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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 474.3
BDBM393723

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))
BDBM393723
PNG
((R)—N-(1-(3-Amino-4-chloroisoxazolo[5,4-c]pyridin-...)
Show SMILES Cc1ncn(n1)-c1cnc(C(=O)N[C@@H]2CCN(C2)c2ncc(Cl)c3c(N)noc23)c(Cl)c1 |r|
Show InChI InChI=1S/C19H17Cl2N9O2/c1-9-25-8-30(27-9)11-4-12(20)15(23-5-11)19(31)26-10-2-3-29(7-10)18-16-14(13(21)6-24-18)17(22)28-32-16/h4-6,8,10H,2-3,7H2,1H3,(H2,22,28)(H,26,31)/t10-/m1/s1
PDB
MMDB

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US Patent
n/an/a 550n/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