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39 similar compounds to monomer 13530

Wt: 507.5
BDBM86626
Wt: 472.9
BDBM106558
Wt: 486.9
BDBM106559
Wt: 464.5
BDBM106563
Wt: 464.5
BDBM106566
Wt: 450.4
BDBM106567
Wt: 382.4
BDBM50132705
Wt: 396.4
BDBM50132709
Wt: 395.4
BDBM50175491
Wt: 367.4
BDBM50175493
Wt: 572.4
BDBM50178611
Wt: 561.6
BDBM50178615
Wt: 511.5
BDBM50178617
Wt: 521.4
BDBM50215558
Wt: 535.4
BDBM50215560
Displayed 1 to 15 (of 39 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 64 hits for monomerid = 86626,106558,106559,106563,106566,106567,50132705,50132709,50175491,50175493,50178611,50178615,50178617,50215558,50215560   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50132705
PNG
(4-Amino-N-[3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-...)
Show SMILES Nc1ccc(cc1)C(=O)Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C22H18N6O/c23-17-8-6-15(7-9-17)21(29)26-18-4-1-5-19(13-18)27-22-25-12-10-20(28-22)16-3-2-11-24-14-16/h1-14H,23H2,(H,26,29)(H,25,27,28)
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n/an/a 4.89E+3n/an/an/an/an/an/a



McGill University/Royal Victoria Hospital

Curated by ChEMBL


Assay Description
Inhibition of Abl tyrosine kinase


Bioorg Med Chem Lett 13: 3297-300 (2003)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM86626
PNG
(JNK-IN-1)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C29H29N7O2/c1-20-8-11-24(18-26(20)35-29-31-16-14-25(34-29)22-6-4-15-30-19-22)33-28(38)21-9-12-23(13-10-21)32-27(37)7-5-17-36(2)3/h4-16,18-19H,17H2,1-3H3,(H,32,37)(H,33,38)(H,31,34,35)/b7-5+
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n/an/a 4.23E+3n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of JNK2 (unknown origin) after 1 hr incubation


J Med Chem 58: 72-95 (2015)

More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM50175493
PNG
(CHEMBL277931 | N-[3-(4-Pyridin-3-yl-pyrimidin-2-yl...)
Show SMILES O=C(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)c1ccccc1
Show InChI InChI=1S/C22H17N5O/c28-21(16-6-2-1-3-7-16)25-18-9-4-10-19(14-18)26-22-24-13-11-20(27-22)17-8-5-12-23-15-17/h1-15H,(H,25,28)(H,24,26,27)
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n/an/a 1.57E+4n/an/an/an/an/an/a



Organon Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Src kinase


J Med Chem 48: 6523-43 (2005)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50175491
PNG
(4-Methyl-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2...)
Show SMILES Cc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C24H21N5O/c1-16-5-8-18(9-6-16)23(30)27-20-10-7-17(2)22(14-20)29-24-26-13-11-21(28-24)19-4-3-12-25-15-19/h3-15H,1-2H3,(H,27,30)(H,26,28,29)
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n/an/a 20n/an/an/an/an/an/a



Organon Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against v-Abl tyrosine kinase


J Med Chem 48: 6523-43 (2005)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50175493
PNG
(CHEMBL277931 | N-[3-(4-Pyridin-3-yl-pyrimidin-2-yl...)
Show SMILES O=C(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)c1ccccc1
Show InChI InChI=1S/C22H17N5O/c28-21(16-6-2-1-3-7-16)25-18-9-4-10-19(14-18)26-22-24-13-11-20(27-22)17-8-5-12-23-15-17/h1-15H,(H,25,28)(H,24,26,27)
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n/an/a 400n/an/an/an/an/an/a



Organon Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against v-Abl tyrosine kinase


J Med Chem 48: 6523-43 (2005)

More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM50175491
PNG
(4-Methyl-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2...)
Show SMILES Cc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C24H21N5O/c1-16-5-8-18(9-6-16)23(30)27-20-10-7-17(2)22(14-20)29-24-26-13-11-21(28-24)19-4-3-12-25-15-19/h3-15H,1-2H3,(H,27,30)(H,26,28,29)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Organon Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Src kinase


J Med Chem 48: 6523-43 (2005)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50132709
PNG
(4-Amino-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2-...)
Show SMILES Cc1ccc(NC(=O)c2ccc(N)cc2)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C23H20N6O/c1-15-4-9-19(27-22(30)16-5-7-18(24)8-6-16)13-21(15)29-23-26-12-10-20(28-23)17-3-2-11-25-14-17/h2-14H,24H2,1H3,(H,27,30)(H,26,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



McGill University/Royal Victoria Hospital

Curated by ChEMBL


Assay Description
Inhibition of c-Abl


Bioorg Med Chem Lett 17: 4248-53 (2007)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50215558
PNG
(4-(bis(2-chloroethyl)amino)-N-(4-methyl-3-(4-(pyri...)
Show SMILES Cc1ccc(NC(=O)c2ccc(cc2)N(CCCl)CCCl)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C27H26Cl2N6O/c1-19-4-7-22(32-26(36)20-5-8-23(9-6-20)35(15-11-28)16-12-29)17-25(19)34-27-31-14-10-24(33-27)21-3-2-13-30-18-21/h2-10,13-14,17-18H,11-12,15-16H2,1H3,(H,32,36)(H,31,33,34)
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n/an/a 220n/an/an/an/an/an/a



McGill University/Royal Victoria Hospital

Curated by ChEMBL


Assay Description
Inhibition of c-Abl


Bioorg Med Chem Lett 17: 4248-53 (2007)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50215560
PNG
(4-((bis(2-chloroethyl)amino)methyl)-N-(4-methyl-3-...)
Show SMILES Cc1ccc(NC(=O)c2ccc(CN(CCCl)CCCl)cc2)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C28H28Cl2N6O/c1-20-4-9-24(17-26(20)35-28-32-14-10-25(34-28)23-3-2-13-31-18-23)33-27(37)22-7-5-21(6-8-22)19-36(15-11-29)16-12-30/h2-10,13-14,17-18H,11-12,15-16,19H2,1H3,(H,33,37)(H,32,34,35)
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n/an/a>1.00E+4n/an/an/an/an/an/a



McGill University/Royal Victoria Hospital

Curated by ChEMBL


Assay Description
Inhibition of c-Abl


Bioorg Med Chem Lett 17: 4248-53 (2007)

More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50178611
PNG
(3-bromo-N-(4-methyl-3-(4-(pyridin-3-yl)pyrimidin-2...)
Show SMILES CN1CCN(Cc2ccc(cc2Br)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H30BrN7O/c1-20-5-8-24(17-27(20)35-29-32-11-9-26(34-29)22-4-3-10-31-18-22)33-28(38)21-6-7-23(25(30)16-21)19-37-14-12-36(2)13-15-37/h3-11,16-18H,12-15,19H2,1-2H3,(H,33,38)(H,32,34,35)
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n/an/a 3.10n/an/an/an/an/an/a



Nippon Shinyaku Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human Lyn kinase expressed in Sf9 cells


Bioorg Med Chem Lett 17: 2712-7 (2007)

More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50178617
PNG
(3-fluoro-N-(4-methyl-3-(4-(pyridin-3-yl)pyrimidin-...)
Show SMILES CN1CCN(Cc2ccc(cc2F)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H30FN7O/c1-20-5-8-24(17-27(20)35-29-32-11-9-26(34-29)22-4-3-10-31-18-22)33-28(38)21-6-7-23(25(30)16-21)19-37-14-12-36(2)13-15-37/h3-11,16-18H,12-15,19H2,1-2H3,(H,33,38)(H,32,34,35)
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n/an/a 35n/an/an/an/an/an/a



Nippon Shinyaku Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human Lyn kinase expressed in Sf9 cells


Bioorg Med Chem Lett 17: 2712-7 (2007)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50178615
PNG
(CHEMBL203343 | N-(4-methyl-3-(4-(pyridin-3-yl)pyri...)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C30H30F3N7O/c1-20-5-8-24(17-27(20)38-29-35-11-9-26(37-29)22-4-3-10-34-18-22)36-28(41)21-6-7-23(25(16-21)30(31,32)33)19-40-14-12-39(2)13-15-40/h3-11,16-18H,12-15,19H2,1-2H3,(H,36,41)(H,35,37,38)
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n/an/a 5.10n/an/an/an/an/an/a



Nippon Shinyaku Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human Abl kinase expressed in Sf9 cells


Bioorg Med Chem Lett 17: 2712-7 (2007)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50178611
PNG
(3-bromo-N-(4-methyl-3-(4-(pyridin-3-yl)pyrimidin-2...)
Show SMILES CN1CCN(Cc2ccc(cc2Br)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H30BrN7O/c1-20-5-8-24(17-27(20)35-29-32-11-9-26(34-29)22-4-3-10-31-18-22)33-28(38)21-6-7-23(25(30)16-21)19-37-14-12-36(2)13-15-37/h3-11,16-18H,12-15,19H2,1-2H3,(H,33,38)(H,32,34,35)
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n/an/a 12n/an/an/an/an/an/a



Nippon Shinyaku Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human Abl kinase expressed in Sf9 cells


Bioorg Med Chem Lett 17: 2712-7 (2007)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50178617
PNG
(3-fluoro-N-(4-methyl-3-(4-(pyridin-3-yl)pyrimidin-...)
Show SMILES CN1CCN(Cc2ccc(cc2F)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H30FN7O/c1-20-5-8-24(17-27(20)35-29-32-11-9-26(34-29)22-4-3-10-31-18-22)33-28(38)21-6-7-23(25(30)16-21)19-37-14-12-36(2)13-15-37/h3-11,16-18H,12-15,19H2,1-2H3,(H,33,38)(H,32,34,35)
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n/an/a 120n/an/an/an/an/an/a



Nippon Shinyaku Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human Abl kinase expressed in Sf9 cells


Bioorg Med Chem Lett 17: 2712-7 (2007)

More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50178615
PNG
(CHEMBL203343 | N-(4-methyl-3-(4-(pyridin-3-yl)pyri...)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C30H30F3N7O/c1-20-5-8-24(17-27(20)38-29-35-11-9-26(37-29)22-4-3-10-34-18-22)36-28(41)21-6-7-23(25(16-21)30(31,32)33)19-40-14-12-39(2)13-15-40/h3-11,16-18H,12-15,19H2,1-2H3,(H,36,41)(H,35,37,38)
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n/an/a 4.80n/an/an/an/an/an/a



Nippon Shinyaku Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human Lyn kinase expressed in Sf9 cells


Bioorg Med Chem Lett 17: 2712-7 (2007)

More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (human))
BDBM50175493
PNG
(CHEMBL277931 | N-[3-(4-Pyridin-3-yl-pyrimidin-2-yl...)
Show SMILES O=C(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)c1ccccc1
Show InChI InChI=1S/C22H17N5O/c28-21(16-6-2-1-3-7-16)25-18-9-4-10-19(14-18)26-22-24-13-11-20(27-22)17-8-5-12-23-15-17/h1-15H,(H,25,28)(H,24,26,27)
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n/an/a 1.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of serine/threonine kinase(PKC-alpha)


Bioorg Med Chem Lett 6: 1221-1226 (1996)

More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (human))
BDBM50175491
PNG
(4-Methyl-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2...)
Show SMILES Cc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C24H21N5O/c1-16-5-8-18(9-6-16)23(30)27-20-10-7-17(2)22(14-20)29-24-26-13-11-21(28-24)19-4-3-12-25-15-19/h3-15H,1-2H3,(H,27,30)(H,26,28,29)
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of serine/threonine kinase(PKC-alpha)


Bioorg Med Chem Lett 6: 1221-1226 (1996)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50175493
PNG
(CHEMBL277931 | N-[3-(4-Pyridin-3-yl-pyrimidin-2-yl...)
Show SMILES O=C(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)c1ccccc1
Show InChI InChI=1S/C22H17N5O/c28-21(16-6-2-1-3-7-16)25-18-9-4-10-19(14-18)26-22-24-13-11-20(27-22)17-8-5-12-23-15-17/h1-15H,(H,25,28)(H,24,26,27)
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n/an/a 400n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of v-Abl tyrosine kinase.


Bioorg Med Chem Lett 7: 187-192 (1997)

More data for this
Ligand-Target Pair
PDGFR-beta/Platelet-derived growth factor receptor alpha


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50175491
PNG
(4-Methyl-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2...)
Show SMILES Cc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C24H21N5O/c1-16-5-8-18(9-6-16)23(30)27-20-10-7-17(2)22(14-20)29-24-26-13-11-21(28-24)19-4-3-12-25-15-19/h3-15H,1-2H3,(H,27,30)(H,26,28,29)
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the platelet-derived growth factor receptor.


Bioorg Med Chem Lett 7: 187-192 (1997)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50175491
PNG
(4-Methyl-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2...)
Show SMILES Cc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C24H21N5O/c1-16-5-8-18(9-6-16)23(30)27-20-10-7-17(2)22(14-20)29-24-26-13-11-21(28-24)19-4-3-12-25-15-19/h3-15H,1-2H3,(H,27,30)(H,26,28,29)
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n/an/a 200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of v-Abl tyrosine kinase.


Bioorg Med Chem Lett 7: 187-192 (1997)

More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (human))
BDBM50175491
PNG
(4-Methyl-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2...)
Show SMILES Cc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C24H21N5O/c1-16-5-8-18(9-6-16)23(30)27-20-10-7-17(2)22(14-20)29-24-26-13-11-21(28-24)19-4-3-12-25-15-19/h3-15H,1-2H3,(H,27,30)(H,26,28,29)
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n/an/a>5.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C delta.


Bioorg Med Chem Lett 7: 187-192 (1997)

More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM50175491
PNG
(4-Methyl-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2...)
Show SMILES Cc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C24H21N5O/c1-16-5-8-18(9-6-16)23(30)27-20-10-7-17(2)22(14-20)29-24-26-13-11-21(28-24)19-4-3-12-25-15-19/h3-15H,1-2H3,(H,27,30)(H,26,28,29)
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of c-Src-tyrosine kinase.


Bioorg Med Chem Lett 7: 187-192 (1997)

More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (human))
BDBM50175493
PNG
(CHEMBL277931 | N-[3-(4-Pyridin-3-yl-pyrimidin-2-yl...)
Show SMILES O=C(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)c1ccccc1
Show InChI InChI=1S/C22H17N5O/c28-21(16-6-2-1-3-7-16)25-18-9-4-10-19(14-18)26-22-24-13-11-20(27-22)17-8-5-12-23-15-17/h1-15H,(H,25,28)(H,24,26,27)
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n/an/a 2.30E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C delta.


Bioorg Med Chem Lett 7: 187-192 (1997)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50175491
PNG
(4-Methyl-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2...)
Show SMILES Cc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C24H21N5O/c1-16-5-8-18(9-6-16)23(30)27-20-10-7-17(2)22(14-20)29-24-26-13-11-21(28-24)19-4-3-12-25-15-19/h3-15H,1-2H3,(H,27,30)(H,26,28,29)
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the epidermal growth factor receptor.


Bioorg Med Chem Lett 7: 187-192 (1997)

More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM50175491
PNG
(4-Methyl-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2...)
Show SMILES Cc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C24H21N5O/c1-16-5-8-18(9-6-16)23(30)27-20-10-7-17(2)22(14-20)29-24-26-13-11-21(28-24)19-4-3-12-25-15-19/h3-15H,1-2H3,(H,27,30)(H,26,28,29)
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of tyrosine kinase(c-Src)


