BDBM617955 6-(3-Chloro-6-(difluoromethyl)-2-fluorophenyl)-N-(1-([R or S)-1-(4,5-dimethyl-6-((1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)pyridin-3-yl)-2-hydroxyethyl)-1H-pyrazol-4-yl)pyrazine-2-carboxamide::US20230286958, Example 167::US20230286958, Example 168

SMILES Cc1c(C)c(ncc1C(CO)n1cc(NC(=O)c2cncc(n2)-c2c(F)c(Cl)ccc2C(F)F)cn1)N1C[C@H]2C[C@H]2C1=O

InChI Key InChIKey=CYVJFYJEJKTVCI-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 617955   

TargetPlasma kallikrein(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM617955(US20230286958, Example 167 | US20230286958, Exampl...)
Affinity DataIC50: 10.5nMAssay 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
LigandPNGBDBM617955(US20230286958, Example 167 | US20230286958, Exampl...)
Affinity DataIC50: 3.65E+3nMAssay 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
LigandPNGBDBM617955(US20230286958, Example 167 | US20230286958, Exampl...)
Affinity DataIC50: 0.400nMAssay 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
LigandPNGBDBM617955(US20230286958, Example 167 | US20230286958, Exampl...)
Affinity DataIC50: 261nMAssay 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