BDBM50582290 CHEMBL5082614::US20230286958, Example 198

SMILES [H][C@]12C[C@@]1([H])C(=O)N(C2)c1ncc(nc1C)C(C)n1cc(NC(=O)c2nc(cnc2CO)-c2c(F)c(Cl)ccc2C(F)F)cn1

InChI Key InChIKey=QTEIOTHWOLEZKV-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 = 50582290   

TargetPlasma kallikrein(Human)
Smith, Gambrell & Russell

Curated by ChEMBL
LigandPNGBDBM50582290(CHEMBL5082614 | US20230286958, Example 198)
Affinity DataIC50: 0.100nMAssay 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
LigandPNGBDBM50582290(CHEMBL5082614 | US20230286958, Example 198)
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
In Depth
Date in BDB:
10/23/2023
Entry Details
Go to US Patent

TargetCoagulation factor XI(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM50582290(CHEMBL5082614 | US20230286958, Example 198)
Affinity DataIC50: 48nMAssay 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
LigandPNGBDBM50582290(CHEMBL5082614 | US20230286958, Example 198)
Affinity DataIC50: 0.100nMAssay 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
LigandPNGBDBM50582290(CHEMBL5082614 | US20230286958, Example 198)
Affinity DataIC50: 110nMAssay 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