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BDBM50245420 CHEMBL462168::N-(6-(6,7-dimethoxyquinolin-4-yloxy)-1-methyl-1H-indazol-3-yl)-3-(trifluoromethyl)benzamide

SMILES: COc1cc2nccc(Oc3ccc4c(NC(=O)c5cccc(c5)C(F)(F)F)nn(C)c4c3)c2cc1OC

InChI Key: InChIKey=VCBGNDQGKNIBBK-UHFFFAOYSA-N

Data: 9 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50245420   
Target/Host
(Institution)
LigandTarget/Host
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
Aurora kinase B


(Homo sapiens (Human))
BDBM50245420
PNG
(CHEMBL462168 | N-(6-(6,7-dimethoxyquinolin-4-yloxy...)
Show SMILES COc1cc2nccc(Oc3ccc4c(NC(=O)c5cccc(c5)C(F)(F)F)nn(C)c4c3)c2cc1OC
Show InChI InChI=1S/C27H21F3N4O4/c1-34-21-12-17(38-22-9-10-31-20-14-24(37-3)23(36-2)13-19(20)22)7-8-18(21)25(33-34)32-26(35)15-5-4-6-16(11-15)27(28,29)30/h4-14H,1-3H3,(H,32,33,35)
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n/an/a 45n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora 1 kinase


Bioorg Med Chem Lett 18: 4844-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.080
BindingDB Entry DOI: 10.7270/Q2W9591V
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50245420
PNG
(CHEMBL462168 | N-(6-(6,7-dimethoxyquinolin-4-yloxy...)
Show SMILES COc1cc2nccc(Oc3ccc4c(NC(=O)c5cccc(c5)C(F)(F)F)nn(C)c4c3)c2cc1OC
Show InChI InChI=1S/C27H21F3N4O4/c1-34-21-12-17(38-22-9-10-31-20-14-24(37-3)23(36-2)13-19(20)22)7-8-18(21)25(33-34)32-26(35)15-5-4-6-16(11-15)27(28,29)30/h4-14H,1-3H3,(H,32,33,35)
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n/an/a 1n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant KDR by HTRF assay


Bioorg Med Chem Lett 18: 4844-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.080
BindingDB Entry DOI: 10.7270/Q2W9591V
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50245420
PNG
(CHEMBL462168 | N-(6-(6,7-dimethoxyquinolin-4-yloxy...)
Show SMILES COc1cc2nccc(Oc3ccc4c(NC(=O)c5cccc(c5)C(F)(F)F)nn(C)c4c3)c2cc1OC
Show InChI InChI=1S/C27H21F3N4O4/c1-34-21-12-17(38-22-9-10-31-20-14-24(37-3)23(36-2)13-19(20)22)7-8-18(21)25(33-34)32-26(35)15-5-4-6-16(11-15)27(28,29)30/h4-14H,1-3H3,(H,32,33,35)
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n/an/a 121n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Tie 2


Bioorg Med Chem Lett 18: 4844-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.080
BindingDB Entry DOI: 10.7270/Q2W9591V
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50245420
PNG
(CHEMBL462168 | N-(6-(6,7-dimethoxyquinolin-4-yloxy...)
Show SMILES COc1cc2nccc(Oc3ccc4c(NC(=O)c5cccc(c5)C(F)(F)F)nn(C)c4c3)c2cc1OC
Show InChI InChI=1S/C27H21F3N4O4/c1-34-21-12-17(38-22-9-10-31-20-14-24(37-3)23(36-2)13-19(20)22)7-8-18(21)25(33-34)32-26(35)15-5-4-6-16(11-15)27(28,29)30/h4-14H,1-3H3,(H,32,33,35)
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n/an/a 764n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora 2 kinase


Bioorg Med Chem Lett 18: 4844-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.080
BindingDB Entry DOI: 10.7270/Q2W9591V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50245420
PNG
(CHEMBL462168 | N-(6-(6,7-dimethoxyquinolin-4-yloxy...)
Show SMILES COc1cc2nccc(Oc3ccc4c(NC(=O)c5cccc(c5)C(F)(F)F)nn(C)c4c3)c2cc1OC
Show InChI InChI=1S/C27H21F3N4O4/c1-34-21-12-17(38-22-9-10-31-20-14-24(37-3)23(36-2)13-19(20)22)7-8-18(21)25(33-34)32-26(35)15-5-4-6-16(11-15)27(28,29)30/h4-14H,1-3H3,(H,32,33,35)
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n/an/a 2.50E+7n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of JAK2


Bioorg Med Chem Lett 18: 4844-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.080
BindingDB Entry DOI: 10.7270/Q2W9591V
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50245420
PNG
(CHEMBL462168 | N-(6-(6,7-dimethoxyquinolin-4-yloxy...)
Show SMILES COc1cc2nccc(Oc3ccc4c(NC(=O)c5cccc(c5)C(F)(F)F)nn(C)c4c3)c2cc1OC
Show InChI InChI=1S/C27H21F3N4O4/c1-34-21-12-17(38-22-9-10-31-20-14-24(37-3)23(36-2)13-19(20)22)7-8-18(21)25(33-34)32-26(35)15-5-4-6-16(11-15)27(28,29)30/h4-14H,1-3H3,(H,32,33,35)
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n/an/a 3.25E+3n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3K


Bioorg Med Chem Lett 18: 4844-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.080
BindingDB Entry DOI: 10.7270/Q2W9591V
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50245420
PNG
(CHEMBL462168 | N-(6-(6,7-dimethoxyquinolin-4-yloxy...)
Show SMILES COc1cc2nccc(Oc3ccc4c(NC(=O)c5cccc(c5)C(F)(F)F)nn(C)c4c3)c2cc1OC
Show InChI InChI=1S/C27H21F3N4O4/c1-34-21-12-17(38-22-9-10-31-20-14-24(37-3)23(36-2)13-19(20)22)7-8-18(21)25(33-34)32-26(35)15-5-4-6-16(11-15)27(28,29)30/h4-14H,1-3H3,(H,32,33,35)
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n/an/a 3.32E+3n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of cMET


Bioorg Med Chem Lett 18: 4844-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.080
BindingDB Entry DOI: 10.7270/Q2W9591V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50245420
PNG
(CHEMBL462168 | N-(6-(6,7-dimethoxyquinolin-4-yloxy...)
Show SMILES COc1cc2nccc(Oc3ccc4c(NC(=O)c5cccc(c5)C(F)(F)F)nn(C)c4c3)c2cc1OC
Show InChI InChI=1S/C27H21F3N4O4/c1-34-21-12-17(38-22-9-10-31-20-14-24(37-3)23(36-2)13-19(20)22)7-8-18(21)25(33-34)32-26(35)15-5-4-6-16(11-15)27(28,29)30/h4-14H,1-3H3,(H,32,33,35)
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n/an/a 2.50E+7n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of JAK3


Bioorg Med Chem Lett 18: 4844-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.080
BindingDB Entry DOI: 10.7270/Q2W9591V
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50245420
PNG
(CHEMBL462168 | N-(6-(6,7-dimethoxyquinolin-4-yloxy...)
Show SMILES COc1cc2nccc(Oc3ccc4c(NC(=O)c5cccc(c5)C(F)(F)F)nn(C)c4c3)c2cc1OC
Show InChI InChI=1S/C27H21F3N4O4/c1-34-21-12-17(38-22-9-10-31-20-14-24(37-3)23(36-2)13-19(20)22)7-8-18(21)25(33-34)32-26(35)15-5-4-6-16(11-15)27(28,29)30/h4-14H,1-3H3,(H,32,33,35)
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n/an/a 1.65E+3n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 18: 4844-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.080
BindingDB Entry DOI: 10.7270/Q2W9591V
More data for this
Ligand-Target Pair