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BDBM50266149 1-(4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)naphthalen-1-yl)-3-phenylurea::CHEMBL457099

SMILES: CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)Nc2ccccc2)c2ccccc12

InChI Key: InChIKey=GOEHHWWOYYPDII-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50266149   
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))
BDBM50266149
PNG
(1-(4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-y...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)Nc2ccccc2)c2ccccc12
Show InChI InChI=1S/C27H22N6O2/c1-28-26-30-17-15-23(32-26)21-12-7-16-29-25(21)35-24-14-13-22(19-10-5-6-11-20(19)24)33-27(34)31-18-8-3-2-4-9-18/h2-17H,1H3,(H,28,30,32)(H2,31,33,34)
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n/an/a 23n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
BindingDB Entry DOI: 10.7270/Q2T43T83
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50266149
PNG
(1-(4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-y...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)Nc2ccccc2)c2ccccc12
Show InChI InChI=1S/C27H22N6O2/c1-28-26-30-17-15-23(32-26)21-12-7-16-29-25(21)35-24-14-13-22(19-10-5-6-11-20(19)24)33-27(34)31-18-8-3-2-4-9-18/h2-17H,1H3,(H,28,30,32)(H2,31,33,34)
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n/an/a 5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Tie2 (unknown origin)


Bioorg Med Chem Lett 19: 424-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.056
BindingDB Entry DOI: 10.7270/Q29P31HK
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50266149
PNG
(1-(4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-y...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)Nc2ccccc2)c2ccccc12
Show InChI InChI=1S/C27H22N6O2/c1-28-26-30-17-15-23(32-26)21-12-7-16-29-25(21)35-24-14-13-22(19-10-5-6-11-20(19)24)33-27(34)31-18-8-3-2-4-9-18/h2-17H,1H3,(H,28,30,32)(H2,31,33,34)
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n/an/a 40n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


Bioorg Med Chem Lett 19: 424-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.056
BindingDB Entry DOI: 10.7270/Q29P31HK
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50266149
PNG
(1-(4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-y...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)Nc2ccccc2)c2ccccc12
Show InChI InChI=1S/C27H22N6O2/c1-28-26-30-17-15-23(32-26)21-12-7-16-29-25(21)35-24-14-13-22(19-10-5-6-11-20(19)24)33-27(34)31-18-8-3-2-4-9-18/h2-17H,1H3,(H,28,30,32)(H2,31,33,34)
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n/an/a 5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Tie2


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
BindingDB Entry DOI: 10.7270/Q2T43T83
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50266149
PNG
(1-(4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-y...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)Nc2ccccc2)c2ccccc12
Show InChI InChI=1S/C27H22N6O2/c1-28-26-30-17-15-23(32-26)21-12-7-16-29-25(21)35-24-14-13-22(19-10-5-6-11-20(19)24)33-27(34)31-18-8-3-2-4-9-18/h2-17H,1H3,(H,28,30,32)(H2,31,33,34)
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PubMed
n/an/a 40n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
BindingDB Entry DOI: 10.7270/Q2T43T83
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50266149
PNG
(1-(4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-y...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)Nc2ccccc2)c2ccccc12
Show InChI InChI=1S/C27H22N6O2/c1-28-26-30-17-15-23(32-26)21-12-7-16-29-25(21)35-24-14-13-22(19-10-5-6-11-20(19)24)33-27(34)31-18-8-3-2-4-9-18/h2-17H,1H3,(H,28,30,32)(H2,31,33,34)
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Article
PubMed
n/an/a 48n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of LCK


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
BindingDB Entry DOI: 10.7270/Q2T43T83
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50266149
PNG
(1-(4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-y...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)Nc2ccccc2)c2ccccc12
Show InChI InChI=1S/C27H22N6O2/c1-28-26-30-17-15-23(32-26)21-12-7-16-29-25(21)35-24-14-13-22(19-10-5-6-11-20(19)24)33-27(34)31-18-8-3-2-4-9-18/h2-17H,1H3,(H,28,30,32)(H2,31,33,34)
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Article
PubMed
n/an/a 52n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


J Med Chem 53: 4502-10 (2010)


Article DOI: 10.1021/jm100301x
BindingDB Entry DOI: 10.7270/Q2T43T83
More data for this
Ligand-Target Pair