BDBM50043802 (S)-2-Acetylamino-3-(4-hydroxy-phenyl)-propionic acid::CHEMBL65543::N-acetyl-L-tyrosine

SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O

InChI Key InChIKey=CAHKINHBCWCHCF-JTQLQIEISA-N

Data  1 IC50  5 ITC

PDB links: 1 PDB ID matches this monomer.

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 1 hit for monomerid = 50043802   

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

Curated by ChEMBL
LigandPNGBDBM50043802((S)-2-Acetylamino-3-(4-hydroxy-phenyl)-propionic a...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C11H13NO4/c1-7(13)12-10(11(15)16)6-8-2-4-9(14)5-3-8/h2-5,10,14H,6H2,1H3,(H,12,13)(H,15,16)/t10-/m0/s1
Affinity DataIC50: 5.00E+5nMAssay Description:In vitro inhibition of recombinant stromelysin catalytic domain.More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 5 hits for monomerid = 50043802   

HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Nagoya Institute of Technology

GuestPNGBDBM50043802((S)-2-Acetylamino-3-(4-hydroxy-phenyl)-propionic a...)
ITC DataΔG°: -1.15kcal/mole −TΔS°: 4.54kcal/mole ΔH°: -5.73kcal/mole logk: 7
pH: 6.9 T: 25.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nagoya Institute of Technology

GuestPNGBDBM50043802((S)-2-Acetylamino-3-(4-hydroxy-phenyl)-propionic a...)
ITC DataΔG°: -2.88kcal/mole −TΔS°: 1.21kcal/mole ΔH°: -4.08kcal/mole logk: 130
pH: 6.9 T: 25.00°C 
HostPNGBDBM36123(AB-TMA2-beta-cyclodextrin)
Nagoya Institute of Technology

GuestPNGBDBM50043802((S)-2-Acetylamino-3-(4-hydroxy-phenyl)-propionic a...)
ITC DataΔG°: -2.88kcal/mole −TΔS°: 1.64kcal/mole ΔH°: -4.56kcal/mole logk: 130
pH: 6.9 T: 25.00°C 
HostPNGBDBM36124(AC-TMA2-beta-cyclodextrin)
Nagoya Institute of Technology

GuestPNGBDBM50043802((S)-2-Acetylamino-3-(4-hydroxy-phenyl)-propionic a...)
ITC DataΔG°: -3.16kcal/mole −TΔS°: 1.50kcal/mole ΔH°: -4.66kcal/mole logk: 207
pH: 6.9 T: 25.00°C 
HostPNGBDBM36125(AD-TMA2-beta-cyclodextrin)
Nagoya Institute of Technology

GuestPNGBDBM50043802((S)-2-Acetylamino-3-(4-hydroxy-phenyl)-propionic a...)
ITC DataΔG°: -3.04kcal/mole −TΔS°: 1.53kcal/mole ΔH°: -4.56kcal/mole logk: 170
pH: 6.9 T: 25.00°C