BDBM50582287 CHEMBL5079850::US20230286958, Example 41

SMILES [H][C@]12C[C@@]1([H])C(=O)N(C2)c1ncc(Cn2cc(NC(=O)c3nc(cnc3C)-c3c(F)c(Cl)ccc3C(F)F)cn2)cc1C

InChI Key InChIKey=LQUYFWRKFWJAJB-VQIMIIECSA-N

Data  3 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 3 hits for monomerid = 50582287   

TargetPlasma kallikrein(Homo sapiens (Human))
Smith, Gambrell & Russell

Curated by ChEMBL
LigandPNGBDBM50582287(CHEMBL5079850 | US20230286958, Example 41)
Affinity DataIC50:  0.200nMAssay Description:Inhibition of human plasma kallikrein using fluorogenic substrate measured by microplate reader analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCoagulation factor XI(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM50582287(CHEMBL5079850 | US20230286958, Example 41)
Affinity DataIC50:  53nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetPlasma kallikrein(Homo sapiens (Human))
Smith, Gambrell & Russell

Curated by ChEMBL
LigandPNGBDBM50582287(CHEMBL5079850 | US20230286958, Example 41)
Affinity DataIC50:  0.200nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent