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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 360.4
BDBM50083243

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))
BDBM50083243
PNG
(CHEMBL3423035)
Show SMILES Cc1cc2nc(CCNC(=O)c3cccc(c3)-n3cnnc3)[nH]c2cc1C
Show InChI InChI=1S/C20H20N6O/c1-13-8-17-18(9-14(13)2)25-19(24-17)6-7-21-20(27)15-4-3-5-16(10-15)26-11-22-23-12-26/h3-5,8-12H,6-7H2,1-2H3,(H,21,27)(H,24,25)
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Similars

Article
PubMed
>1.45E+5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human factor 9a using CH3SO2-D-CHG-Gly-Arg-AFC.AcOH as substrate by fluorescence assay


Bioorg Med Chem Lett 25: 2321-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.025
BindingDB Entry DOI: 10.7270/Q2BR8TWX
More data for this
Ligand-Target Pair