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BDBM50266185 CHEMBL463323::N-(4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)naphthalen-1-yl)-5-(trifluoromethyl)-1H-benzo[d]imidazol-2-amine::N-(4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)naphthalen-1-yl)-6-(trifluoromethyl)-1H-benzo[d]imidazol-2-amine::N-[4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine

SMILES: CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccc(cc3[nH]2)C(F)(F)F)c2ccccc12

InChI Key: InChIKey=VIHXUAKPZPXVSW-UHFFFAOYSA-N

Data: 7 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50266185   
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))
BDBM50266185
PNG
(CHEMBL463323 | N-(4-(3-(2-(methylamino)pyrimidin-4...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccc(cc3[nH]2)C(F)(F)F)c2ccccc12
Show InChI InChI=1S/C28H20F3N7O/c1-32-26-34-14-12-21(35-26)19-7-4-13-33-25(19)39-24-11-10-20(17-5-2-3-6-18(17)24)36-27-37-22-9-8-16(28(29,30)31)15-23(22)38-27/h2-15H,1H3,(H,32,34,35)(H2,36,37,38)
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n/an/a 56n/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))
BDBM50266185
PNG
(CHEMBL463323 | N-(4-(3-(2-(methylamino)pyrimidin-4...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccc(cc3[nH]2)C(F)(F)F)c2ccccc12
Show InChI InChI=1S/C28H20F3N7O/c1-32-26-34-14-12-21(35-26)19-7-4-13-33-25(19)39-24-11-10-20(17-5-2-3-6-18(17)24)36-27-37-22-9-8-16(28(29,30)31)15-23(22)38-27/h2-15H,1H3,(H,32,34,35)(H2,36,37,38)
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n/an/a 27n/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))
BDBM50266185
PNG
(CHEMBL463323 | N-(4-(3-(2-(methylamino)pyrimidin-4...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccc(cc3[nH]2)C(F)(F)F)c2ccccc12
Show InChI InChI=1S/C28H20F3N7O/c1-32-26-34-14-12-21(35-26)19-7-4-13-33-25(19)39-24-11-10-20(17-5-2-3-6-18(17)24)36-27-37-22-9-8-16(28(29,30)31)15-23(22)38-27/h2-15H,1H3,(H,32,34,35)(H2,36,37,38)
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n/an/a 69n/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
3D
3D Structure (crystal)
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50266185
PNG
(CHEMBL463323 | N-(4-(3-(2-(methylamino)pyrimidin-4...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccc(cc3[nH]2)C(F)(F)F)c2ccccc12
Show InChI InChI=1S/C28H20F3N7O/c1-32-26-34-14-12-21(35-26)19-7-4-13-33-25(19)39-24-11-10-20(17-5-2-3-6-18(17)24)36-27-37-22-9-8-16(28(29,30)31)15-23(22)38-27/h2-15H,1H3,(H,32,34,35)(H2,36,37,38)
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n/an/a 27n/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))
BDBM50266185
PNG
(CHEMBL463323 | N-(4-(3-(2-(methylamino)pyrimidin-4...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccc(cc3[nH]2)C(F)(F)F)c2ccccc12
Show InChI InChI=1S/C28H20F3N7O/c1-32-26-34-14-12-21(35-26)19-7-4-13-33-25(19)39-24-11-10-20(17-5-2-3-6-18(17)24)36-27-37-22-9-8-16(28(29,30)31)15-23(22)38-27/h2-15H,1H3,(H,32,34,35)(H2,36,37,38)
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n/an/a 70n/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
3D
3D Structure (crystal)
SRC


(Homo sapiens (Human))
BDBM50266185
PNG
(CHEMBL463323 | N-(4-(3-(2-(methylamino)pyrimidin-4...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccc(cc3[nH]2)C(F)(F)F)c2ccccc12
Show InChI InChI=1S/C28H20F3N7O/c1-32-26-34-14-12-21(35-26)19-7-4-13-33-25(19)39-24-11-10-20(17-5-2-3-6-18(17)24)36-27-37-22-9-8-16(28(29,30)31)15-23(22)38-27/h2-15H,1H3,(H,32,34,35)(H2,36,37,38)
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n/an/a 132n/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/Targeting protein for Xklp2


(Homo sapiens (Human))
BDBM50266185
PNG
(CHEMBL463323 | N-(4-(3-(2-(methylamino)pyrimidin-4...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccc(cc3[nH]2)C(F)(F)F)c2ccccc12
Show InChI InChI=1S/C28H20F3N7O/c1-32-26-34-14-12-21(35-26)19-7-4-13-33-25(19)39-24-11-10-20(17-5-2-3-6-18(17)24)36-27-37-22-9-8-16(28(29,30)31)15-23(22)38-27/h2-15H,1H3,(H,32,34,35)(H2,36,37,38)
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n/an/a 16n/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