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PubMed code 18510371

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
Coagulation factor XI


(Homo sapiens (Human))
BDBM50271071
PNG
((2,4-Dibromo-3-{[(4-carbamimidamidobutyl)carbamoyl...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#8]-c1c(Br)cc(-[#8])c(-[#6]-[#6](-[#8])=O)c1Br
Show InChI InChI=1S/C14H18Br2N4O5/c15-8-6-9(21)7(5-10(22)23)11(16)12(8)25-14(24)20-4-2-1-3-19-13(17)18/h6,21H,1-5H2,(H,20,24)(H,22,23)(H4,17,18,19)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of factor 11a (unknown origin)


J Med Chem 51: 3583-7 (2008)


Article DOI: 10.1021/jm800314b
BindingDB Entry DOI: 10.7270/Q2PV6K50
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50271072
PNG
(2-(2-Amino-2-oxoethyl)-3,5-dibromo-4-hydroxyphenyl...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#8]-c1cc(Br)c(-[#8])c(Br)c1-[#6]-[#6](-[#7])=O
Show InChI InChI=1S/C14H19Br2N5O4/c15-8-6-9(7(5-10(17)22)11(16)12(8)23)25-14(24)21-4-2-1-3-20-13(18)19/h6,23H,1-5H2,(H2,17,22)(H,21,24)(H4,18,19,20)
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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.70E+4n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of factor 11a (unknown origin)


J Med Chem 51: 3583-7 (2008)


Article DOI: 10.1021/jm800314b
BindingDB Entry DOI: 10.7270/Q2PV6K50
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%