Bioorg Med Chem Lett 6: 1221-1226 (1996)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50175493
PNG
(CHEMBL277931 | N-[3-(4-Pyridin-3-yl-pyrimidin-2-yl...)
Show SMILES O=C(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)c1ccccc1
Show InChI InChI=1S/C22H17N5O/c28-21(16-6-2-1-3-7-16)25-18-9-4-10-19(14-18)26-22-24-13-11-20(27-22)17-8-5-12-23-15-17/h1-15H,(H,25,28)(H,24,26,27)
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n/an/a>5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of tyrosine kinase Epidermal growth factor receptor


Bioorg Med Chem Lett 6: 1221-1226 (1996)

More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM50175493
PNG
(CHEMBL277931 | N-[3-(4-Pyridin-3-yl-pyrimidin-2-yl...)
Show SMILES O=C(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)c1ccccc1
Show InChI InChI=1S/C22H17N5O/c28-21(16-6-2-1-3-7-16)25-18-9-4-10-19(14-18)26-22-24-13-11-20(27-22)17-8-5-12-23-15-17/h1-15H,(H,25,28)(H,24,26,27)
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n/an/a 1.57E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of tyrosine kinase(c-Src)


Bioorg Med Chem Lett 6: 1221-1226 (1996)

More data for this
Ligand-Target Pair
PDGFR-beta/Platelet-derived growth factor receptor alpha


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50175493
PNG
(CHEMBL277931 | N-[3-(4-Pyridin-3-yl-pyrimidin-2-yl...)
Show SMILES O=C(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)c1ccccc1
Show InChI InChI=1S/C22H17N5O/c28-21(16-6-2-1-3-7-16)25-18-9-4-10-19(14-18)26-22-24-13-11-20(27-22)17-8-5-12-23-15-17/h1-15H,(H,25,28)(H,24,26,27)
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n/an/a 5.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the platelet-derived growth factor receptor.


Bioorg Med Chem Lett 7: 187-192 (1997)

More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (human))
BDBM50175493
PNG
(CHEMBL277931 | N-[3-(4-Pyridin-3-yl-pyrimidin-2-yl...)
Show SMILES O=C(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)c1ccccc1
Show InChI InChI=1S/C22H17N5O/c28-21(16-6-2-1-3-7-16)25-18-9-4-10-19(14-18)26-22-24-13-11-20(27-22)17-8-5-12-23-15-17/h1-15H,(H,25,28)(H,24,26,27)
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n/an/a 2.30E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of serine/threonine kinase(PKC-delta)


Bioorg Med Chem Lett 6: 1221-1226 (1996)

More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (human))
BDBM50175491
PNG
(4-Methyl-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2...)
Show SMILES Cc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C24H21N5O/c1-16-5-8-18(9-6-16)23(30)27-20-10-7-17(2)22(14-20)29-24-26-13-11-21(28-24)19-4-3-12-25-15-19/h3-15H,1-2H3,(H,27,30)(H,26,28,29)
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n/an/a>5.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of serine/threonine kinase(PKC-delta)


Bioorg Med Chem Lett 6: 1221-1226 (1996)

More data for this
Ligand-Target Pair
PDGFR-beta/Platelet-derived growth factor receptor alpha


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50175493
PNG
(CHEMBL277931 | N-[3-(4-Pyridin-3-yl-pyrimidin-2-yl...)
Show SMILES O=C(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)c1ccccc1
Show InChI InChI=1S/C22H17N5O/c28-21(16-6-2-1-3-7-16)25-18-9-4-10-19(14-18)26-22-24-13-11-20(27-22)17-8-5-12-23-15-17/h1-15H,(H,25,28)(H,24,26,27)
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n/an/a 5.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of tyrosine kinase(PDGF-R)


Bioorg Med Chem Lett 6: 1221-1226 (1996)

More data for this
Ligand-Target Pair
PDGFR-beta/Platelet-derived growth factor receptor alpha


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50175491
PNG
(4-Methyl-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2...)
Show SMILES Cc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C24H21N5O/c1-16-5-8-18(9-6-16)23(30)27-20-10-7-17(2)22(14-20)29-24-26-13-11-21(28-24)19-4-3-12-25-15-19/h3-15H,1-2H3,(H,27,30)(H,26,28,29)
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of tyrosine kinase(PDGF-R)


