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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Vascular endothelial growth factor receptor 3' and Ligand = 'BDBM50399538'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50399538
PNG
(BAY-579352 | CHEMBL2079588)
Show SMILES CNC(=O)c1cc(COc2nnc(Nc3ccc(Cl)cc3)c3ccoc23)ccn1
Show InChI InChI=1S/C20H16ClN5O3/c1-22-19(27)16-10-12(6-8-23-16)11-29-20-17-15(7-9-28-17)18(25-26-20)24-14-4-2-13(21)3-5-14/h2-10H,11H2,1H3,(H,22,27)(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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CHEMBL
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of VEGFR3 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00678
BindingDB Entry DOI: 10.7270/Q2Q2443B
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50399538
PNG
(BAY-579352 | CHEMBL2079588)
Show SMILES CNC(=O)c1cc(COc2nnc(Nc3ccc(Cl)cc3)c3ccoc23)ccn1
Show InChI InChI=1S/C20H16ClN5O3/c1-22-19(27)16-10-12(6-8-23-16)11-29-20-17-15(7-9-28-17)18(25-26-20)24-14-4-2-13(21)3-5-14/h2-10H,11H2,1H3,(H,22,27)(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3


J Med Chem 55: 10797-822 (2012)


Article DOI: 10.1021/jm301085w
BindingDB Entry DOI: 10.7270/Q2BP03XZ
More data for this
Ligand-Target Pair