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BDBM50168387 2,4-Difluoro-5-[5-isopropyl-6-(5-methyl-[1,3,4]oxadiazol-2-yl)-pyrrolo[2,1-f][1,2,4]triazin-4-ylamino]-N-methoxy-benzamide::2,4-difluoro-5-(5-isopropyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolo[1,2-f][1,2,4]triazin-4-ylamino)-N-methoxybenzamide::CHEMBL365318

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

InChI Key: InChIKey=DSBPVMDUESDKNK-UHFFFAOYSA-N

Data: 14 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 14 hits for monomerid = 50168387   
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))
BDBM50168387
PNG
(2,4-Difluoro-5-[5-isopropyl-6-(5-methyl-[1,3,4]oxa...)
Show SMILES CONC(=O)c1cc(Nc2ncnn3cc(-c4nnc(C)o4)c(C(C)C)c23)c(F)cc1F
Show InChI InChI=1S/C20H19F2N7O3/c1-9(2)16-12(20-27-26-10(3)32-20)7-29-17(16)18(23-8-24-29)25-15-5-11(19(30)28-31-4)13(21)6-14(15)22/h5-9H,1-4H3,(H,28,30)(H,23,24,25)
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n/an/a 86n/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))
BDBM50168387
PNG
(2,4-Difluoro-5-[5-isopropyl-6-(5-methyl-[1,3,4]oxa...)
Show SMILES CONC(=O)c1cc(Nc2ncnn3cc(-c4nnc(C)o4)c(C(C)C)c23)c(F)cc1F
Show InChI InChI=1S/C20H19F2N7O3/c1-9(2)16-12(20-27-26-10(3)32-20)7-29-17(16)18(23-8-24-29)25-15-5-11(19(30)28-31-4)13(21)6-14(15)22/h5-9H,1-4H3,(H,28,30)(H,23,24,25)
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n/an/a 7.60n/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
Fibroblast growth factor receptor


(Homo sapiens (Human))
BDBM50168387
PNG
(2,4-Difluoro-5-[5-isopropyl-6-(5-methyl-[1,3,4]oxa...)
Show SMILES CONC(=O)c1cc(Nc2ncnn3cc(-c4nnc(C)o4)c(C(C)C)c23)c(F)cc1F
Show InChI InChI=1S/C20H19F2N7O3/c1-9(2)16-12(20-27-26-10(3)32-20)7-29-17(16)18(23-8-24-29)25-15-5-11(19(30)28-31-4)13(21)6-14(15)22/h5-9H,1-4H3,(H,28,30)(H,23,24,25)
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n/an/a 6.5n/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))
BDBM50168387
PNG
(2,4-Difluoro-5-[5-isopropyl-6-(5-methyl-[1,3,4]oxa...)
Show SMILES CONC(=O)c1cc(Nc2ncnn3cc(-c4nnc(C)o4)c(C(C)C)c23)c(F)cc1F
Show InChI InChI=1S/C20H19F2N7O3/c1-9(2)16-12(20-27-26-10(3)32-20)7-29-17(16)18(23-8-24-29)25-15-5-11(19(30)28-31-4)13(21)6-14(15)22/h5-9H,1-4H3,(H,28,30)(H,23,24,25)
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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
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50168387
PNG
(2,4-Difluoro-5-[5-isopropyl-6-(5-methyl-[1,3,4]oxa...)
Show SMILES CONC(=O)c1cc(Nc2ncnn3cc(-c4nnc(C)o4)c(C(C)C)c23)c(F)cc1F
Show InChI InChI=1S/C20H19F2N7O3/c1-9(2)16-12(20-27-26-10(3)32-20)7-29-17(16)18(23-8-24-29)25-15-5-11(19(30)28-31-4)13(21)6-14(15)22/h5-9H,1-4H3,(H,28,30)(H,23,24,25)
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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
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50168387
PNG
(2,4-Difluoro-5-[5-isopropyl-6-(5-methyl-[1,3,4]oxa...)
Show SMILES CONC(=O)c1cc(Nc2ncnn3cc(-c4nnc(C)o4)c(C(C)C)c23)c(F)cc1F
Show InChI InChI=1S/C20H19F2N7O3/c1-9(2)16-12(20-27-26-10(3)32-20)7-29-17(16)18(23-8-24-29)25-15-5-11(19(30)28-31-4)13(21)6-14(15)22/h5-9H,1-4H3,(H,28,30)(H,23,24,25)
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n/an/a 19n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50168387
PNG
(2,4-Difluoro-5-[5-isopropyl-6-(5-methyl-[1,3,4]oxa...)
Show SMILES CONC(=O)c1cc(Nc2ncnn3cc(-c4nnc(C)o4)c(C(C)C)c23)c(F)cc1F
Show InChI InChI=1S/C20H19F2N7O3/c1-9(2)16-12(20-27-26-10(3)32-20)7-29-17(16)18(23-8-24-29)25-15-5-11(19(30)28-31-4)13(21)6-14(15)22/h5-9H,1-4H3,(H,28,30)(H,23,24,25)
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n/an/a 18n/an/an/an/an/an/a



Shanghai Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of KDR


Bioorg Med Chem Lett 17: 2126-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.089
BindingDB Entry DOI: 10.7270/Q2S1839D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50168387
PNG
(2,4-Difluoro-5-[5-isopropyl-6-(5-methyl-[1,3,4]oxa...)
Show SMILES CONC(=O)c1cc(Nc2ncnn3cc(-c4nnc(C)o4)c(C(C)C)c23)c(F)cc1F
Show InChI InChI=1S/C20H19F2N7O3/c1-9(2)16-12(20-27-26-10(3)32-20)7-29-17(16)18(23-8-24-29)25-15-5-11(19(30)28-31-4)13(21)6-14(15)22/h5-9H,1-4H3,(H,28,30)(H,23,24,25)
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n/an/a 500n/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
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50168387
PNG
(2,4-Difluoro-5-[5-isopropyl-6-(5-methyl-[1,3,4]oxa...)
Show SMILES CONC(=O)c1cc(Nc2ncnn3cc(-c4nnc(C)o4)c(C(C)C)c23)c(F)cc1F
Show InChI InChI=1S/C20H19F2N7O3/c1-9(2)16-12(20-27-26-10(3)32-20)7-29-17(16)18(23-8-24-29)25-15-5-11(19(30)28-31-4)13(21)6-14(15)22/h5-9H,1-4H3,(H,28,30)(H,23,24,25)
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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))
BDBM50168387
PNG
(2,4-Difluoro-5-[5-isopropyl-6-(5-methyl-[1,3,4]oxa...)
Show SMILES CONC(=O)c1cc(Nc2ncnn3cc(-c4nnc(C)o4)c(C(C)C)c23)c(F)cc1F
Show InChI InChI=1S/C20H19F2N7O3/c1-9(2)16-12(20-27-26-10(3)32-20)7-29-17(16)18(23-8-24-29)25-15-5-11(19(30)28-31-4)13(21)6-14(15)22/h5-9H,1-4H3,(H,28,30)(H,23,24,25)
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n/an/a 18n/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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50168387
PNG
(2,4-Difluoro-5-[5-isopropyl-6-(5-methyl-[1,3,4]oxa...)
Show SMILES CONC(=O)c1cc(Nc2ncnn3cc(-c4nnc(C)o4)c(C(C)C)c23)c(F)cc1F
Show InChI InChI=1S/C20H19F2N7O3/c1-9(2)16-12(20-27-26-10(3)32-20)7-29-17(16)18(23-8-24-29)25-15-5-11(19(30)28-31-4)13(21)6-14(15)22/h5-9H,1-4H3,(H,28,30)(H,23,24,25)
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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
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50168387
PNG
(2,4-Difluoro-5-[5-isopropyl-6-(5-methyl-[1,3,4]oxa...)
Show SMILES CONC(=O)c1cc(Nc2ncnn3cc(-c4nnc(C)o4)c(C(C)C)c23)c(F)cc1F
Show InChI InChI=1S/C20H19F2N7O3/c1-9(2)16-12(20-27-26-10(3)32-20)7-29-17(16)18(23-8-24-29)25-15-5-11(19(30)28-31-4)13(21)6-14(15)22/h5-9H,1-4H3,(H,28,30)(H,23,24,25)
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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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50168387
PNG
(2,4-Difluoro-5-[5-isopropyl-6-(5-methyl-[1,3,4]oxa...)
Show SMILES CONC(=O)c1cc(Nc2ncnn3cc(-c4nnc(C)o4)c(C(C)C)c23)c(F)cc1F
Show InChI InChI=1S/C20H19F2N7O3/c1-9(2)16-12(20-27-26-10(3)32-20)7-29-17(16)18(23-8-24-29)25-15-5-11(19(30)28-31-4)13(21)6-14(15)22/h5-9H,1-4H3,(H,28,30)(H,23,24,25)
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n/an/a 18n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FLK1


J Med Chem 49: 3766-9 (2006)


Article DOI: 10.1021/jm060347y
BindingDB Entry DOI: 10.7270/Q2PG1RBM
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50168387
PNG
(2,4-Difluoro-5-[5-isopropyl-6-(5-methyl-[1,3,4]oxa...)
Show SMILES CONC(=O)c1cc(Nc2ncnn3cc(-c4nnc(C)o4)c(C(C)C)c23)c(F)cc1F
Show InChI InChI=1S/C20H19F2N7O3/c1-9(2)16-12(20-27-26-10(3)32-20)7-29-17(16)18(23-8-24-29)25-15-5-11(19(30)28-31-4)13(21)6-14(15)22/h5-9H,1-4H3,(H,28,30)(H,23,24,25)
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n/an/a 8.00E+3n/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