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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM23911'   
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


(Bos taurus (Bovine))
BDBM23911
PNG
(3-[(2S)-3-[4-(2-carbamimidamidoethyl)piperidin-1-y...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#7]S(=O)(=O)c1ccc(-[#8]-c2ccccc2)nc1 |r|
Show InChI InChI=1S/C29H36N8O4S/c30-27(31)22-6-4-5-21(17-22)18-25(28(38)37-15-12-20(13-16-37)11-14-34-29(32)33)36-42(39,40)24-9-10-26(35-19-24)41-23-7-2-1-3-8-23/h1-10,17,19-20,25,36H,11-16,18H2,(H3,30,31)(H4,32,33,34)/t25-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
99n/an/an/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair