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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 527.2
BDBM393714

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
Coagulation factor IX


(Homo sapiens (Human))
BDBM393714
PNG
((R)—N-(1-(3-Amino-4-chloroisoxazolo[5,4-c]pyridin-...)
Show SMILES Nc1noc2c(ncc(Cl)c12)N1CC[C@H](C1)NC(=O)c1ccc(cc1Cl)-n1cnnc1C(F)(F)F |r|
Show InChI InChI=1S/C20H15Cl2F3N8O2/c21-12-5-10(33-8-28-30-19(33)20(23,24)25)1-2-11(12)18(34)29-9-3-4-32(7-9)17-15-14(13(22)6-27-17)16(26)31-35-15/h1-2,5-6,8-9H,3-4,7H2,(H2,26,31)(H,29,34)/t9-/m1/s1
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n/an/a<100n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza



Assay Description
Inhibitory activity against factor IXa was tested using the substrate SPECTROFLUOR FIXa (american diagnostica inc.; 500 West Avenue, Stamford, Conn. ...


J Med Chem 52: 2818-24 (2009)


BindingDB Entry DOI: 10.7270/Q2WQ063R
More data for this
Ligand-Target Pair