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BDBM50168403 5-[6-(5-Difluoromethyl-[1,3,4]oxadiazol-2-yl)-5-isopropyl-pyrrolo[2,1-f][1,2,4]triazin-4-ylamino]-2,4-difluoro-N-methoxy-benzamide::CHEMBL194498

SMILES: CONC(=O)c1cc(Nc2ncnn3cc(-c4nnc(o4)C(F)F)c(C(C)C)c23)c(F)cc1F

InChI Key: InChIKey=BPXQYAXTDCQZHB-UHFFFAOYSA-N

Data: 12 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 12 hits for monomerid = 50168403   
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
Fibroblast growth factor receptor


(Homo sapiens (Human))
BDBM50168403
PNG
(5-[6-(5-Difluoromethyl-[1,3,4]oxadiazol-2-yl)-5-is...)
Show SMILES CONC(=O)c1cc(Nc2ncnn3cc(-c4nnc(o4)C(F)F)c(C(C)C)c23)c(F)cc1F
Show InChI InChI=1S/C20H17F4N7O3/c1-8(2)14-10(19-28-29-20(34-19)16(23)24)6-31-15(14)17(25-7-26-31)27-13-4-9(18(32)30-33-3)11(21)5-12(13)22/h4-8,16H,1-3H3,(H,30,32)(H,25,26,27)
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PubMed
n/an/a 21n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FGF-stimulated human umbilical vein endothelial cell proliferation


J Med Chem 48: 3991-4008 (2005)


Article DOI: 10.1021/jm0501275
BindingDB Entry DOI: 10.7270/Q2KP81QN
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50168403
PNG
(5-[6-(5-Difluoromethyl-[1,3,4]oxadiazol-2-yl)-5-is...)
Show SMILES CONC(=O)c1cc(Nc2ncnn3cc(-c4nnc(o4)C(F)F)c(C(C)C)c23)c(F)cc1F
Show InChI InChI=1S/C20H17F4N7O3/c1-8(2)14-10(19-28-29-20(34-19)16(23)24)6-31-15(14)17(25-7-26-31)27-13-4-9(18(32)30-33-3)11(21)5-12(13)22/h4-8,16H,1-3H3,(H,30,32)(H,25,26,27)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human protein kinase C alpha


J Med Chem 48: 3991-4008 (2005)


Article DOI: 10.1021/jm0501275
BindingDB Entry DOI: 10.7270/Q2KP81QN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50168403
PNG
(5-[6-(5-Difluoromethyl-[1,3,4]oxadiazol-2-yl)-5-is...)
Show SMILES CONC(=O)c1cc(Nc2ncnn3cc(-c4nnc(o4)C(F)F)c(C(C)C)c23)c(F)cc1F
Show InChI InChI=1S/C20H17F4N7O3/c1-8(2)14-10(19-28-29-20(34-19)16(23)24)6-31-15(14)17(25-7-26-31)27-13-4-9(18(32)30-33-3)11(21)5-12(13)22/h4-8,16H,1-3H3,(H,30,32)(H,25,26,27)
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n/an/a 840n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human vascular endothelial growth factor receptor 2 (Flk-1)


J Med Chem 48: 3991-4008 (2005)


Article DOI: 10.1021/jm0501275
BindingDB Entry DOI: 10.7270/Q2KP81QN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (Human))
BDBM50168403
PNG
(5-[6-(5-Difluoromethyl-[1,3,4]oxadiazol-2-yl)-5-is...)
Show SMILES CONC(=O)c1cc(Nc2ncnn3cc(-c4nnc(o4)C(F)F)c(C(C)C)c23)c(F)cc1F
Show InChI InChI=1S/C20H17F4N7O3/c1-8(2)14-10(19-28-29-20(34-19)16(23)24)6-31-15(14)17(25-7-26-31)27-13-4-9(18(32)30-33-3)11(21)5-12(13)22/h4-8,16H,1-3H3,(H,30,32)(H,25,26,27)
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n/an/a 17n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of VEGF-stimulated human umbilical vein endothelial cell proliferation


J Med Chem 48: 3991-4008 (2005)


Article DOI: 10.1021/jm0501275
BindingDB Entry DOI: 10.7270/Q2KP81QN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50168403
PNG
(5-[6-(5-Difluoromethyl-[1,3,4]oxadiazol-2-yl)-5-is...)
Show SMILES CONC(=O)c1cc(Nc2ncnn3cc(-c4nnc(o4)C(F)F)c(C(C)C)c23)c(F)cc1F
Show InChI InChI=1S/C20H17F4N7O3/c1-8(2)14-10(19-28-29-20(34-19)16(23)24)6-31-15(14)17(25-7-26-31)27-13-4-9(18(32)30-33-3)11(21)5-12(13)22/h4-8,16H,1-3H3,(H,30,32)(H,25,26,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human epidermal growth factor receptor (HER-1)


J Med Chem 48: 3991-4008 (2005)


Article DOI: 10.1021/jm0501275
BindingDB Entry DOI: 10.7270/Q2KP81QN
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50168403
PNG
(5-[6-(5-Difluoromethyl-[1,3,4]oxadiazol-2-yl)-5-is...)
Show SMILES CONC(=O)c1cc(Nc2ncnn3cc(-c4nnc(o4)C(F)F)c(C(C)C)c23)c(F)cc1F
Show InChI InChI=1S/C20H17F4N7O3/c1-8(2)14-10(19-28-29-20(34-19)16(23)24)6-31-15(14)17(25-7-26-31)27-13-4-9(18(32)30-33-3)11(21)5-12(13)22/h4-8,16H,1-3H3,(H,30,32)(H,25,26,27)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human platelet-derived growth factor receptor beta


