BDBM50582289 CHEMBL5076760::US20230286958, Example 155

SMILES [H][C@]12C[C@@]1([H])C(=O)N(C2)c1ncc(C(C)n2cc(NC(=O)c3cncc(n3)-c3c(F)c(Cl)ccc3C(F)F)cn2)c(C)c1OC

InChI Key InChIKey=AESNDDHBSPWNAX-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 50582289   

TargetPlasma kallikrein(Human)
Smith, Gambrell & Russell

Curated by ChEMBL
LigandPNGBDBM50582289(CHEMBL5076760 | US20230286958, Example 155)
Affinity DataIC50: 0.300nMAssay Description:Inhibition of human plasma kallikrein using fluorogenic substrate measured by microplate reader analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/5/2023
Entry Details Article
PubMed
TargetPlasma kallikrein(Human)
Smith, Gambrell & Russell

Curated by ChEMBL
LigandPNGBDBM50582289(CHEMBL5076760 | US20230286958, Example 155)
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
LigandPNGBDBM50582289(CHEMBL5076760 | US20230286958, Example 155)
Affinity DataIC50: 661nMAssay 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)
Smith, Gambrell & Russell

Curated by ChEMBL
LigandPNGBDBM50582289(CHEMBL5076760 | US20230286958, Example 155)
Affinity DataIC50: 7.10nMAssay 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
LigandPNGBDBM50582289(CHEMBL5076760 | US20230286958, Example 155)
Affinity DataIC50: 8.20E+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