BDBM50043809 (R)-2-Benzyloxycarbonylamino-3-(1H-indol-3-yl)-propionic acid::CHEMBL65134::Cbz-D-Trp

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

InChI Key InChIKey=AHYFYYVVAXRMKB-QGZVFWFLSA-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 = 50043809   

TargetStromelysin-1(Human)
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50043809((R)-2-Benzyloxycarbonylamino-3-(1H-indol-3-yl)-pro...)
Affinity DataKi:  7.10E+4nMAssay Description:Inhibition of recombinant stromelysin catalytic domain (SCD)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetStromelysin-1(Human)
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50043809((R)-2-Benzyloxycarbonylamino-3-(1H-indol-3-yl)-pro...)
Affinity DataKi:  2.41E+5nMAssay Description:Inhibition of recombinant full length stromelysin (FLS)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetStromelysin-1(Human)
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50043809((R)-2-Benzyloxycarbonylamino-3-(1H-indol-3-yl)-pro...)
Affinity DataIC50:  2.87E+5nMAssay Description:Inhibition of recombinant full length stromelysin (FLS).More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetStromelysin-1(Human)
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50043809((R)-2-Benzyloxycarbonylamino-3-(1H-indol-3-yl)-pro...)
Affinity DataIC50:  8.60E+4nMAssay Description:In vitro inhibition of recombinant stromelysin catalytic domain.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 50043809   

HostPNGBDBM36126(gamma-cyclodextrin)
Japan Science and Technology Agency

GuestPNGBDBM50043809((R)-2-Benzyloxycarbonylamino-3-(1H-indol-3-yl)-pro...)
ITC DataΔG°: -2.34kcal/mole −TΔS°: 5.01kcal/mole ΔH°: -7.40kcal/mole logk: 53
pH: 6.9 T: 25.00°C