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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor X' and Ligand = 'BDBM50448599'   
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 X


(Homo sapiens (Human))
BDBM50448599
PNG
(CHEMBL3127475)
Show SMILES C[C@@]1(C[C@H](Nc2ccc(cc12)C(N)=N)c1cccc(c1)-c1ccc(cc1C(O)=O)C#N)c1ccccc1 |r|
Show InChI InChI=1S/C31H26N4O2/c1-31(23-8-3-2-4-9-23)17-28(35-27-13-11-22(29(33)34)16-26(27)31)21-7-5-6-20(15-21)24-12-10-19(18-32)14-25(24)30(36)37/h2-16,28,35H,17H2,1H3,(H3,33,34)(H,36,37)/t28-,31+/m0/s1
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Similars

Article
PubMed
2.06E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human factor 10a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis


J Med Chem 57: 955-69 (2014)


Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ
More data for this
Ligand-Target Pair