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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 = 'BDBM387049'   
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))
BDBM387049
PNG
(4-(4-(1-(4-Methoxyphenyl)-7-oxo-3-(trifluoromethyl...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C3CCN(CC3)N3CCOCC3=O)C(=O)c12)C(F)(F)F
Show InChI InChI=1S/C23H26F3N5O4/c1-34-17-4-2-16(3-5-17)31-20-18(21(27-31)23(24,25)26)8-11-29(22(20)33)15-6-9-28(10-7-15)30-12-13-35-14-19(30)32/h2-5,15H,6-14H2,1H3
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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))
BDBM387049
PNG
(4-(4-(1-(4-Methoxyphenyl)-7-oxo-3-(trifluoromethyl...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C3CCN(CC3)N3CCOCC3=O)C(=O)c12)C(F)(F)F
Show InChI InChI=1S/C23H26F3N5O4/c1-34-17-4-2-16(3-5-17)31-20-18(21(27-31)23(24,25)26)8-11-29(22(20)33)15-6-9-28(10-7-15)30-12-13-35-14-19(30)32/h2-5,15H,6-14H2,1H3
PDB
MMDB

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KEGG

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GoogleScholar
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PC cid
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