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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50337459   
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))		BDBM50337459
PNG
(CHEMBL1682698 | N-(2-cyano-5-methoxybenzyl)-2-(6-m...)
Show SMILES COc1ccc(C#N)c(CNC(=O)Cn2c(C)cnc(NCCc3ccccn3)c2=O)c1
Show InChI InChI=1S/C23H24N6O3/c1-16-13-28-22(26-10-8-19-5-3-4-9-25-19)23(31)29(16)15-21(30)27-14-18-11-20(32-2)7-6-17(18)12-24/h3-7,9,11,13H,8,10,14-15H2,1-2H3,(H,26,28)(H,27,30)
PDB

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PC sid
UniChem

Similars
Article
PubMed
 1.60n/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