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PDB code 2VVV

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 1 hit Enzyme Inhibition Constant Data   
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
Coagulation factor X/antithrombin III

  (240/241 > 99%)
(Homo sapiens (human))
BDBM50295583
PNG
(4-chloro-N-(1-(2-(2-fluoro-4-(2-oxopyridin-1(2H)-y...)
Show SMILES Fc1cc(ccc1NC(=O)Cn1cnc(NC(=O)c2ccc(Cl)s2)n1)-n1ccccc1=O
Show InChI InChI=1S/C20H14ClFN6O3S/c21-16-7-6-15(32-16)19(31)25-20-23-11-27(26-20)10-17(29)24-14-5-4-12(9-13(14)22)28-8-2-1-3-18(28)30/h1-9,11H,10H2,(H,24,29)(H,25,26,31)
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6n/an/an/an/an/an/an/an/a



F Hoffmann - La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to factor 10a


Eur J Med Chem 44: 2787-95 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output