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SMILES: CCOc1cc2ncnc(NC3=CC(=O)C(OC(CF)CF)=CC3=O)c2cc1NC(=O)\C=C\CN(C)C

InChI Key: InChIKey=DUIPPPAQSCDKSG-AATRIKPKSA-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 4 hits for monomerid = 50209881   
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))
BDBM50209881
PNG
((2E)-4-(dimethylamino)-N-[7-ethoxy-4-({4-[2-fluoro...)
Show SMILES CCOc1cc2ncnc(NC3=CC(=O)C(OC(CF)CF)=CC3=O)c2cc1NC(=O)\C=C\CN(C)C |c:21,t:11|
Show InChI InChI=1S/C25H27F2N5O5/c1-4-36-22-10-17-16(8-19(22)30-24(35)6-5-7-32(2)3)25(29-14-28-17)31-18-9-21(34)23(11-20(18)33)37-15(12-26)13-27/h5-6,8-11,14-15H,4,7,12-13H2,1-3H3,(H,30,35)(H,28,29,31)/b6-5+
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n/an/a 303n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2 in presence of 1 mM ATP


Bioorg Med Chem 15: 3635-48 (2007)


Article DOI: 10.1016/j.bmc.2007.03.055
BindingDB Entry DOI: 10.7270/Q2GF0VB8
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50209881
PNG
((2E)-4-(dimethylamino)-N-[7-ethoxy-4-({4-[2-fluoro...)
Show SMILES CCOc1cc2ncnc(NC3=CC(=O)C(OC(CF)CF)=CC3=O)c2cc1NC(=O)\C=C\CN(C)C |c:21,t:11|
Show InChI InChI=1S/C25H27F2N5O5/c1-4-36-22-10-17-16(8-19(22)30-24(35)6-5-7-32(2)3)25(29-14-28-17)31-18-9-21(34)23(11-20(18)33)37-15(12-26)13-27/h5-6,8-11,14-15H,4,7,12-13H2,1-3H3,(H,30,35)(H,28,29,31)/b6-5+
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PubMed
n/an/a 2.09E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human EGFR in presence of 1 mM ATP


Bioorg Med Chem 15: 3635-48 (2007)


Article DOI: 10.1016/j.bmc.2007.03.055
BindingDB Entry DOI: 10.7270/Q2GF0VB8
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50209881
PNG
((2E)-4-(dimethylamino)-N-[7-ethoxy-4-({4-[2-fluoro...)
Show SMILES CCOc1cc2ncnc(NC3=CC(=O)C(OC(CF)CF)=CC3=O)c2cc1NC(=O)\C=C\CN(C)C |c:21,t:11|
Show InChI InChI=1S/C25H27F2N5O5/c1-4-36-22-10-17-16(8-19(22)30-24(35)6-5-7-32(2)3)25(29-14-28-17)31-18-9-21(34)23(11-20(18)33)37-15(12-26)13-27/h5-6,8-11,14-15H,4,7,12-13H2,1-3H3,(H,30,35)(H,28,29,31)/b6-5+
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 283n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human EGFR in presence of 1 uM ATP


Bioorg Med Chem 15: 3635-48 (2007)


Article DOI: 10.1016/j.bmc.2007.03.055
BindingDB Entry DOI: 10.7270/Q2GF0VB8
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50209881
PNG
((2E)-4-(dimethylamino)-N-[7-ethoxy-4-({4-[2-fluoro...)
Show SMILES CCOc1cc2ncnc(NC3=CC(=O)C(OC(CF)CF)=CC3=O)c2cc1NC(=O)\C=C\CN(C)C |c:21,t:11|
Show InChI InChI=1S/C25H27F2N5O5/c1-4-36-22-10-17-16(8-19(22)30-24(35)6-5-7-32(2)3)25(29-14-28-17)31-18-9-21(34)23(11-20(18)33)37-15(12-26)13-27/h5-6,8-11,14-15H,4,7,12-13H2,1-3H3,(H,30,35)(H,28,29,31)/b6-5+
PDB
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 109n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2 in presence of 1 uM ATP


Bioorg Med Chem 15: 3635-48 (2007)


Article DOI: 10.1016/j.bmc.2007.03.055
BindingDB Entry DOI: 10.7270/Q2GF0VB8
More data for this
Ligand-Target Pair