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

InChI Key: InChIKey=FWQHTPQAWDKGBW-JXMROGBWSA-N

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50209883   
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))
BDBM50209883
PNG
((2E)-4-(dimethylamino)-N-[7-ethoxy-4-({4-[(3-methy...)
Show SMILES CCOc1cc2ncnc(NC3=CC(=O)C(OCc4cccc(C)c4)=CC3=O)c2cc1NC(=O)\C=C\CN(C)C |c:25,t:11|
Show InChI InChI=1S/C30H31N5O5/c1-5-39-27-15-22-21(13-24(27)33-29(38)10-7-11-35(3)4)30(32-18-31-22)34-23-14-26(37)28(16-25(23)36)40-17-20-9-6-8-19(2)12-20/h6-10,12-16,18H,5,11,17H2,1-4H3,(H,33,38)(H,31,32,34)/b10-7+
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n/an/a 173n/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))
BDBM50209883
PNG
((2E)-4-(dimethylamino)-N-[7-ethoxy-4-({4-[(3-methy...)
Show SMILES CCOc1cc2ncnc(NC3=CC(=O)C(OCc4cccc(C)c4)=CC3=O)c2cc1NC(=O)\C=C\CN(C)C |c:25,t:11|
Show InChI InChI=1S/C30H31N5O5/c1-5-39-27-15-22-21(13-24(27)33-29(38)10-7-11-35(3)4)30(32-18-31-22)34-23-14-26(37)28(16-25(23)36)40-17-20-9-6-8-19(2)12-20/h6-10,12-16,18H,5,11,17H2,1-4H3,(H,33,38)(H,31,32,34)/b10-7+
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PC sid
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Article
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n/an/a 613n/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))
BDBM50209883
PNG
((2E)-4-(dimethylamino)-N-[7-ethoxy-4-({4-[(3-methy...)
Show SMILES CCOc1cc2ncnc(NC3=CC(=O)C(OCc4cccc(C)c4)=CC3=O)c2cc1NC(=O)\C=C\CN(C)C |c:25,t:11|
Show InChI InChI=1S/C30H31N5O5/c1-5-39-27-15-22-21(13-24(27)33-29(38)10-7-11-35(3)4)30(32-18-31-22)34-23-14-26(37)28(16-25(23)36)40-17-20-9-6-8-19(2)12-20/h6-10,12-16,18H,5,11,17H2,1-4H3,(H,33,38)(H,31,32,34)/b10-7+
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 24.9n/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))
BDBM50209883
PNG
((2E)-4-(dimethylamino)-N-[7-ethoxy-4-({4-[(3-methy...)
Show SMILES CCOc1cc2ncnc(NC3=CC(=O)C(OCc4cccc(C)c4)=CC3=O)c2cc1NC(=O)\C=C\CN(C)C |c:25,t:11|
Show InChI InChI=1S/C30H31N5O5/c1-5-39-27-15-22-21(13-24(27)33-29(38)10-7-11-35(3)4)30(32-18-31-22)34-23-14-26(37)28(16-25(23)36)40-17-20-9-6-8-19(2)12-20/h6-10,12-16,18H,5,11,17H2,1-4H3,(H,33,38)(H,31,32,34)/b10-7+
PDB
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NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 189n/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