BDBM552021 (S*)-(3-amino- 4,5- dihydropyrano[3, 4-c]pyrazol- 2(7H)-yl)(6- fluoro-1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 196

SMILES Nc1c2CCOCc2nn1C(=O)[C@H]1CCNc2ccc(F)cc12

InChI Key InChIKey=AOEYMISDWDSSAQ-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 552021   

TargetCoagulation factor XII(Human)
Rockefeller University

US Patent
LigandPNGBDBM552021((S*)-(3-amino- 4,5- dihydropyrano[3, 4-c]pyrazol- ...)
Affinity DataIC50: 80nMAssay Description:In a 96-well clear bottom plate, 80 μl of assay buffer was added to each well. Assay buffer consists of 0.5× Hank's Balanced Salt Solution (...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/6/2022
Entry Details
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TargetProthrombin(Human)
Rockefeller University

US Patent
LigandPNGBDBM552021((S*)-(3-amino- 4,5- dihydropyrano[3, 4-c]pyrazol- ...)
Affinity DataIC50: 9.50E+4nMAssay Description:Thrombin. In a 96-well white opaque plate, 80 μl of assay buffer was added to each well. Test compounds were added, and serially diluted as abov...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/6/2022
Entry Details
Go to US Patent