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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Coagulation factor X' and Ligand = 'BDBM387054'   
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


(Rattus norvegicus (rat))
BDBM387054
PNG
(1-(4-Methoxyphenyl)-6-(1-(2-oxopyrrolidin-1-yl)pip...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C3CCN(CC3)N3CCCC3=O)C(=O)c12)C(F)(F)F
Show InChI InChI=1S/C23H26F3N5O3/c1-34-17-6-4-16(5-7-17)31-20-18(21(27-31)23(24,25)26)10-14-29(22(20)33)15-8-12-28(13-9-15)30-11-2-3-19(30)32/h4-7,15H,2-3,8-14H2,1H3
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<10n/an/an/an/an/an/an/an/a



Amgen



Assay Description
Factor Xa (human or rat): In the assay for measuring the inhibition of human or rat factor Xa activity, Tris-HCl buffer (50 mM, pH 8.3, 150 mM NaCl) ...


J Med Chem 51: 1681-94 (2008)


BindingDB Entry DOI: 10.7270/Q2F1921P
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM387054
PNG
(1-(4-Methoxyphenyl)-6-(1-(2-oxopyrrolidin-1-yl)pip...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C3CCN(CC3)N3CCCC3=O)C(=O)c12)C(F)(F)F
Show InChI InChI=1S/C23H26F3N5O3/c1-34-17-6-4-16(5-7-17)31-20-18(21(27-31)23(24,25)26)10-14-29(22(20)33)15-8-12-28(13-9-15)30-11-2-3-19(30)32/h4-7,15H,2-3,8-14H2,1H3
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PC sid
UniChem
US Patent
<10n/an/an/an/an/an/an/an/a



Amgen



Assay Description
Factor Xa (human or rat): In the assay for measuring the inhibition of human or rat factor Xa activity, Tris-HCl buffer (50 mM, pH 8.3, 150 mM NaCl) ...


J Med Chem 51: 1681-94 (2008)


BindingDB Entry DOI: 10.7270/Q2F1921P
More data for this
Ligand-Target Pair