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 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 = 50043802   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Stromelysin-1 (Homo sapiens (Human))	BDBM50043802 ((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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/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 = 50043802

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
BDBM4	BDBM50043802	CHEBI MMDB PC cid PC sid PDB	CHEBI KEGG MMDB PC cid PC sid PDB		-1.15	4.54	-5.73	0.845	6.90	25
Nagoya Institute of Technology					J Am Chem Soc 126: 14224-33 (2004)
BDBM11	BDBM50043802	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI KEGG MMDB PC cid PC sid PDB		-2.88	1.21	-4.08	2.11	6.90	25
Nagoya Institute of Technology					J Am Chem Soc 126: 14224-33 (2004)
BDBM36123	BDBM50043802	PC cid PC sid	CHEBI KEGG MMDB PC cid PC sid PDB		-2.88	1.64	-4.56	2.11	6.90	25
Nagoya Institute of Technology					J Am Chem Soc 126: 14224-33 (2004)
BDBM36124	BDBM50043802	PC cid PC sid	CHEBI KEGG MMDB PC cid PC sid PDB		-3.16	1.50	-4.66	2.32	6.90	25
Nagoya Institute of Technology					J Am Chem Soc 126: 14224-33 (2004)
BDBM36125	BDBM50043802	PC cid PC sid	CHEBI KEGG MMDB PC cid PC sid PDB		-3.04	1.53	-4.56	2.23	6.90	25
Nagoya Institute of Technology					J Am Chem Soc 126: 14224-33 (2004)