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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50337470   
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
Prothrombin


(Homo sapiens (Human))
BDBM50337470
PNG
(2-(2-(5-chloro-4-(2-(5-chloro-2-(2,2,2-trifluoroet...)
Show SMILES [O-][n+]1ccccc1CCNc1ncc(Cl)n(CC(=O)NCc2cc(Cl)ccc2OCC(F)(F)F)c1=O
Show InChI InChI=1S/C22H20Cl2F3N5O4/c23-15-4-5-17(36-13-22(25,26)27)14(9-15)10-29-19(33)12-31-18(24)11-30-20(21(31)34)28-7-6-16-3-1-2-8-32(16)35/h1-5,8-9,11H,6-7,10,12-13H2,(H,28,30)(H,29,33)
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PC sid
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Similars

Article
PubMed
0.310n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 21: 1532-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.108
BindingDB Entry DOI: 10.7270/Q2ZS2WS2
More data for this
Ligand-Target Pair