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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 = 'BDBM387078'   
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))
BDBM387078
PNG
(4-(4-(1-(6-Chloronaphthalen-2-yl)-7-oxo-3-(trifluo...)
Show SMILES FC(F)(F)c1nn(c2c1CCN(C1CCN(CC1)N1CCOCC1=O)C2=O)-c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C26H25ClF3N5O3/c27-18-3-1-17-14-20(4-2-16(17)13-18)35-23-21(24(31-35)26(28,29)30)7-10-33(25(23)37)19-5-8-32(9-6-19)34-11-12-38-15-22(34)36/h1-4,13-14,19H,5-12,15H2
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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))
BDBM387078
PNG
(4-(4-(1-(6-Chloronaphthalen-2-yl)-7-oxo-3-(trifluo...)
Show SMILES FC(F)(F)c1nn(c2c1CCN(C1CCN(CC1)N1CCOCC1=O)C2=O)-c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C26H25ClF3N5O3/c27-18-3-1-17-14-20(4-2-16(17)13-18)35-23-21(24(31-35)26(28,29)30)7-10-33(25(23)37)19-5-8-32(9-6-19)34-11-12-38-15-22(34)36/h1-4,13-14,19H,5-12,15H2
PDB
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UniProtKB/SwissProt

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antibodypedia
GoogleScholar
AffyNet 
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