BDBM50043796 (S)-2-Benzyloxycarbonylamino-3-phenyl-propionic acid::CHEMBL66143::Cbz-L-Phe::N-Benzyloxycarbonyl-S-phenylalanine

SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

InChI Key InChIKey=RRONHWAVOYADJL-HNNXBMFYSA-N

Data  2 KI  2 IC50  1 ITC

  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 4 hits for monomerid = 50043796   

TargetStromelysin-1(Homo sapiens (Human))
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50043796((S)-2-Benzyloxycarbonylamino-3-phenyl-propionic ac...)
Affinity DataKi:  3.30E+4nMAssay Description:Inhibition of recombinant stromelysin catalytic domain (SCD)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetStromelysin-1(Homo sapiens (Human))
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50043796((S)-2-Benzyloxycarbonylamino-3-phenyl-propionic ac...)
Affinity DataKi:  8.30E+4nMAssay Description:Inhibition of recombinant full length stromelysin (FLS)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetStromelysin-1(Homo sapiens (Human))
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50043796((S)-2-Benzyloxycarbonylamino-3-phenyl-propionic ac...)
Affinity DataIC50:  4.00E+4nMAssay Description:In vitro inhibition of recombinant stromelysin catalytic domain.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetStromelysin-1(Homo sapiens (Human))
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50043796((S)-2-Benzyloxycarbonylamino-3-phenyl-propionic ac...)
Affinity DataIC50:  9.90E+4nMAssay Description:Inhibition of recombinant full length stromelysin (FLS).More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 50043796   

HostPNGBDBM36126(gamma-cyclodextrin)
Japan Science And Technology Agency

GuestPNGBDBM50043796((S)-2-Benzyloxycarbonylamino-3-phenyl-propionic ac...)
ITC DataΔG°: -3.09kcal/mole −TΔS°: 0.0214kcal/mole ΔH°: -3.06kcal/mole logk: 185
pH: 6.9 T: 25.00°C