Bioorg Med Chem Lett 6: 1221-1226 (1996)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50175491
PNG
(4-Methyl-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2...)
Show SMILES Cc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C24H21N5O/c1-16-5-8-18(9-6-16)23(30)27-20-10-7-17(2)22(14-20)29-24-26-13-11-21(28-24)19-4-3-12-25-15-19/h3-15H,1-2H3,(H,27,30)(H,26,28,29)
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of tyrosine kinase Epidermal growth factor receptor


Bioorg Med Chem Lett 6: 1221-1226 (1996)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50175493
PNG
(CHEMBL277931 | N-[3-(4-Pyridin-3-yl-pyrimidin-2-yl...)
Show SMILES O=C(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)c1ccccc1
Show InChI InChI=1S/C22H17N5O/c28-21(16-6-2-1-3-7-16)25-18-9-4-10-19(14-18)26-22-24-13-11-20(27-22)17-8-5-12-23-15-17/h1-15H,(H,25,28)(H,24,26,27)
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n/an/a>5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the epidermal growth factor receptor.


Bioorg Med Chem Lett 7: 187-192 (1997)

More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM50175493
PNG
(CHEMBL277931 | N-[3-(4-Pyridin-3-yl-pyrimidin-2-yl...)
Show SMILES O=C(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)c1ccccc1
Show InChI InChI=1S/C22H17N5O/c28-21(16-6-2-1-3-7-16)25-18-9-4-10-19(14-18)26-22-24-13-11-20(27-22)17-8-5-12-23-15-17/h1-15H,(H,25,28)(H,24,26,27)
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n/an/a 1.57E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of c-Src-tyrosine kinase.


Bioorg Med Chem Lett 7: 187-192 (1997)

More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM86626
PNG
(JNK-IN-1)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C29H29N7O2/c1-20-8-11-24(18-26(20)35-29-31-16-14-25(34-29)22-6-4-15-30-19-22)33-28(38)21-9-12-23(13-10-21)32-27(37)7-5-17-36(2)3/h4-16,18-19H,17H2,1-3H3,(H,32,37)(H,33,38)(H,31,34,35)/b7-5+
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PubMed
n/an/a 7.78E+3n/an/an/an/an/an/a



Harvard Medical School



Assay Description
The binding results were confirmed by measuring IC50 for the inhibition of JNK kinase activity by using Z'-LYTE assay format.


Chem Biol 19: 140-54 (2012)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM86626
PNG
(JNK-IN-1)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C29H29N7O2/c1-20-8-11-24(18-26(20)35-29-31-16-14-25(34-29)22-6-4-15-30-19-22)33-28(38)21-9-12-23(13-10-21)32-27(37)7-5-17-36(2)3/h4-16,18-19H,17H2,1-3H3,(H,32,37)(H,33,38)(H,31,34,35)/b7-5+
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n/an/a 4.23E+3n/an/an/an/an/an/a



Harvard Medical School



Assay Description
The binding results were confirmed by measuring IC50 for the inhibition of JNK kinase activity by using Z'-LYTE assay format.


Chem Biol 19: 140-54 (2012)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM86626
PNG
(JNK-IN-1)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C29H29N7O2/c1-20-8-11-24(18-26(20)35-29-31-16-14-25(34-29)22-6-4-15-30-19-22)33-28(38)21-9-12-23(13-10-21)32-27(37)7-5-17-36(2)3/h4-16,18-19H,17H2,1-3H3,(H,32,37)(H,33,38)(H,31,34,35)/b7-5+
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PubMed
n/an/a 7.75E+3n/an/an/an/an/an/a



Harvard Medical School



Assay Description
The binding results were confirmed by measuring IC50 for the inhibition of JNK kinase activity by using Z'-LYTE assay format.


