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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thrombin' and Monomerid = 50080477   
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))
BDBM50080477
PNG
(3-[(S)-3-(Naphthalene-2-sulfonylamino)-2-oxo-pyrro...)
Show SMILES NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc4ccccc4c3)C2=O)c1
Show InChI InChI=1S/C22H22N4O3S/c23-21(24)18-7-3-4-15(12-18)14-26-11-10-20(22(26)27)25-30(28,29)19-9-8-16-5-1-2-6-17(16)13-19/h1-9,12-13,20,25H,10-11,14H2,(H3,23,24)/t20-/m0/s1
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Similars

Article
PubMed
>4.00E+3n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human thrombin


J Med Chem 42: 3557-71 (1999)


Article DOI: 10.1021/jm990040h
BindingDB Entry DOI: 10.7270/Q2M04640
More data for this
Ligand-Target Pair