BindingDB logo
myBDB logout

null

SMILES: CCOc1cc2ncnc(NC3=CC(=O)C(OCc4cccs4)=CC3=O)c2cc1NC(=O)\C=C\CN(C)C

InChI Key: InChIKey=NZFPJFMKRLAGLA-VMPITWQZSA-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 = 50209884   
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))
BDBM50209884
PNG
((2E)-4-(dimethylamino)-N-(4-{[3,6-dioxo-4-(2-thien...)
Show SMILES CCOc1cc2ncnc(NC3=CC(=O)C(OCc4cccs4)=CC3=O)c2cc1NC(=O)\C=C\CN(C)C |c:23,t:11|
Show InChI InChI=1S/C27H27N5O5S/c1-4-36-24-13-19-18(11-21(24)30-26(35)8-5-9-32(2)3)27(29-16-28-19)31-20-12-23(34)25(14-22(20)33)37-15-17-7-6-10-38-17/h5-8,10-14,16H,4,9,15H2,1-3H3,(H,30,35)(H,28,29,31)/b8-5+
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 76.2n/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))
BDBM50209884
PNG
((2E)-4-(dimethylamino)-N-(4-{[3,6-dioxo-4-(2-thien...)
Show SMILES CCOc1cc2ncnc(NC3=CC(=O)C(OCc4cccs4)=CC3=O)c2cc1NC(=O)\C=C\CN(C)C |c:23,t:11|
Show InChI InChI=1S/C27H27N5O5S/c1-4-36-24-13-19-18(11-21(24)30-26(35)8-5-9-32(2)3)27(29-16-28-19)31-20-12-23(34)25(14-22(20)33)37-15-17-7-6-10-38-17/h5-8,10-14,16H,4,9,15H2,1-3H3,(H,30,35)(H,28,29,31)/b8-5+
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 298n/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))
BDBM50209884
PNG
((2E)-4-(dimethylamino)-N-(4-{[3,6-dioxo-4-(2-thien...)
Show SMILES CCOc1cc2ncnc(NC3=CC(=O)C(OCc4cccs4)=CC3=O)c2cc1NC(=O)\C=C\CN(C)C |c:23,t:11|
Show InChI InChI=1S/C27H27N5O5S/c1-4-36-24-13-19-18(11-21(24)30-26(35)8-5-9-32(2)3)27(29-16-28-19)31-20-12-23(34)25(14-22(20)33)37-15-17-7-6-10-38-17/h5-8,10-14,16H,4,9,15H2,1-3H3,(H,30,35)(H,28,29,31)/b8-5+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 47.5n/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))
BDBM50209884
PNG
((2E)-4-(dimethylamino)-N-(4-{[3,6-dioxo-4-(2-thien...)
Show SMILES CCOc1cc2ncnc(NC3=CC(=O)C(OCc4cccs4)=CC3=O)c2cc1NC(=O)\C=C\CN(C)C |c:23,t:11|
Show InChI InChI=1S/C27H27N5O5S/c1-4-36-24-13-19-18(11-21(24)30-26(35)8-5-9-32(2)3)27(29-16-28-19)31-20-12-23(34)25(14-22(20)33)37-15-17-7-6-10-38-17/h5-8,10-14,16H,4,9,15H2,1-3H3,(H,30,35)(H,28,29,31)/b8-5+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 295n/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