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SMILES: CCCCNC(=O)c1ccc2NC(=O)C(=C(c3nc4ccccc4[nH]3)c3ccccc3)c2c1

InChI Key: InChIKey=XZPCRXOMUZGUNA-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50421017   
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))
BDBM50421017
PNG
(CHEMBL2086744)
Show SMILES CCCCNC(=O)c1ccc2NC(=O)C(=C(c3nc4ccccc4[nH]3)c3ccccc3)c2c1
Show InChI InChI=1S/C27H24N4O2/c1-2-3-15-28-26(32)18-13-14-20-19(16-18)24(27(33)31-20)23(17-9-5-4-6-10-17)25-29-21-11-7-8-12-22(21)30-25/h4-14,16H,2-3,15H2,1H3,(H,28,32)(H,29,30)(H,31,33)
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n/an/a 15n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged KDR after 4 hrs by luciferase-luciferin coupled chemiluminescence assay


Bioorg Med Chem Lett 22: 4979-85 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.029
BindingDB Entry DOI: 10.7270/Q2XG9SD4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50421017
PNG
(CHEMBL2086744)
Show SMILES CCCCNC(=O)c1ccc2NC(=O)C(=C(c3nc4ccccc4[nH]3)c3ccccc3)c2c1
Show InChI InChI=1S/C27H24N4O2/c1-2-3-15-28-26(32)18-13-14-20-19(16-18)24(27(33)31-20)23(17-9-5-4-6-10-17)25-29-21-11-7-8-12-22(21)30-25/h4-14,16H,2-3,15H2,1H3,(H,28,32)(H,29,30)(H,31,33)
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n/an/a 374n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged Flt1 using poly(Glu,Tyr) as substrate after 60 mins by alphascreen assay


Bioorg Med Chem Lett 22: 4979-85 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.029
BindingDB Entry DOI: 10.7270/Q2XG9SD4
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50421017
PNG
(CHEMBL2086744)
Show SMILES CCCCNC(=O)c1ccc2NC(=O)C(=C(c3nc4ccccc4[nH]3)c3ccccc3)c2c1
Show InChI InChI=1S/C27H24N4O2/c1-2-3-15-28-26(32)18-13-14-20-19(16-18)24(27(33)31-20)23(17-9-5-4-6-10-17)25-29-21-11-7-8-12-22(21)30-25/h4-14,16H,2-3,15H2,1H3,(H,28,32)(H,29,30)(H,31,33)
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n/an/a 3.00E+4n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 in human SK-N-MC cells assessed as inhibition of FGF-induced ERK phosphorylation incubated for 1 hr prior to VEGF-stimulation mea...


Bioorg Med Chem Lett 22: 4979-85 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.029
BindingDB Entry DOI: 10.7270/Q2XG9SD4
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50421017
PNG
(CHEMBL2086744)
Show SMILES CCCCNC(=O)c1ccc2NC(=O)C(=C(c3nc4ccccc4[nH]3)c3ccccc3)c2c1
Show InChI InChI=1S/C27H24N4O2/c1-2-3-15-28-26(32)18-13-14-20-19(16-18)24(27(33)31-20)23(17-9-5-4-6-10-17)25-29-21-11-7-8-12-22(21)30-25/h4-14,16H,2-3,15H2,1H3,(H,28,32)(H,29,30)(H,31,33)
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n/an/a 13n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged PDGFRalpha after 2 hrs by luciferase-luciferin coupled chemiluminescence assay


Bioorg Med Chem Lett 22: 4979-85 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.029
BindingDB Entry DOI: 10.7270/Q2XG9SD4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50421017
PNG
(CHEMBL2086744)
Show SMILES CCCCNC(=O)c1ccc2NC(=O)C(=C(c3nc4ccccc4[nH]3)c3ccccc3)c2c1
Show InChI InChI=1S/C27H24N4O2/c1-2-3-15-28-26(32)18-13-14-20-19(16-18)24(27(33)31-20)23(17-9-5-4-6-10-17)25-29-21-11-7-8-12-22(21)30-25/h4-14,16H,2-3,15H2,1H3,(H,28,32)(H,29,30)(H,31,33)
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n/an/a 145n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of KDR in human HUVEC cells assessed as inhibition of VEGF-induced ERK phosphorylation incubated for 1 hr prior to VEGF-stimulation measur...


Bioorg Med Chem Lett 22: 4979-85 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.029
BindingDB Entry DOI: 10.7270/Q2XG9SD4
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50421017
PNG
(CHEMBL2086744)
Show SMILES CCCCNC(=O)c1ccc2NC(=O)C(=C(c3nc4ccccc4[nH]3)c3ccccc3)c2c1
Show InChI InChI=1S/C27H24N4O2/c1-2-3-15-28-26(32)18-13-14-20-19(16-18)24(27(33)31-20)23(17-9-5-4-6-10-17)25-29-21-11-7-8-12-22(21)30-25/h4-14,16H,2-3,15H2,1H3,(H,28,32)(H,29,30)(H,31,33)
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n/an/a 326n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged FGFR1 using poly(Glu,Tyr) as substrate after 30 mins by alphascreen assay


Bioorg Med Chem Lett 22: 4979-85 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.029
BindingDB Entry DOI: 10.7270/Q2XG9SD4
More data for this
Ligand-Target Pair