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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 442.5
BDBM150231

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))
BDBM150231
PNG
(US8980916, 6)
Show SMILES CC(C)(C)c1ccc(cc1)-n1cccc(C(O)C(=O)Nc2ccc3c(N)nccc3c2)c1=O
Show InChI InChI=1S/C26H26N4O3/c1-26(2,3)17-6-9-19(10-7-17)30-14-4-5-21(25(30)33)22(31)24(32)29-18-8-11-20-16(15-18)12-13-28-23(20)27/h4-15,22,31H,1-3H3,(H2,27,28)(H,29,32)
PDB
MMDB

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PC cid
PC sid
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US Patent
n/an/a 54n/an/an/an/a8.025



Merck Sharp & Dohme Corp.; Mochida Pharmaceutical 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 US8980916 (2015)


BindingDB Entry DOI: 10.7270/Q2RB739T
More data for this
Ligand-Target Pair