BDBM50043807 (S)-2-Benzyloxycarbonylamino-3-(1H-indol-3-yl)-propionic acid::CHEMBL291603::Cbz-L-Trp

SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1

InChI Key InChIKey=AHYFYYVVAXRMKB-KRWDZBQOSA-N

Data  2 KI  2 IC50  1 ITC

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50043807   

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

Curated by ChEMBL
LigandPNGBDBM50043807((S)-2-Benzyloxycarbonylamino-3-(1H-indol-3-yl)-pro...)
Affinity DataKi:  2.10E+3nMAssay 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
LigandPNGBDBM50043807((S)-2-Benzyloxycarbonylamino-3-(1H-indol-3-yl)-pro...)
Affinity DataKi:  6.30E+3nMAssay 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
LigandPNGBDBM50043807((S)-2-Benzyloxycarbonylamino-3-(1H-indol-3-yl)-pro...)
Affinity DataIC50:  2.50E+3nMAssay 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
LigandPNGBDBM50043807((S)-2-Benzyloxycarbonylamino-3-(1H-indol-3-yl)-pro...)
Affinity DataIC50:  7.50E+3nMAssay 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 = 50043807   

HostPNGBDBM36126(gamma-cyclodextrin)
Japan Science And Technology Agency

GuestPNGBDBM50043807((S)-2-Benzyloxycarbonylamino-3-(1H-indol-3-yl)-pro...)
ITC DataΔG°: -2.39kcal/mole −TΔS°: 5.01kcal/mole ΔH°: -7.40kcal/mole logk: 57
pH: 6.9 T: 25.00°C