Chem Biol 19: 140-54 (2012)

More data for this
Ligand-Target Pair
PDGFR-beta/Platelet-derived growth factor receptor alpha


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50175493
PNG
(CHEMBL277931 | N-[3-(4-Pyridin-3-yl-pyrimidin-2-yl...)
Show SMILES O=C(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)c1ccccc1
Show InChI InChI=1S/C22H17N5O/c28-21(16-6-2-1-3-7-16)25-18-9-4-10-19(14-18)26-22-24-13-11-20(27-22)17-8-5-12-23-15-17/h1-15H,(H,25,28)(H,24,26,27)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Organon Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against platelet-derived growth factor receptor


J Med Chem 48: 6523-43 (2005)

More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (human))
BDBM50175491
PNG
(4-Methyl-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2...)
Show SMILES Cc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C24H21N5O/c1-16-5-8-18(9-6-16)23(30)27-20-10-7-17(2)22(14-20)29-24-26-13-11-21(28-24)19-4-3-12-25-15-19/h3-15H,1-2H3,(H,27,30)(H,26,28,29)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Organon Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against protein kinase C alpha


J Med Chem 48: 6523-43 (2005)

More data for this
Ligand-Target Pair
PDGFR-beta/Platelet-derived growth factor receptor alpha


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50175491
PNG
(4-Methyl-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2...)
Show SMILES Cc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C24H21N5O/c1-16-5-8-18(9-6-16)23(30)27-20-10-7-17(2)22(14-20)29-24-26-13-11-21(28-24)19-4-3-12-25-15-19/h3-15H,1-2H3,(H,27,30)(H,26,28,29)
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n/an/a 10n/an/an/an/an/an/a



Organon Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against platelet-derived growth factor receptor


J Med Chem 48: 6523-43 (2005)

More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (human))
BDBM50175493
PNG
(CHEMBL277931 | N-[3-(4-Pyridin-3-yl-pyrimidin-2-yl...)
Show SMILES O=C(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)c1ccccc1
Show InChI InChI=1S/C22H17N5O/c28-21(16-6-2-1-3-7-16)25-18-9-4-10-19(14-18)26-22-24-13-11-20(27-22)17-8-5-12-23-15-17/h1-15H,(H,25,28)(H,24,26,27)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Organon Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against protein kinase C alpha


J Med Chem 48: 6523-43 (2005)

More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM106563
PNG
(US8586600, II-6)
Show SMILES Cc1ccc(NC(=O)c2ccc(CNC(=O)C=C)cc2)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C27H24N6O2/c1-3-25(34)30-16-19-7-9-20(10-8-19)26(35)31-22-11-6-18(2)24(15-22)33-27-29-14-12-23(32-27)21-5-4-13-28-17-21/h3-15,17H,1,16H2,2H3,(H,30,34)(H,31,35)(H,29,32,33)
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n/an/a 29.8n/an/an/an/an/an/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
Compounds may also be assayed as inhibitors of PDGFR in a manner substantially similar to the method described in Roberts, et al., “Antiangiogen...


US Patent US8586600 (2013)

More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM106567
PNG
(US8586600, II-1)
Show SMILES Cc1ccc(NC(=O)c2ccc(NC(=O)C=C)cc2)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C26H22N6O2/c1-3-24(33)29-20-10-7-18(8-11-20)25(34)30-21-9-6-17(2)23(15-21)32-26-28-14-12-22(31-26)19-5-4-13-27-16-19/h3-16H,1H2,2H3,(H,29,33)(H,30,34)(H,28,31,32)
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n/an/a 173n/an/an/an/an/an/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
Compounds may also be assayed as inhibitors of PDGFR in a manner substantially similar to the method described in Roberts, et al., “Antiangiogen...


US Patent US8586600 (2013)

More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM106566
PNG
(US8586600, II-52)
Show SMILES Cc1cc(nc(Nc2cc(NC(=O)c3ccc(NC(=O)C=C)cc3)ccc2C)n1)-c1cccnc1
Show InChI InChI=1S/C27H24N6O2/c1-4-25(34)30-21-11-8-19(9-12-21)26(35)31-22-10-7-17(2)23(15-22)32-27-29-18(3)14-24(33-27)20-6-5-13-28-16-20/h4-16H,1H2,2-3H3,(H,30,34)(H,31,35)(H,29,32,33)
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n/an/a 1.02E+3n/an/an/an/an/an/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
Compounds may also be assayed as inhibitors of PDGFR in a manner substantially similar to the method described in Roberts, et al., “Antiangiogen...


