,33)(H2,27,28,30)
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>1.00E+3n/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))
BDBM139619
PNG
(US8889870, 167 | US9388176, 167 | US9820989, 167)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2C)N2CCc3ccncc3C2)c1
Show InChI InChI=1S/C23H24N4O/c1-16-4-3-5-20(12-16)25-23(28)26-22-7-6-21(13-17(22)2)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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1.05E+3n/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 1


(Homo sapiens (Human))
BDBM50020310
PNG
(CHEMBL3288854)
Show SMILES CN1CCN(CCC(=O)Nc2c(C)[nH]c(\C=C3/C(=O)Nc4ccc(F)cc34)c2C)CC1
Show InChI InChI=1S/C23H28FN5O2/c1-14-20(13-18-17-12-16(24)4-5-19(17)26-23(18)31)25-15(2)22(14)27-21(30)6-7-29-10-8-28(3)9-11-29/h4-5,12-13,25H,6-11H2,1-3H3,(H,26,31)(H,27,30)/b18-13-
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1.10E+3n/an/an/an/an/an/an/an/a



Qilu Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Binding affinity to VEGFR1 (unknown origin)


Eur J Med Chem 82: 139-51 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.051
BindingDB Entry DOI: 10.7270/Q2F1918D
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta (PDGFR beta)


(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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1.24E+3n/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 1


(Homo sapiens (Human))
BDBM50221522
PNG
(6-(4-(aminomethyl)phenyl)-4-((1R,2S)-2-phenylcyclo...)
Show SMILES NCc1ccc(cc1)-c1ccc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2c1
Show InChI InChI=1S/C26H22N4/c27-14-17-6-8-18(9-7-17)20-10-11-24-23(12-20)26(21(15-28)16-29-24)30-25-13-22(25)19-4-2-1-3-5-19/h1-12,16,22,25H,13-14,27H2,(H,29,30)/t22-,25+/m0/s1
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1.40E+3n/an/an/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Flt1


Bioorg Med Chem Lett 17: 5978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.071
BindingDB Entry DOI: 10.7270/Q2VM4C0N
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50221519
PNG
(6-methoxy-7-(1-methylpiperidin-4-yloxy)-4-((1R,2S)...)
Show SMILES COc1cc2c(N[C@@H]3C[C@H]3c3ccccc3)c(cnc2cc1OC1CCN(C)CC1)C#N
Show InChI InChI=1S/C26H28N4O2/c1-30-10-8-19(9-11-30)32-25-14-22-21(13-24(25)31-2)26(18(15-27)16-28-22)29-23-12-20(23)17-6-4-3-5-7-17/h3-7,13-14,16,19-20,23H,8-12H2,1-2H3,(H,28,29)/t20-,23+/m0/s1
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1.50E+3n/an/an/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Flt1


Bioorg Med Chem Lett 17: 5978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.071
BindingDB Entry DOI: 10.7270/Q2VM4C0N
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta (PDGFR beta)


(Homo sapiens (Human))
BDBM139615
PNG
(US8889870, 163 | US9388176, 163 | US9820989, 163)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)N2CCc3ccncc3C2)c1
Show InChI InChI=1S/C22H22N4O/c1-16-3-2-4-20(13-16)25-22(27)24-19-5-7-21(8-6-19)26-12-10-17-9-11-23-14-18(17)15-26/h2-9,11,13-14H,10,12,15H2,1H3,(H2,24,25,27)
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1.56E+3n/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 1


(Homo sapiens (Human))
BDBM50221518
PNG
(6,7-dimethoxy-4-((1R,2S)-2-phenylcyclopropylamino)...)
Show SMILES COc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OC
Show InChI InChI=1S/C21H19N3O2/c1-25-19-9-16-17(10-20(19)26-2)23-12-14(11-22)21(16)24-18-8-15(18)13-6-4-3-5-7-13/h3-7,9-10,12,15,18H,8H2,1-2H3,(H,23,24)/t15-,18+/m0/s1
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1.60E+3n/an/an/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Flt1


Bioorg Med Chem Lett 17: 5978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.071
BindingDB Entry DOI: 10.7270/Q2VM4C0N
More data for this
Ligand-Target Pair
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