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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 382.4
BDBM150290

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))
BDBM150290
PNG
(US8987242, 2)
Show SMILES Cc1ccc(cc1)N1CCOC(C(O)C(=O)Nc2ccc(cc2)C(N)=N)C1=O
Show InChI InChI=1S/C20H22N4O4/c1-12-2-8-15(9-3-12)24-10-11-28-17(20(24)27)16(25)19(26)23-14-6-4-13(5-7-14)18(21)22/h2-9,16-17,25H,10-11H2,1H3,(H3,21,22)(H,23,26)
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MMDB

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Similars

US Patent
n/an/a 30n/an/an/an/a8.025



Merck Sharp & Dohme Corp.; Mochida Pharmaceuticals Co., Ltd.

US Patent


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


US Patent US8987242 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JNS
More data for this
Ligand-Target Pair