J Med Chem 48: 3991-4008 (2005)


Article DOI: 10.1021/jm0501275
BindingDB Entry DOI: 10.7270/Q2KP81QN
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50168403
PNG
(5-[6-(5-Difluoromethyl-[1,3,4]oxadiazol-2-yl)-5-is...)
Show SMILES CONC(=O)c1cc(Nc2ncnn3cc(-c4nnc(o4)C(F)F)c(C(C)C)c23)c(F)cc1F
Show InChI InChI=1S/C20H17F4N7O3/c1-8(2)14-10(19-28-29-20(34-19)16(23)24)6-31-15(14)17(25-7-26-31)27-13-4-9(18(32)30-33-3)11(21)5-12(13)22/h4-8,16H,1-3H3,(H,30,32)(H,25,26,27)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human cyclin-dependent kinase 2


J Med Chem 48: 3991-4008 (2005)


Article DOI: 10.1021/jm0501275
BindingDB Entry DOI: 10.7270/Q2KP81QN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50168403
PNG
(5-[6-(5-Difluoromethyl-[1,3,4]oxadiazol-2-yl)-5-is...)
Show SMILES CONC(=O)c1cc(Nc2ncnn3cc(-c4nnc(o4)C(F)F)c(C(C)C)c23)c(F)cc1F
Show InChI InChI=1S/C20H17F4N7O3/c1-8(2)14-10(19-28-29-20(34-19)16(23)24)6-31-15(14)17(25-7-26-31)27-13-4-9(18(32)30-33-3)11(21)5-12(13)22/h4-8,16H,1-3H3,(H,30,32)(H,25,26,27)
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n/an/a 100n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast growth factor receptor 1


J Med Chem 48: 3991-4008 (2005)


Article DOI: 10.1021/jm0501275
BindingDB Entry DOI: 10.7270/Q2KP81QN
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50168403
PNG
(5-[6-(5-Difluoromethyl-[1,3,4]oxadiazol-2-yl)-5-is...)
Show SMILES CONC(=O)c1cc(Nc2ncnn3cc(-c4nnc(o4)C(F)F)c(C(C)C)c23)c(F)cc1F
Show InChI InChI=1S/C20H17F4N7O3/c1-8(2)14-10(19-28-29-20(34-19)16(23)24)6-31-15(14)17(25-7-26-31)27-13-4-9(18(32)30-33-3)11(21)5-12(13)22/h4-8,16H,1-3H3,(H,30,32)(H,25,26,27)
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n/an/a>2.50E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human insulin-like growth factor I receptor


J Med Chem 48: 3991-4008 (2005)


Article DOI: 10.1021/jm0501275
BindingDB Entry DOI: 10.7270/Q2KP81QN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50168403
PNG
(5-[6-(5-Difluoromethyl-[1,3,4]oxadiazol-2-yl)-5-is...)
Show SMILES CONC(=O)c1cc(Nc2ncnn3cc(-c4nnc(o4)C(F)F)c(C(C)C)c23)c(F)cc1F
Show InChI InChI=1S/C20H17F4N7O3/c1-8(2)14-10(19-28-29-20(34-19)16(23)24)6-31-15(14)17(25-7-26-31)27-13-4-9(18(32)30-33-3)11(21)5-12(13)22/h4-8,16H,1-3H3,(H,30,32)(H,25,26,27)
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n/an/a 57n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human vascular endothelial growth factor receptor 2 (Flk-1)


J Med Chem 48: 3991-4008 (2005)


Article DOI: 10.1021/jm0501275
BindingDB Entry DOI: 10.7270/Q2KP81QN
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50168403
PNG
(5-[6-(5-Difluoromethyl-[1,3,4]oxadiazol-2-yl)-5-is...)
Show SMILES CONC(=O)c1cc(Nc2ncnn3cc(-c4nnc(o4)C(F)F)c(C(C)C)c23)c(F)cc1F
Show InChI InChI=1S/C20H17F4N7O3/c1-8(2)14-10(19-28-29-20(34-19)16(23)24)6-31-15(14)17(25-7-26-31)27-13-4-9(18(32)30-33-3)11(21)5-12(13)22/h4-8,16H,1-3H3,(H,30,32)(H,25,26,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition against human HER2 kinase


J Med Chem 48: 3991-4008 (2005)


Article DOI: 10.1021/jm0501275
BindingDB Entry DOI: 10.7270/Q2KP81QN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50168403
PNG
(5-[6-(5-Difluoromethyl-[1,3,4]oxadiazol-2-yl)-5-is...)
Show SMILES CONC(=O)c1cc(Nc2ncnn3cc(-c4nnc(o4)C(F)F)c(C(C)C)c23)c(F)cc1F
Show InChI InChI=1S/C20H17F4N7O3/c1-8(2)14-10(19-28-29-20(34-19)16(23)24)6-31-15(14)17(25-7-26-31)27-13-4-9(18(32)30-33-3)11(21)5-12(13)22/h4-8,16H,1-3H3,(H,30,32)(H,25,26,27)
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n/an/a 1.80E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human p56 lck tyrosine kinase


J Med Chem 48: 3991-4008 (2005)


Article DOI: 10.1021/jm0501275
BindingDB Entry DOI: 10.7270/Q2KP81QN
More data for this
Ligand-Target Pair