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SMILES: NC(=O)c1nn(c2c1CCN(C1CCN(CC1)N1CCOCC1=O)C2=O)-c1ccc(OC(F)F)cc1

InChI Key: InChIKey=JKPYXYOCVLDBJL-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 387065   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Coagulation factor X


(Homo sapiens (Human))
BDBM387065
PNG
(1-(4-(Difluoromethoxy)phenyl)-7-oxo-6-(1-(3-oxomor...)
Show SMILES NC(=O)c1nn(c2c1CCN(C1CCN(CC1)N1CCOCC1=O)C2=O)-c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C23H26F2N6O5/c24-23(25)36-16-3-1-15(2-4-16)31-20-17(19(27-31)21(26)33)7-10-29(22(20)34)14-5-8-28(9-6-14)30-11-12-35-13-18(30)32/h1-4,14,23H,5-13H2,(H2,26,33)
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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 V/Coagulation factor X/Serine/threonine-protein kinase BRSK2


(Homo sapiens (Human))
BDBM387065
PNG
(1-(4-(Difluoromethoxy)phenyl)-7-oxo-6-(1-(3-oxomor...)
Show SMILES NC(=O)c1nn(c2c1CCN(C1CCN(CC1)N1CCOCC1=O)C2=O)-c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C23H26F2N6O5/c24-23(25)36-16-3-1-15(2-4-16)31-20-17(19(27-31)21(26)33)7-10-29(22(20)34)14-5-8-28(9-6-14)30-11-12-35-13-18(30)32/h1-4,14,23H,5-13H2,(H2,26,33)
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<10n/an/an/an/an/an/an/an/a



Amgen



Assay Description
Prothrombinase Assay:The effect of test compounds on prothrombinase activity is measured via thrombin generation. Briefly, 12.5 μL human factor ...


J Med Chem 51: 1681-94 (2008)


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


(Rattus norvegicus (rat))
BDBM387065
PNG
(1-(4-(Difluoromethoxy)phenyl)-7-oxo-6-(1-(3-oxomor...)
Show SMILES NC(=O)c1nn(c2c1CCN(C1CCN(CC1)N1CCOCC1=O)C2=O)-c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C23H26F2N6O5/c24-23(25)36-16-3-1-15(2-4-16)31-20-17(19(27-31)21(26)33)7-10-29(22(20)34)14-5-8-28(9-6-14)30-11-12-35-13-18(30)32/h1-4,14,23H,5-13H2,(H2,26,33)
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30n/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
Serine protease 1


(Homo sapiens (Human))
BDBM387065
PNG
(1-(4-(Difluoromethoxy)phenyl)-7-oxo-6-(1-(3-oxomor...)
Show SMILES NC(=O)c1nn(c2c1CCN(C1CCN(CC1)N1CCOCC1=O)C2=O)-c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C23H26F2N6O5/c24-23(25)36-16-3-1-15(2-4-16)31-20-17(19(27-31)21(26)33)7-10-29(22(20)34)14-5-8-28(9-6-14)30-11-12-35-13-18(30)32/h1-4,14,23H,5-13H2,(H2,26,33)
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>1.00E+3n/an/an/an/an/an/an/an/a



Amgen



Assay Description
Trypsin: In the assay for measuring the inhibition of human trypsin activity buffer (50 mM Tris, pH 8.2, and 20 mM CaCl2) is used. The IC50 is measur...


J Med Chem 51: 1681-94 (2008)


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


(Homo sapiens (Human))
BDBM387065
PNG
(1-(4-(Difluoromethoxy)phenyl)-7-oxo-6-(1-(3-oxomor...)
Show SMILES NC(=O)c1nn(c2c1CCN(C1CCN(CC1)N1CCOCC1=O)C2=O)-c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C23H26F2N6O5/c24-23(25)36-16-3-1-15(2-4-16)31-20-17(19(27-31)21(26)33)7-10-29(22(20)34)14-5-8-28(9-6-14)30-11-12-35-13-18(30)32/h1-4,14,23H,5-13H2,(H2,26,33)
PDB

UniProtKB/SwissProt

antibodypedia
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>1.00E+3n/an/an/an/an/an/an/an/a



Amgen



Assay Description
Thrombin: In the assay for measuring the inhibition of human thrombin activity buffer (10 mM HEPES buffer, pH 7.4, 2 mM CaCl2) is used. The IC50 is m...


J Med Chem 51: 1681-94 (2008)


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