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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor X' and Ligand = 'BDBM50113608'   
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 X


(Homo sapiens (Human))
BDBM50113608
PNG
((Z)-3-(5-Carbamimidoyl-2-nitro-phenyl)-2-fluoro-bu...)
Show SMILES C\C(=C(/F)C(=O)Nc1ccc(cc1F)-c1ccccc1S(N)(=O)=O)c1cc(ccc1[N+]([O-])=O)C(N)=N
Show InChI InChI=1S/C23H19F2N5O5S/c1-12(16-10-14(22(26)27)7-9-19(16)30(32)33)21(25)23(31)29-18-8-6-13(11-17(18)24)15-4-2-3-5-20(15)36(28,34)35/h2-11H,1H3,(H3,26,27)(H,29,31)(H2,28,34,35)/b21-12+
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PubMed
n/an/a 15n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against factor Xa


Bioorg Med Chem Lett 12: 1511-5 (2002)


BindingDB Entry DOI: 10.7270/Q2P84B6X
More data for this
Ligand-Target Pair