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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor IX' and Ligand = 'BDBM50125961'   
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))
BDBM50125961
PNG
(CHEMBL3627870)
Show SMILES Cc1cc2nc([nH]c2cc1C)[C@@H](CNC(=O)c1ccc(cc1Cl)-n1cnnc1)c1ccccc1F |r|
Show InChI InChI=1S/C26H22ClFN6O/c1-15-9-23-24(10-16(15)2)33-25(32-23)20(18-5-3-4-6-22(18)28)12-29-26(35)19-8-7-17(11-21(19)27)34-13-30-31-14-34/h3-11,13-14,20H,12H2,1-2H3,(H,29,35)(H,32,33)/t20-/m0/s1
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Similars

Article
PubMed
19n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 9a using fluorescent peptide CH3SO2-D-CHG-Gly-Arg-AFC-AcoH as substrate


Bioorg Med Chem Lett 25: 4945-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.057
BindingDB Entry DOI: 10.7270/Q20Z753B
More data for this
Ligand-Target Pair