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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 = 'BDBM387080'   
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))
BDBM387080
PNG
(4-(4-(1-(3-Aminobenzo[d]isoxazol-5-yl)-7-oxo-3-(tr...)
Show SMILES Nc1noc2ccc(cc12)-n1nc(c2CCN(C3CCN(CC3)N3CCOCC3=O)C(=O)c12)C(F)(F)F
Show InChI InChI=1S/C23H24F3N7O4/c24-23(25,26)20-15-5-8-31(13-3-6-30(7-4-13)32-9-10-36-12-18(32)34)22(35)19(15)33(28-20)14-1-2-17-16(11-14)21(27)29-37-17/h1-2,11,13H,3-10,12H2,(H2,27,29)
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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))
BDBM387080
PNG
(4-(4-(1-(3-Aminobenzo[d]isoxazol-5-yl)-7-oxo-3-(tr...)
Show SMILES Nc1noc2ccc(cc12)-n1nc(c2CCN(C3CCN(CC3)N3CCOCC3=O)C(=O)c12)C(F)(F)F
Show InChI InChI=1S/C23H24F3N7O4/c24-23(25,26)20-15-5-8-31(13-3-6-30(7-4-13)32-9-10-36-12-18(32)34)22(35)19(15)33(28-20)14-1-2-17-16(11-14)21(27)29-37-17/h1-2,11,13H,3-10,12H2,(H2,27,29)
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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