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BDBM50002590 CHEMBL2113182

SMILES: COCCOc1cc2ncnc(NC3=CC(=O)C(OCc4ccc(F)cc4)=CC3=O)c2cc1OC

InChI Key: InChIKey=UGFSMYYKVIDJFS-UHFFFAOYSA-N

Data: 4 IC50

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 = 50002590   
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))
BDBM50002590
PNG
(CHEMBL2113182)
Show SMILES COCCOc1cc2ncnc(NC3=CC(=O)C(OCc4ccc(F)cc4)=CC3=O)c2cc1OC
Show InChI InChI=1S/C25H22FN3O6/c1-32-7-8-34-24-11-18-17(9-23(24)33-2)25(28-14-27-18)29-19-10-21(31)22(12-20(19)30)35-13-15-3-5-16(26)6-4-15/h3-6,9-12,14H,7-8,13H2,1-2H3,(H,27,28,29)
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Article
PubMed
n/an/a 24n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP


J Med Chem 48: 7560-81 (2005)


Article DOI: 10.1021/jm050559f
BindingDB Entry DOI: 10.7270/Q2028R3S
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50002590
PNG
(CHEMBL2113182)
Show SMILES COCCOc1cc2ncnc(NC3=CC(=O)C(OCc4ccc(F)cc4)=CC3=O)c2cc1OC
Show InChI InChI=1S/C25H22FN3O6/c1-32-7-8-34-24-11-18-17(9-23(24)33-2)25(28-14-27-18)29-19-10-21(31)22(12-20(19)30)35-13-15-3-5-16(26)6-4-15/h3-6,9-12,14H,7-8,13H2,1-2H3,(H,27,28,29)
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PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory activity against VEGF stimulated autophosphorylation of VEGFR2 expressed in KDR15 cells


J Med Chem 48: 7560-81 (2005)


Article DOI: 10.1021/jm050559f
BindingDB Entry DOI: 10.7270/Q2028R3S
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50002590
PNG
(CHEMBL2113182)
Show SMILES COCCOc1cc2ncnc(NC3=CC(=O)C(OCc4ccc(F)cc4)=CC3=O)c2cc1OC
Show InChI InChI=1S/C25H22FN3O6/c1-32-7-8-34-24-11-18-17(9-23(24)33-2)25(28-14-27-18)29-19-10-21(31)22(12-20(19)30)35-13-15-3-5-16(26)6-4-15/h3-6,9-12,14H,7-8,13H2,1-2H3,(H,27,28,29)
PDB
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UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
n/an/a 33n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP and in presence of 100 uM glutathione


J Med Chem 48: 7560-81 (2005)


Article DOI: 10.1021/jm050559f
BindingDB Entry DOI: 10.7270/Q2028R3S
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50002590
PNG
(CHEMBL2113182)
Show SMILES COCCOc1cc2ncnc(NC3=CC(=O)C(OCc4ccc(F)cc4)=CC3=O)c2cc1OC
Show InChI InChI=1S/C25H22FN3O6/c1-32-7-8-34-24-11-18-17(9-23(24)33-2)25(28-14-27-18)29-19-10-21(31)22(12-20(19)30)35-13-15-3-5-16(26)6-4-15/h3-6,9-12,14H,7-8,13H2,1-2H3,(H,27,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 239n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP and in presence of 5% mouse plasma


J Med Chem 48: 7560-81 (2005)


Article DOI: 10.1021/jm050559f
BindingDB Entry DOI: 10.7270/Q2028R3S
More data for this
Ligand-Target Pair