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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 = 'BDBM202396'   
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))
BDBM202396
PNG
(US9238644, 3)
Show SMILES CN1CCC(CC1)c1ccc(Nc2ncc(c(CCc3ccccc3C3(CC3)C(N)=O)n2)C(F)(F)F)cc1
Show InChI InChI=1S/C29H32F3N5O/c1-37-16-12-20(13-17-37)19-6-9-22(10-7-19)35-27-34-18-24(29(30,31)32)25(36-27)11-8-21-4-2-3-5-23(21)28(14-15-28)26(33)38/h2-7,9-10,18,20H,8,11-17H2,1H3,(H2,33,38)(H,34,35,36)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 9n/an/an/an/a7.4n/a



CANCER THERAPEUTICS CRC PTY LIMITED

US Patent


Assay Description
A biotin labelled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)....


US Patent US9238644 (2016)


BindingDB Entry DOI: 10.7270/Q2JM28FP
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM202396
PNG
(US9238644, 3)
Show SMILES CN1CCC(CC1)c1ccc(Nc2ncc(c(CCc3ccccc3C3(CC3)C(N)=O)n2)C(F)(F)F)cc1
Show InChI InChI=1S/C29H32F3N5O/c1-37-16-12-20(13-17-37)19-6-9-22(10-7-19)35-27-34-18-24(29(30,31)32)25(36-27)11-8-21-4-2-3-5-23(21)28(14-15-28)26(33)38/h2-7,9-10,18,20H,8,11-17H2,1H3,(H2,33,38)(H,34,35,36)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 27n/an/an/an/a7.237



CANCER THERAPEUTICS CRC PTY LIMITED

US Patent


Assay Description
Adult human dermal lymphatic microvascular endothelial cells (HMVEC-dLyAD) (Cat# CC-2810, Lonza) were seeded into clear-bottom, TC treated 12 well pl...


US Patent US9238644 (2016)


BindingDB Entry DOI: 10.7270/Q2JM28FP
More data for this
Ligand-Target Pair