BDBM394144 US9975874, Example 17::US9975874, Example 18::US9975874, Example 19

SMILES OC(=O)c1cccc(c1)-c1cccc(c1)C(CC1CC1)c1ccc(c[n+]1[O-])-c1cc(Cl)ccc1-n1cnnn1

InChI Key InChIKey=MUXIQACANPTWNF-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 = 394144   

TargetCoagulation factor XI(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM394144(US9975874, Example 17 | US9975874, Example 18 | US...)
Affinity DataIC50: 12nMAssay 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
In Depth
Date in BDB:
4/10/2020
Entry Details
Go to US Patent

TargetPlasma kallikrein(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM394144(US9975874, Example 17 | US9975874, Example 18 | US...)
Affinity DataIC50: 543nMAssay 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
In Depth
Date in BDB:
4/10/2020
Entry Details
Go to US Patent

TargetCoagulation factor XI(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM394144(US9975874, Example 17 | US9975874, Example 18 | US...)
Affinity DataIC50: 12nMAssay 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
In Depth
Date in BDB:
4/10/2020
Entry Details
Go to US Patent

TargetPlasma kallikrein(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM394144(US9975874, Example 17 | US9975874, Example 18 | US...)
Affinity DataIC50: 250nMAssay 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
In Depth
Date in BDB:
4/10/2020
Entry Details
Go to US Patent

TargetCoagulation factor XI(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM394144(US9975874, Example 17 | US9975874, Example 18 | US...)
Affinity DataIC50: 1.00E+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
In Depth
Date in BDB:
4/10/2020
Entry Details
Go to US Patent