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SMILES: CCOc1cc2ncnc(NC3=CC(=O)C(OCc4ccc(F)c(F)c4)=CC3=O)c2cc1NC(=O)\C=C\CN(C)C

InChI Key: InChIKey=CCIOQSAJAUYKQV-AATRIKPKSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50209880   
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))
BDBM50209880
PNG
((2E)-N-[4-({4-[(3,4-difluorobenzyl)oxy]-3,6-dioxoc...)
Show SMILES CCOc1cc2ncnc(NC3=CC(=O)C(OCc4ccc(F)c(F)c4)=CC3=O)c2cc1NC(=O)\C=C\CN(C)C |c:26,t:11|
Show InChI InChI=1S/C29H27F2N5O5/c1-4-40-26-13-21-18(11-23(26)34-28(39)6-5-9-36(2)3)29(33-16-32-21)35-22-12-25(38)27(14-24(22)37)41-15-17-7-8-19(30)20(31)10-17/h5-8,10-14,16H,4,9,15H2,1-3H3,(H,34,39)(H,32,33,35)/b6-5+
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n/an/a 112n/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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50209880
PNG
((2E)-N-[4-({4-[(3,4-difluorobenzyl)oxy]-3,6-dioxoc...)
Show SMILES CCOc1cc2ncnc(NC3=CC(=O)C(OCc4ccc(F)c(F)c4)=CC3=O)c2cc1NC(=O)\C=C\CN(C)C |c:26,t:11|
Show InChI InChI=1S/C29H27F2N5O5/c1-4-40-26-13-21-18(11-23(26)34-28(39)6-5-9-36(2)3)29(33-16-32-21)35-22-12-25(38)27(14-24(22)37)41-15-17-7-8-19(30)20(31)10-17/h5-8,10-14,16H,4,9,15H2,1-3H3,(H,34,39)(H,32,33,35)/b6-5+
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B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 167n/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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50209880
PNG
((2E)-N-[4-({4-[(3,4-difluorobenzyl)oxy]-3,6-dioxoc...)
Show SMILES CCOc1cc2ncnc(NC3=CC(=O)C(OCc4ccc(F)c(F)c4)=CC3=O)c2cc1NC(=O)\C=C\CN(C)C |c:26,t:11|
Show InChI InChI=1S/C29H27F2N5O5/c1-4-40-26-13-21-18(11-23(26)34-28(39)6-5-9-36(2)3)29(33-16-32-21)35-22-12-25(38)27(14-24(22)37)41-15-17-7-8-19(30)20(31)10-17/h5-8,10-14,16H,4,9,15H2,1-3H3,(H,34,39)(H,32,33,35)/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 894n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50209880
PNG
((2E)-N-[4-({4-[(3,4-difluorobenzyl)oxy]-3,6-dioxoc...)
Show SMILES CCOc1cc2ncnc(NC3=CC(=O)C(OCc4ccc(F)c(F)c4)=CC3=O)c2cc1NC(=O)\C=C\CN(C)C |c:26,t:11|
Show InChI InChI=1S/C29H27F2N5O5/c1-4-40-26-13-21-18(11-23(26)34-28(39)6-5-9-36(2)3)29(33-16-32-21)35-22-12-25(38)27(14-24(22)37)41-15-17-7-8-19(30)20(31)10-17/h5-8,10-14,16H,4,9,15H2,1-3H3,(H,34,39)(H,32,33,35)/b6-5+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 550n/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