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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor VII' and Ligand = 'BDBM31492'   
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 VII


(Homo sapiens (Human))
BDBM31492
PNG
(substituted biphenyl derivative, 36af)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1nccs1
Show InChI InChI=1S/C29H27N5O4S/c1-16(2)15-33-26(35)18-5-9-22(24(13-18)29(37)38)21-10-6-19(28-32-11-12-39-28)14-23(21)27(36)34-20-7-3-17(4-8-20)25(30)31/h3-14,16H,15H2,1-2H3,(H3,30,31)(H,33,35)(H,34,36)(H,37,38)
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MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 104n/an/an/an/an/a25



BioCryst Pharmaceuticals



Assay Description
TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...


Bioorg Med Chem 17: 3934-58 (2009)


Article DOI: 10.1016/j.bmc.2009.04.013
BindingDB Entry DOI: 10.7270/Q2SX6BJN
More data for this
Ligand-Target Pair