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BDBM50043820 (R)-2-Acetylamino-3-(4-hydroxy-phenyl)-propionic acid::CHEMBL291831::N-acetyl-D-tyrosine

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

InChI Key: InChIKey=CAHKINHBCWCHCF-SNVBAGLBSA-N

Data: 1 IC50  5 ITC

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50043820   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Stromelysin-1


(Homo sapiens (Human))
BDBM50043820
PNG
((R)-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-/m1/s1
PDB
MMDB

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CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant stromelysin catalytic domain.


J Med Chem 37: 206-9 (1994)


BindingDB Entry DOI: 10.7270/Q2X34WH1
More data for this
Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 5 hits for monomerid = 50043820
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
BDBM4
JPEG
BDBM50043820
JPEG
CHEBI
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-1.292.63-3.820.9546.9025



Nagoya Institute of Technology





J Am Chem Soc 126: 14224-33 (2004)

BDBM11
JPEG
BDBM50043820
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
-2.861.13-3.992.106.9025



Nagoya Institute of Technology





J Am Chem Soc 126: 14224-33 (2004)

BDBM36123
JPEG
BDBM50043820
JPEG
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
-2.951.64-4.592.166.9025



Nagoya Institute of Technology





J Am Chem Soc 126: 14224-33 (2004)

BDBM36124
JPEG
BDBM50043820
JPEG
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
-3.161.55-4.712.316.9025



Nagoya Institute of Technology





J Am Chem Soc 126: 14224-33 (2004)

BDBM36125
JPEG
BDBM50043820
JPEG
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
-2.911.17-4.082.136.9025



Nagoya Institute of Technology





J Am Chem Soc 126: 14224-33 (2004)