BDBM618006 6-(3-Chloro-6-(difluoromethyl)-2-fluorophenyl)-N(1-((S or R)-1-(5-methoxy-6-((1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)pyridin-3-yl)ethyl)-1H-pyrazol-4-yl)-3-methylpyrazine-2-carboxamide::US20230286958, Example 218::US20230286958, Example 219

SMILES COc1cc(cnc1N1C[C@H]2C[C@H]2C1=O)C(C)n1cc(NC(=O)c2nc(cnc2C)-c2c(F)c(Cl)ccc2C(F)F)cn1

InChI Key InChIKey=XCOPLNVIDMHZTN-UHFFFAOYSA-N

Data  4 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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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 618006   

TargetPlasma kallikrein(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM618006(US20230286958, Example 218 | US20230286958, Exampl...)
Affinity DataIC50: 1.80nMAssay Description:Kallikrein determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaC12, and 0.1% PEG 8000 (polyethylene glycol; Fishe...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2023
Entry Details
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TargetCoagulation factor XI(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM618006(US20230286958, Example 218 | US20230286958, Exampl...)
Affinity DataIC50: 414nMAssay Description:Assays were conducted at room temperature or at 37° C. Hydrolysis of the substrate resulted in release of amino trifluoromethylcoumarin (AFC), which ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2023
Entry Details
Go to US Patent

TargetPlasma kallikrein(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM618006(US20230286958, Example 218 | US20230286958, Exampl...)
Affinity DataIC50: 0.300nMAssay Description:Kallikrein determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaC12, and 0.1% PEG 8000 (polyethylene glycol; Fishe...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2023
Entry Details
Go to US Patent

TargetCoagulation factor XI(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM618006(US20230286958, Example 218 | US20230286958, Exampl...)
Affinity DataIC50: 549nMAssay Description:Assays were conducted at room temperature or at 37° C. Hydrolysis of the substrate resulted in release of amino trifluoromethylcoumarin (AFC), which ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2023
Entry Details
Go to US Patent