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Patent code US9663527

Compile Data Set for Download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
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 XI


(Homo sapiens (Human))
BDBM330035
PNG
(Methyl [(7S)-7-[6-(aminomethyl)-1-oxo-3,4-dihydroi...)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCC(=O)Nc2c1)N1CCc2cc(C[NH3+])ccc2C1=O
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US Patent
2.40n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Ba...


US Patent US9663527 (2017)


BindingDB Entry DOI: 10.7270/Q2862JJQ
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM330036
PNG
(US9663527, Example 2)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCC(=O)Nc2c1)N1CCCc2cc(C[NH3+])ccc2C1=O
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3.90n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Ba...


US Patent US9663527 (2017)


BindingDB Entry DOI: 10.7270/Q2862JJQ
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM330037
PNG
(US9663527, Example 3)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCC(=O)Nc2c1)N1Cc2cc(C[NH3+])ccc2C1=O
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70n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Ba...


US Patent US9663527 (2017)


BindingDB Entry DOI: 10.7270/Q2862JJQ
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM330038
PNG
(US9663527, Example 4)
Show SMILES NCc1ccc2C(=O)N(CCc2c1)[C@H]1CCCCC(=O)Nc2ccc(F)cc2-c2ccnc1c2
Show InChI InChI=1S/C27H27FN4O2/c28-20-6-8-23-22(15-20)18-9-11-30-24(14-18)25(3-1-2-4-26(33)31-23)32-12-10-19-13-17(16-29)5-7-21(19)27(32)34/h5-9,11,13-15,25H,1-4,10,12,16,29H2,(H,31,33)/t25-/m0/s1
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170n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Ba...


US Patent US9663527 (2017)


BindingDB Entry DOI: 10.7270/Q2862JJQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%