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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 32655   
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))
BDBM32655
PNG
(benzamidine- based compound, 4)
Show SMILES CC[C@@H](N)C(=O)N1CCCC1C(=O)NCc1ccc(cc1)C(N)=N |r|
Show InChI InChI=1S/C17H25N5O2/c1-2-13(18)17(24)22-9-3-4-14(22)16(23)21-10-11-5-7-12(8-6-11)15(19)20/h5-8,13-14H,2-4,9-10,18H2,1H3,(H3,19,20)(H,21,23)/t13-,14?/m1/s1
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PDB
Article
PubMed
180 -38.5n/an/an/an/an/a7.425



Philipps-University Marburg



Assay Description
Kinetic inhibition of human thrombin was determined photometrically at 405 nm using the chromogenic substrate Pefachrom tPa. Reactions were performed...


J Mol Biol 391: 552-64 (2009)


Article DOI: 10.1016/j.jmb.2009.06.016
BindingDB Entry DOI: 10.7270/Q2RV0M1Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)