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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 = 'BDBM445252'   
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))
BDBM445252
PNG
(US10669235, Example 43 | US11208381, Example 43)
Show SMILES COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)N3CCC4(CC3)N(C)CCCNC4=O)c3ccccc3)c2cc1C
Show InChI InChI=1S/C35H37N5O5/c1-22-20-27-28(21-26(22)33(43)45-3)38-31(41)29(27)30(23-8-5-4-6-9-23)37-25-12-10-24(11-13-25)32(42)40-18-14-35(15-19-40)34(44)36-16-7-17-39(35)2/h4-6,8-13,20-21,37H,7,14-19H2,1-3H3,(H,36,44)(H,38,41)/b30-29-
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem
US Patent
11.9n/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))
BDBM445252
PNG
(US10669235, Example 43 | US11208381, Example 43)
Show SMILES COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)N3CCC4(CC3)N(C)CCCNC4=O)c3ccccc3)c2cc1C
Show InChI InChI=1S/C35H37N5O5/c1-22-20-27-28(21-26(22)33(43)45-3)38-31(41)29(27)30(23-8-5-4-6-9-23)37-25-12-10-24(11-13-25)32(42)40-18-14-35(15-19-40)34(44)36-16-7-17-39(35)2/h4-6,8-13,20-21,37H,7,14-19H2,1-3H3,(H,36,44)(H,38,41)/b30-29-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
11.9n/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