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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thrombin' and Monomerid = 12969   
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))
BDBM12969
PNG
((2S)-2-[(2S)-2-({[(1S)-1-(4-bromophenyl)ethyl]carb...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)N[C@@H](C)c1ccc(Br)cc1)C1CCCCC1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nccs1
Show InChI InChI=1S/C31H45BrN8O4S/c1-18(2)24(27(42)38-23(10-7-15-36-30(33)34)26(41)29-35-16-17-45-29)39-28(43)25(21-8-5-4-6-9-21)40-31(44)37-19(3)20-11-13-22(32)14-12-20/h11-14,16-19,21,23-25H,4-10,15H2,1-3H3,(H,38,42)(H,39,43)(H4,33,34,36)(H2,37,40,44)/t19-,23-,24-,25-/m0/s1
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Article
PubMed
n/an/a 5.60E+3n/an/an/an/an/an/a



Daiichi Asubio Medical Research Laboratories, LLC



Assay Description
Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...


J Med Chem 49: 7781-91 (2006)


Article DOI: 10.1021/jm060978s
BindingDB Entry DOI: 10.7270/Q2SJ1HTM
More data for this
Ligand-Target Pair