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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thrombin' and Monomerid = 14100   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM14100
PNG
((2S)-N-[(2R)-1-(1,3-benzothiazol-2-yl)-6-(methylam...)
Show SMILES CNCCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C29H37N5O3S/c1-30-17-9-8-14-22(26(35)28-33-21-13-6-7-16-25(21)38-28)32-27(36)24-15-10-18-34(24)29(37)23(31-2)19-20-11-4-3-5-12-20/h3-7,11-13,16,22-24,30-31H,8-10,14-15,17-19H2,1-2H3,(H,32,36)/t22-,23-,24+/m1/s1
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Similars

Article
PubMed
3.50E+3n/a>1.00E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair