BDBM617892 6-(3-Chloro-6-(difluoromethoxy)-2-fluorophenyl)-N-(1-((S or R)-1-(4,5-dimethyl-6-((1R,5S)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)pyridin-3-yl)ethyl)-1H-pyrazol-4-yl)pyrazine-2-carboxamide::US20230286958, Example 104::US20230286958, Example 105

SMILES CC(c1cnc(N2C[C@H]3C[C@H]3C2=O)c(C)c1C)n1cc(NC(=O)c2cncc(n2)-c2c(OC(F)F)ccc(Cl)c2F)cn1

InChI Key InChIKey=SOARPTXSWUKGOA-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 = 617892   

TargetPlasma kallikrein(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM617892(US20230286958, Example 104 | 6-(3-Chloro-6-(difluo...)
Affinity DataIC50: 1.20nMAssay 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
LigandPNGBDBM617892(US20230286958, Example 104 | 6-(3-Chloro-6-(difluo...)
Affinity DataIC50: 420nMAssay 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
LigandPNGBDBM617892(US20230286958, Example 104 | 6-(3-Chloro-6-(difluo...)
Affinity DataIC50: 0.600nMAssay 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
LigandPNGBDBM617892(US20230286958, Example 104 | 6-(3-Chloro-6-(difluo...)
Affinity DataIC50: 101nMAssay 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