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SMILES: CCOc1cc2ncnc(NC3=CC(=O)C(OCc4cccc(F)c4)=CC3=O)c2cc1NC(=O)\C=C\CN(C)C

InChI Key: InChIKey=XRLIPUSFUDXFGS-RMKNXTFCSA-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 = 50209886   
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))
BDBM50209886
PNG
((2E)-4-(dimethylamino)-N-[7-ethoxy-4-({4-[(3-fluor...)
Show SMILES CCOc1cc2ncnc(NC3=CC(=O)C(OCc4cccc(F)c4)=CC3=O)c2cc1NC(=O)\C=C\CN(C)C |c:25,t:11|
Show InChI InChI=1S/C29H28FN5O5/c1-4-39-26-14-21-20(12-23(26)33-28(38)9-6-10-35(2)3)29(32-17-31-21)34-22-13-25(37)27(15-24(22)36)40-16-18-7-5-8-19(30)11-18/h5-9,11-15,17H,4,10,16H2,1-3H3,(H,33,38)(H,31,32,34)/b9-6+
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Article
PubMed
n/an/a 43.1n/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))
BDBM50209886
PNG
((2E)-4-(dimethylamino)-N-[7-ethoxy-4-({4-[(3-fluor...)
Show SMILES CCOc1cc2ncnc(NC3=CC(=O)C(OCc4cccc(F)c4)=CC3=O)c2cc1NC(=O)\C=C\CN(C)C |c:25,t:11|
Show InChI InChI=1S/C29H28FN5O5/c1-4-39-26-14-21-20(12-23(26)33-28(38)9-6-10-35(2)3)29(32-17-31-21)34-22-13-25(37)27(15-24(22)36)40-16-18-7-5-8-19(30)11-18/h5-9,11-15,17H,4,10,16H2,1-3H3,(H,33,38)(H,31,32,34)/b9-6+
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KEGG

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B.MOAD
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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.10n/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))
BDBM50209886
PNG
((2E)-4-(dimethylamino)-N-[7-ethoxy-4-({4-[(3-fluor...)
Show SMILES CCOc1cc2ncnc(NC3=CC(=O)C(OCc4cccc(F)c4)=CC3=O)c2cc1NC(=O)\C=C\CN(C)C |c:25,t:11|
Show InChI InChI=1S/C29H28FN5O5/c1-4-39-26-14-21-20(12-23(26)33-28(38)9-6-10-35(2)3)29(32-17-31-21)34-22-13-25(37)27(15-24(22)36)40-16-18-7-5-8-19(30)11-18/h5-9,11-15,17H,4,10,16H2,1-3H3,(H,33,38)(H,31,32,34)/b9-6+
PDB
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KEGG

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 113n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50209886
PNG
((2E)-4-(dimethylamino)-N-[7-ethoxy-4-({4-[(3-fluor...)
Show SMILES CCOc1cc2ncnc(NC3=CC(=O)C(OCc4cccc(F)c4)=CC3=O)c2cc1NC(=O)\C=C\CN(C)C |c:25,t:11|
Show InChI InChI=1S/C29H28FN5O5/c1-4-39-26-14-21-20(12-23(26)33-28(38)9-6-10-35(2)3)29(32-17-31-21)34-22-13-25(37)27(15-24(22)36)40-16-18-7-5-8-19(30)11-18/h5-9,11-15,17H,4,10,16H2,1-3H3,(H,33,38)(H,31,32,34)/b9-6+
PDB
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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 348n/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