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
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)) | BDBM50043820 ((R)-2-Acetylamino-3-(4-hydroxy-phenyl)-propionic a...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid 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 |
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 | BDBM50043820 | CHEBI MMDB PC cid PC sid PDB | CHEBI KEGG PC cid PC sid | -1.29 | 2.63 | -3.82 | 0.954 | 6.90 | 25 | |
Nagoya Institute of Technology | J Am Chem Soc 126: 14224-33 (2004) | |||||||||
BDBM11 | BDBM50043820 | CHEBI KEGG MMDB PC cid PC sid PDB | CHEBI KEGG PC cid PC sid | -2.86 | 1.13 | -3.99 | 2.10 | 6.90 | 25 | |
Nagoya Institute of Technology | J Am Chem Soc 126: 14224-33 (2004) | |||||||||
BDBM36123 | BDBM50043820 | PC cid PC sid | CHEBI KEGG PC cid PC sid | -2.95 | 1.64 | -4.59 | 2.16 | 6.90 | 25 | |
Nagoya Institute of Technology | J Am Chem Soc 126: 14224-33 (2004) | |||||||||
BDBM36124 | BDBM50043820 | PC cid PC sid | CHEBI KEGG PC cid PC sid | -3.16 | 1.55 | -4.71 | 2.31 | 6.90 | 25 | |
Nagoya Institute of Technology | J Am Chem Soc 126: 14224-33 (2004) | |||||||||
BDBM36125 | BDBM50043820 | PC cid PC sid | CHEBI KEGG PC cid PC sid | -2.91 | 1.17 | -4.08 | 2.13 | 6.90 | 25 | |
Nagoya Institute of Technology | J Am Chem Soc 126: 14224-33 (2004) |