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BDBM50372153 CHEMBL255955

SMILES: Nc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c12

InChI Key: InChIKey=LYHXSDWIWVVZPB-UHFFFAOYSA-N

Data: 11 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 11 hits for monomerid = 50372153   
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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50372153
PNG
(CHEMBL255955)
Show SMILES Nc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C20H15F3N6O/c21-20(22,23)12-2-1-3-14(10-12)27-19(30)26-13-6-4-11(5-7-13)15-8-9-25-18-16(15)17(24)28-29-18/h1-10H,(H2,26,27,30)(H3,24,25,28,29)
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n/an/a 2.60n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced human KDR phosphorylation in mouse 3T3 cells


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50372153
PNG
(CHEMBL255955)
Show SMILES Nc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C20H15F3N6O/c21-20(22,23)12-2-1-3-14(10-12)27-19(30)26-13-6-4-11(5-7-13)15-8-9-25-18-16(15)17(24)28-29-18/h1-10H,(H2,26,27,30)(H3,24,25,28,29)
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n/an/a 5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLT1 by HTRF assay


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50372153
PNG
(CHEMBL255955)
Show SMILES Nc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C20H15F3N6O/c21-20(22,23)12-2-1-3-14(10-12)27-19(30)26-13-6-4-11(5-7-13)15-8-9-25-18-16(15)17(24)28-29-18/h1-10H,(H2,26,27,30)(H3,24,25,28,29)
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n/an/a 7n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cKit by HTRF assay


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
More data for this
Ligand-Target Pair
Macrophage colony stimulating factor receptor


(Homo sapiens (Human))
BDBM50372153
PNG
(CHEMBL255955)
Show SMILES Nc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C20H15F3N6O/c21-20(22,23)12-2-1-3-14(10-12)27-19(30)26-13-6-4-11(5-7-13)15-8-9-25-18-16(15)17(24)28-29-18/h1-10H,(H2,26,27,30)(H3,24,25,28,29)
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n/an/a 3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CSF1R by HTRF assay


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50372153
PNG
(CHEMBL255955)
Show SMILES Nc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C20H15F3N6O/c21-20(22,23)12-2-1-3-14(10-12)27-19(30)26-13-6-4-11(5-7-13)15-8-9-25-18-16(15)17(24)28-29-18/h1-10H,(H2,26,27,30)(H3,24,25,28,29)
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n/an/a 1.70n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50372153
PNG
(CHEMBL255955)
Show SMILES Nc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C20H15F3N6O/c21-20(22,23)12-2-1-3-14(10-12)27-19(30)26-13-6-4-11(5-7-13)15-8-9-25-18-16(15)17(24)28-29-18/h1-10H,(H2,26,27,30)(H3,24,25,28,29)
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n/an/a 1.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of KDR kinase activity (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-011-9926-4
BindingDB Entry DOI: 10.7270/Q2W66PNT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM50372153
PNG
(CHEMBL255955)
Show SMILES Nc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C20H15F3N6O/c21-20(22,23)12-2-1-3-14(10-12)27-19(30)26-13-6-4-11(5-7-13)15-8-9-25-18-16(15)17(24)28-29-18/h1-10H,(H2,26,27,30)(H3,24,25,28,29)
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n/an/a 1.18E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FYN by HTRF assay


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50372153
PNG
(CHEMBL255955)
Show SMILES Nc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C20H15F3N6O/c21-20(22,23)12-2-1-3-14(10-12)27-19(30)26-13-6-4-11(5-7-13)15-8-9-25-18-16(15)17(24)28-29-18/h1-10H,(H2,26,27,30)(H3,24,25,28,29)
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n/an/a 2.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of KDR (unknown origin) in cell-based assay


Citation and Details

Article DOI: 10.1007/s00044-011-9926-4
BindingDB Entry DOI: 10.7270/Q2W66PNT
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50372153
PNG
(CHEMBL255955)
Show SMILES Nc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C20H15F3N6O/c21-20(22,23)12-2-1-3-14(10-12)27-19(30)26-13-6-4-11(5-7-13)15-8-9-25-18-16(15)17(24)28-29-18/h1-10H,(H2,26,27,30)(H3,24,25,28,29)
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n/an/a 1.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of KDR kinase activity (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-011-9926-4
BindingDB Entry DOI: 10.7270/Q2W66PNT
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50372153
PNG
(CHEMBL255955)
Show SMILES Nc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C20H15F3N6O/c21-20(22,23)12-2-1-3-14(10-12)27-19(30)26-13-6-4-11(5-7-13)15-8-9-25-18-16(15)17(24)28-29-18/h1-10H,(H2,26,27,30)(H3,24,25,28,29)
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n/an/a 2.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of KDR (unknown origin) in cell-based assay


Citation and Details

Article DOI: 10.1007/s00044-011-9926-4
BindingDB Entry DOI: 10.7270/Q2W66PNT
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50372153
PNG
(CHEMBL255955)
Show SMILES Nc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C20H15F3N6O/c21-20(22,23)12-2-1-3-14(10-12)27-19(30)26-13-6-4-11(5-7-13)15-8-9-25-18-16(15)17(24)28-29-18/h1-10H,(H2,26,27,30)(H3,24,25,28,29)
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n/an/a 2n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLT3 by HTRF assay


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
More data for this
Ligand-Target Pair