BDBM50554741 CHEMBL4756076::US11530244, Compound 042

SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]c3ccc(F)cc13)NC(=O)[C@H](Cc1c[nH]c3ccc(F)cc13)NC(=O)[C@@H](C)NC(=O)[C@H](CCCCN)NC(=O)CCSCc1cc(F)cc(CSC[C@H](NC(=O)[C@]3(C)CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H](NC2=O)[C@@H](C)O)C(N)=O)c1

InChI Key InChIKey=YGYMSEGRFBIXIG-RNFNLGEGSA-N

Data  1 KI  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 3 hits for monomerid = 50554741   

TargetProprotein convertase subtilisin/kexin type 9(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50554741(CHEMBL4756076 | US11530244, Compound 042)
Affinity DataKi:  11nMAssay Description:Inhibition of AlexaFluor647-tagged cyclic peptide binding to avi-tagged-biotinylated human PCSK9 measured after 2 hrs by Lance Streptavidin Europium ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetProprotein convertase subtilisin/kexin type 9/Low-density lipoprotein receptor(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM50554741(CHEMBL4756076 | US11530244, Compound 042)
Affinity DataIC50:  6.55E+3nMAssay Description:The PCSK9 Alexa FRET Standard assay measured the interaction between PCSK9 and an AlexaFluor647 (AF) tagged cyclic peptide, Reagent A (KD=83 nM). A s...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetProprotein convertase subtilisin/kexin type 9/Low-density lipoprotein receptor(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM50554741(CHEMBL4756076 | US11530244, Compound 042)
Affinity DataIC50:  3.55E+4nMAssay Description:A set of cyclic polypeptides were identified to inhibit the interaction between human PCSK9 and human LDLR. Each polypeptide has an N-terminal amino ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent