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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 329.3
BDBM282764

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
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 A


(Homo sapiens (Human))
BDBM282764
PNG
(US9884843, Compound 108)
Show SMILES OC1CS(=O)(=O)c2ccc(OCC3(CC3)C#N)c(C(F)F)c12
Show InChI InChI=1S/C14H13F2NO4S/c15-13(16)12-9(21-7-14(6-17)3-4-14)1-2-10-11(12)8(18)5-22(10,19)20/h1-2,8,13,18H,3-5,7H2
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.90E+4n/an/an/an/a7.5n/a



PELOTON THERAPEUTICS, INC.

US Patent


Assay Description
The total assay volume was about 100 μL in the following configuration: 2-μL compound in DMSO, 88 μL buffer with protein and probe and...


US Patent US9884843 (2018)


BindingDB Entry DOI: 10.7270/Q2HQ41Z0
More data for this
Ligand-Target Pair