US Patent US8586600 (2013)

More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM106558
PNG
(US8586600, II-53)
Show SMILES Cc1ccc(NC(=O)c2ccc(NC(=O)CCl)cc2)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C25H21ClN6O2/c1-16-4-7-20(30-24(34)17-5-8-19(9-6-17)29-23(33)14-26)13-22(16)32-25-28-12-10-21(31-25)18-3-2-11-27-15-18/h2-13,15H,14H2,1H3,(H,29,33)(H,30,34)(H,28,31,32)
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n/an/a 16.4n/an/an/an/an/an/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
Compounds may also be assayed as inhibitors of PDGFR in a manner substantially similar to the method described in Roberts, et al., “Antiangiogen...


US Patent US8586600 (2013)

More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM106559
PNG
(US8586600, II-54)
Show SMILES CC(Cl)C(=O)Nc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C26H23ClN6O2/c1-16-5-8-21(31-25(35)18-6-9-20(10-7-18)30-24(34)17(2)27)14-23(16)33-26-29-13-11-22(32-26)19-4-3-12-28-15-19/h3-15,17H,1-2H3,(H,30,34)(H,31,35)(H,29,32,33)
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n/an/a 185n/an/an/an/an/an/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
Compounds may also be assayed as inhibitors of PDGFR in a manner substantially similar to the method described in Roberts, et al., “Antiangiogen...


US Patent US8586600 (2013)

More data for this
Ligand-Target Pair
VEGF-receptor 2 and stem cell growth factor receptor (KDR and KIT)


(Homo sapiens (human))
BDBM106558
PNG
(US8586600, II-53)
Show SMILES Cc1ccc(NC(=O)c2ccc(NC(=O)CCl)cc2)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C25H21ClN6O2/c1-16-4-7-20(30-24(34)17-5-8-19(9-6-17)29-23(33)14-26)13-22(16)32-25-28-12-10-21(31-25)18-3-2-11-27-15-18/h2-13,15H,14H2,1H3,(H,29,33)(H,30,34)(H,28,31,32)
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n/an/a 937n/an/an/an/an/an/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
Compounds may also be assayed as inhibitors of CKit in a manner substantially similar to the method described by Upstate (http://www.upstate.com/img/...


US Patent US8586600 (2013)

More data for this
Ligand-Target Pair
VEGF-receptor 2 and stem cell growth factor receptor (KDR and KIT)


(Homo sapiens (human))
BDBM106558
PNG
(US8586600, II-53)
Show SMILES Cc1ccc(NC(=O)c2ccc(NC(=O)CCl)cc2)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C25H21ClN6O2/c1-16-4-7-20(30-24(34)17-5-8-19(9-6-17)29-23(33)14-26)13-22(16)32-25-28-12-10-21(31-25)18-3-2-11-27-15-18/h2-13,15H,14H2,1H3,(H,29,33)(H,30,34)(H,28,31,32)
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n/an/a 260n/an/an/an/an/an/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
Compounds may also be assayed as inhibitors of CKit in a manner substantially similar to the method described by Upstate (http://www.upstate.com/img/...


US Patent US8586600 (2013)

More data for this
Ligand-Target Pair
VEGF-receptor 2 and stem cell growth factor receptor (KDR and KIT)


(Homo sapiens (human))
BDBM106559
PNG
(US8586600, II-54)
Show SMILES CC(Cl)C(=O)Nc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C26H23ClN6O2/c1-16-5-8-21(31-25(35)18-6-9-20(10-7-18)30-24(34)17(2)27)14-23(16)33-26-29-13-11-22(32-26)19-4-3-12-28-15-19/h3-15,17H,1-2H3,(H,30,34)(H,31,35)(H,29,32,33)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
Compounds may also be assayed as inhibitors of CKit in a manner substantially similar to the method described by Upstate (http://www.upstate.com/img/...


US Patent US8586600 (2013)

More data for this
Ligand-Target Pair
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