BDBM394128 US9975874, Example 1::US9975874, Example 2::US9975874, Example 3

SMILES COC(=O)Nc1ccc(cc1)-c1cccc(c1)C(Cc1ccccc1)c1ccc(c[n+]1[O-])-c1cc(Cl)ccc1-n1cnnn1

InChI Key InChIKey=DQMXVKZVAVGVDA-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:
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 394128   

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

US Patent
LigandPNGBDBM394128(US9975874, Example 1 | US9975874, Example 2 | US99...)
Affinity DataIC50:  0.634nMAssay 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
LigandPNGBDBM394128(US9975874, Example 1 | US9975874, Example 2 | US99...)
Affinity DataIC50:  24.4nMAssay 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
TargetPlasma kallikrein(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM394128(US9975874, Example 1 | US9975874, Example 2 | US99...)
Affinity DataIC50:  34.3nMAssay 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
LigandPNGBDBM394128(US9975874, Example 1 | US9975874, Example 2 | US99...)
Affinity DataIC50:  2.07nMAssay 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
TargetCoagulation factor XI(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM394128(US9975874, Example 1 | US9975874, Example 2 | US99...)
Affinity DataIC50:  424nMAssay 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