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PubMed code 16302799

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
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))
BDBM50177863
PNG
(2,5-dichlorophenyl 6-(chloromethyl)-2-oxo-2H-chrom...)
Show SMILES ClCc1ccc2oc(=O)c(cc2c1)C(=O)Oc1cc(Cl)ccc1Cl
Show InChI InChI=1S/C17H9Cl3O4/c18-8-9-1-4-14-10(5-9)6-12(16(21)23-14)17(22)24-15-7-11(19)2-3-13(15)20/h1-7H,8H2
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Article
PubMed
n/an/a 103n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibitory activity against human thrombin


J Med Chem 48: 7592-603 (2005)


Article DOI: 10.1021/jm050448g
BindingDB Entry DOI: 10.7270/Q2V987MG
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50038001
PNG
((2R,4R)-1-((S)-5-(diaminomethyleneamino)-2-(3-meth...)
Show SMILES C[C@@H]1CCN([C@H](C1)C(O)=O)C(=O)[C@H](CCCNC(N)=N)NS(=O)(=O)c1cccc2CC(C)CNc12
Show InChI InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,15?,17+,18-/m1/s1
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antibodypedia
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Similars

Article
PubMed
n/an/a 331n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibitory activity against human thrombin


J Med Chem 48: 7592-603 (2005)


Article DOI: 10.1021/jm050448g
BindingDB Entry DOI: 10.7270/Q2V987MG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%