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SMILES: Nc1nc(Nc2cccc(c2)C(F)(F)F)c2cc(CCc3ccccc3)[nH]c2n1

InChI Key: InChIKey=NVASTOUZGCQGCD-UHFFFAOYSA-N

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 8 hits for monomerid = 50271848   
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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50271848
PNG
(6-phenethyl-N4-(3-(trifluoromethyl)phenyl)-7H-pyrr...)
Show SMILES Nc1nc(Nc2cccc(c2)C(F)(F)F)c2cc(CCc3ccccc3)[nH]c2n1
Show InChI InChI=1S/C21H18F3N5/c22-21(23,24)14-7-4-8-15(11-14)26-18-17-12-16(27-19(17)29-20(25)28-18)10-9-13-5-2-1-3-6-13/h1-8,11-12H,9-10H2,(H4,25,26,27,28,29)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) expressed in human tumor cells


Bioorg Med Chem 16: 5514-28 (2008)


Article DOI: 10.1016/j.bmc.2008.04.019
BindingDB Entry DOI: 10.7270/Q2GF0T9D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50271848
PNG
(6-phenethyl-N4-(3-(trifluoromethyl)phenyl)-7H-pyrr...)
Show SMILES Nc1nc(Nc2cccc(c2)C(F)(F)F)c2cc(CCc3ccccc3)[nH]c2n1
Show InChI InChI=1S/C21H18F3N5/c22-21(23,24)14-7-4-8-15(11-14)26-18-17-12-16(27-19(17)29-20(25)28-18)10-9-13-5-2-1-3-6-13/h1-8,11-12H,9-10H2,(H4,25,26,27,28,29)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR1 (unknown origin) expressed in human tumor cells


Bioorg Med Chem 16: 5514-28 (2008)


Article DOI: 10.1016/j.bmc.2008.04.019
BindingDB Entry DOI: 10.7270/Q2GF0T9D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50271848
PNG
(6-phenethyl-N4-(3-(trifluoromethyl)phenyl)-7H-pyrr...)
Show SMILES Nc1nc(Nc2cccc(c2)C(F)(F)F)c2cc(CCc3ccccc3)[nH]c2n1
Show InChI InChI=1S/C21H18F3N5/c22-21(23,24)14-7-4-8-15(11-14)26-18-17-12-16(27-19(17)29-20(25)28-18)10-9-13-5-2-1-3-6-13/h1-8,11-12H,9-10H2,(H4,25,26,27,28,29)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) expressed in human tumor cells


Bioorg Med Chem 16: 5514-28 (2008)


Article DOI: 10.1016/j.bmc.2008.04.019
BindingDB Entry DOI: 10.7270/Q2GF0T9D
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50271848
PNG
(6-phenethyl-N4-(3-(trifluoromethyl)phenyl)-7H-pyrr...)
Show SMILES Nc1nc(Nc2cccc(c2)C(F)(F)F)c2cc(CCc3ccccc3)[nH]c2n1
Show InChI InChI=1S/C21H18F3N5/c22-21(23,24)14-7-4-8-15(11-14)26-18-17-12-16(27-19(17)29-20(25)28-18)10-9-13-5-2-1-3-6-13/h1-8,11-12H,9-10H2,(H4,25,26,27,28,29)
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n/an/a>5.00E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta


Bioorg Med Chem Lett 20: 3177-81 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.064
BindingDB Entry DOI: 10.7270/Q23R0T2Z
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50271848
PNG
(6-phenethyl-N4-(3-(trifluoromethyl)phenyl)-7H-pyrr...)
Show SMILES Nc1nc(Nc2cccc(c2)C(F)(F)F)c2cc(CCc3ccccc3)[nH]c2n1
Show InChI InChI=1S/C21H18F3N5/c22-21(23,24)14-7-4-8-15(11-14)26-18-17-12-16(27-19(17)29-20(25)28-18)10-9-13-5-2-1-3-6-13/h1-8,11-12H,9-10H2,(H4,25,26,27,28,29)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 20: 3177-81 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.064
BindingDB Entry DOI: 10.7270/Q23R0T2Z
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50271848
PNG
(6-phenethyl-N4-(3-(trifluoromethyl)phenyl)-7H-pyrr...)
Show SMILES Nc1nc(Nc2cccc(c2)C(F)(F)F)c2cc(CCc3ccccc3)[nH]c2n1
Show InChI InChI=1S/C21H18F3N5/c22-21(23,24)14-7-4-8-15(11-14)26-18-17-12-16(27-19(17)29-20(25)28-18)10-9-13-5-2-1-3-6-13/h1-8,11-12H,9-10H2,(H4,25,26,27,28,29)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR1


Bioorg Med Chem Lett 20: 3177-81 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.064
BindingDB Entry DOI: 10.7270/Q23R0T2Z
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50271848
PNG
(6-phenethyl-N4-(3-(trifluoromethyl)phenyl)-7H-pyrr...)
Show SMILES Nc1nc(Nc2cccc(c2)C(F)(F)F)c2cc(CCc3ccccc3)[nH]c2n1
Show InChI InChI=1S/C21H18F3N5/c22-21(23,24)14-7-4-8-15(11-14)26-18-17-12-16(27-19(17)29-20(25)28-18)10-9-13-5-2-1-3-6-13/h1-8,11-12H,9-10H2,(H4,25,26,27,28,29)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 20: 3177-81 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.064
BindingDB Entry DOI: 10.7270/Q23R0T2Z
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50271848
PNG
(6-phenethyl-N4-(3-(trifluoromethyl)phenyl)-7H-pyrr...)
Show SMILES Nc1nc(Nc2cccc(c2)C(F)(F)F)c2cc(CCc3ccccc3)[nH]c2n1
Show InChI InChI=1S/C21H18F3N5/c22-21(23,24)14-7-4-8-15(11-14)26-18-17-12-16(27-19(17)29-20(25)28-18)10-9-13-5-2-1-3-6-13/h1-8,11-12H,9-10H2,(H4,25,26,27,28,29)
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PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta (unknown origin) expressed in human tumor cells


Bioorg Med Chem 16: 5514-28 (2008)


Article DOI: 10.1016/j.bmc.2008.04.019
BindingDB Entry DOI: 10.7270/Q2GF0T9D
More data for this
Ligand-Target Pair