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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 = 'BDBM445229'   
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))
BDBM445229
PNG
(US10669235, Example 20 | US11208381, Example 20)
Show SMILES COCCN1CCC(CC1)NC(=O)c1ccc(N\C(=C2/C(=O)Nc3cc(C(=O)OC)c(C)cc23)c2ccccc2)cc1
Show InChI InChI=1S/C33H36N4O5/c1-21-19-27-28(20-26(21)33(40)42-3)36-32(39)29(27)30(22-7-5-4-6-8-22)34-24-11-9-23(10-12-24)31(38)35-25-13-15-37(16-14-25)17-18-41-2/h4-12,19-20,25,34H,13-18H2,1-3H3,(H,35,38)(H,36,39)/b30-29-
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
83.7n/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))
BDBM445229
PNG
(US10669235, Example 20 | US11208381, Example 20)
Show SMILES COCCN1CCC(CC1)NC(=O)c1ccc(N\C(=C2/C(=O)Nc3cc(C(=O)OC)c(C)cc23)c2ccccc2)cc1
Show InChI InChI=1S/C33H36N4O5/c1-21-19-27-28(20-26(21)33(40)42-3)36-32(39)29(27)30(22-7-5-4-6-8-22)34-24-11-9-23(10-12-24)31(38)35-25-13-15-37(16-14-25)17-18-41-2/h4-12,19-20,25,34H,13-18H2,1-3H3,(H,35,38)(H,36,39)/b30-29-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
83.7n/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