BDBM755052 (R,Z)-5-(5-chloro-2-(4-(difluoromethyl)-1H-pyrazol-1-yl)phenyl)-2-(24-((methoxycarbonyl)amino)-15,5,5-trimethyl-4-oxo-11H-3-aza-1(4,2)-imidazola-2(1,2)-benzenacyclononaphane-9-yl)pyridine 1-oxide::US12344616, Example 4

SMILES COC(=O)Nc1ccc2c(c1)NC(=O)C(C)(C)CCC[C@H](c1ccc(-c3cc(Cl)ccc3-n3cc(C(F)F)cn3)c[n+]1[O-])c1nc-2c(C)[nH]1

InChI Key

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 755052   

TargetCoagulation factor XI(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM755052((R,Z)-5-(5-chloro-2-(4-(difluoromethyl)-1H-pyrazol...)
Affinity DataIC50: 0.900nMAssay Description:Compounds were pre-incubated for 30 minutes at 25° C. with human (0.04 nM) Factor XIa in 50 mM HEPES buffer with 150 mM sodium chloride, 5 mM calcium...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/22/2025
Entry Details
US Patent

TargetPlasma kallikrein(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM755052((R,Z)-5-(5-chloro-2-(4-(difluoromethyl)-1H-pyrazol...)
Affinity DataIC50: 46nMAssay Description:Activity assays were performed by diluting a stock solution of substrate at least tenfold to a final concentration ≤0.2 Km into a solution containing...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/22/2025
Entry Details
US Patent

TargetSodium-dependent noradrenaline transporter(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM755052((R,Z)-5-(5-chloro-2-(4-(difluoromethyl)-1H-pyrazol...)
Affinity DataIC50: 6.50E+3nMAssay Description:Human Norepinephrine Transporter (NET) Binding (Antagonist Radioligand) was determined at Panlabs Cerep (assay #204410). Human norepinephrine transpo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/22/2025
Entry Details
US Patent

TargetKallikrein-1(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM755052((R,Z)-5-(5-chloro-2-(4-(difluoromethyl)-1H-pyrazol...)
Affinity DataIC50: 1.67E+5nMAssay Description:Activity assays were performed by diluting a stock solution of substrate at least tenfold to a final concentration ≤0.2 Km into a solution containing...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/22/2025
Entry Details
US Patent