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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 2' and Ligand = 'BDBM445254'   
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 2


(Homo sapiens (Human))
BDBM445254
PNG
(US10669235, Example 45 | US11208381, Example 45)
Show SMILES COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)N3CCC(O)(CN4CCOCC4)CC3)c3ccccc3)c2cc1C
Show InChI InChI=1S/C35H38N4O6/c1-23-20-28-29(21-27(23)34(42)44-2)37-32(40)30(28)31(24-6-4-3-5-7-24)36-26-10-8-25(9-11-26)33(41)39-14-12-35(43,13-15-39)22-38-16-18-45-19-17-38/h3-11,20-21,36,43H,12-19,22H2,1-2H3,(H,37,40)/b31-30-
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
13n/an/an/an/an/an/an/an/a


TBA

Assay Description
Assay was performed in buffer containing 40 mM Tris pH 7.5, 20 mM MgCl2, 0.1 mg/mL BSA and 1 mM DTT. The inhibitory activities of compounds of the in...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XP784N
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM445254
PNG
(US10669235, Example 45 | US11208381, Example 45)
Show SMILES COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)N3CCC(O)(CN4CCOCC4)CC3)c3ccccc3)c2cc1C
Show InChI InChI=1S/C35H38N4O6/c1-23-20-28-29(21-27(23)34(42)44-2)37-32(40)30(28)31(24-6-4-3-5-7-24)36-26-10-8-25(9-11-26)33(41)39-14-12-35(43,13-15-39)22-38-16-18-45-19-17-38/h3-11,20-21,36,43H,12-19,22H2,1-2H3,(H,37,40)/b31-30-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
13n/an/an/an/an/an/an/an/a



RESPIVERT LIMITED

US Patent


Assay Description
The inhibitory activities of compounds of the invention against VEGFR2 (VEGFR2 Kinase Enzyme System: Promega), were evaluated by mixing the VEGFR2 pr...


US Patent US10669235 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4NVJ
More data for this
Ligand-Target Pair