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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 378.4
BDBM50083241

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))
BDBM50083241
PNG
(CHEMBL3423037)
Show SMILES Cc1cc2nc(CCNC(=O)c3ccc(cc3F)-n3cnnc3)[nH]c2cc1C
Show InChI InChI=1S/C20H19FN6O/c1-12-7-17-18(8-13(12)2)26-19(25-17)5-6-22-20(28)15-4-3-14(9-16(15)21)27-10-23-24-11-27/h3-4,7-11H,5-6H2,1-2H3,(H,22,28)(H,25,26)
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Similars

Article
PubMed
2.04E+3n/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