BDBM394137 US9975874, Example 10::US9975874, Example 11::US9975874, Example 12

SMILES OC(=O)c1ccc(cc1)-c1cccc(c1)C(Cc1ccccc1)c1ccc(c[n+]1[O-])-c1cc(Cl)ccc1-n1cnnn1

InChI Key InChIKey=HFSPXAUCIUBDST-UHFFFAOYSA-N

Data  5 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 394137   

TargetCoagulation factor XI(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM394137(US9975874, Example 10 | US9975874, Example 11 | US...)
Affinity DataIC50:  19.1nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetPlasma kallikrein(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM394137(US9975874, Example 10 | US9975874, Example 11 | US...)
Affinity DataIC50:  705nMAssay Description:The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCoagulation factor XI(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM394137(US9975874, Example 10 | US9975874, Example 11 | US...)
Affinity DataIC50:  3.50E+3nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetPlasma kallikrein(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM394137(US9975874, Example 10 | US9975874, Example 11 | US...)
Affinity DataIC50:  276nMAssay Description:The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCoagulation factor XI(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM394137(US9975874, Example 10 | US9975874, Example 11 | US...)
Affinity DataIC50:  14nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent