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SMILES: CCOc1cc2ncnc(NC3=CC(=O)C(OCc4ccccc4)=CC3=O)c2cc1NC(=O)\C=C\CN(C)C

InChI Key: InChIKey=OZJNFEMRGXMBKA-DHZHZOJOSA-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 = 50209879   
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))
BDBM50209879
PNG
((2E)-N-(4-{[4-(benzyloxy)-3,6-dioxocyclohexa-1,4-d...)
Show SMILES CCOc1cc2ncnc(NC3=CC(=O)C(OCc4ccccc4)=CC3=O)c2cc1NC(=O)\C=C\CN(C)C |c:24,t:11|
Show InChI InChI=1S/C29H29N5O5/c1-4-38-26-15-21-20(13-23(26)32-28(37)11-8-12-34(2)3)29(31-18-30-21)33-22-14-25(36)27(16-24(22)35)39-17-19-9-6-5-7-10-19/h5-11,13-16,18H,4,12,17H2,1-3H3,(H,32,37)(H,30,31,33)/b11-8+
PDB
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KEGG

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 18.7n/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))
BDBM50209879
PNG
((2E)-N-(4-{[4-(benzyloxy)-3,6-dioxocyclohexa-1,4-d...)
Show SMILES CCOc1cc2ncnc(NC3=CC(=O)C(OCc4ccccc4)=CC3=O)c2cc1NC(=O)\C=C\CN(C)C |c:24,t:11|
Show InChI InChI=1S/C29H29N5O5/c1-4-38-26-15-21-20(13-23(26)32-28(37)11-8-12-34(2)3)29(31-18-30-21)33-22-14-25(36)27(16-24(22)35)39-17-19-9-6-5-7-10-19/h5-11,13-16,18H,4,12,17H2,1-3H3,(H,32,37)(H,30,31,33)/b11-8+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 216n/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))
BDBM50209879
PNG
((2E)-N-(4-{[4-(benzyloxy)-3,6-dioxocyclohexa-1,4-d...)
Show SMILES CCOc1cc2ncnc(NC3=CC(=O)C(OCc4ccccc4)=CC3=O)c2cc1NC(=O)\C=C\CN(C)C |c:24,t:11|
Show InChI InChI=1S/C29H29N5O5/c1-4-38-26-15-21-20(13-23(26)32-28(37)11-8-12-34(2)3)29(31-18-30-21)33-22-14-25(36)27(16-24(22)35)39-17-19-9-6-5-7-10-19/h5-11,13-16,18H,4,12,17H2,1-3H3,(H,32,37)(H,30,31,33)/b11-8+
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 783n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50209879
PNG
((2E)-N-(4-{[4-(benzyloxy)-3,6-dioxocyclohexa-1,4-d...)
Show SMILES CCOc1cc2ncnc(NC3=CC(=O)C(OCc4ccccc4)=CC3=O)c2cc1NC(=O)\C=C\CN(C)C |c:24,t:11|
Show InChI InChI=1S/C29H29N5O5/c1-4-38-26-15-21-20(13-23(26)32-28(37)11-8-12-34(2)3)29(31-18-30-21)33-22-14-25(36)27(16-24(22)35)39-17-19-9-6-5-7-10-19/h5-11,13-16,18H,4,12,17H2,1-3H3,(H,32,37)(H,30,31,33)/b11-8+
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 102n/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