Reaction Details Report a problem with these data
Target
Chymase
Ligand
BDBM50093750
Substrate
n/a
Meas. Tech.
ChEBML_197657
IC50
6±n/a nM
Citation
 Aoyama, Y; Uenaka, M; Konoike, T; Iso, Y; Nishitani, Y; Kanda, A; Naya, N; Nakajima, M 1-Oxacephem-based human chymase inhibitors: discovery of stable inhibitors in human plasma. Bioorg Med Chem Lett 10:2403-6 (2001) [PubMed]  Article 
Target
Name:
Chymase
Synonyms:
Alpha-chymase | CMA1 | CMA1_HUMAN | CYH | CYM | Chymase precursor | Mast cell protease I
Type:
Enzyme
Mol. Mass.:
27340.12
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
247
Sequence:
MLLLPLPLLLFLLCSRAEAGEIIGGTECKPHSRPYMAYLEIVTSNGPSKFCGGFLIRRNFVLTAAHCAGRSITVTLGAHNITEEEDTWQKLEVIKQFRHPKYNTSTLHHDIMLLKLKEKASLTLAVGTLPFPSQFNFVPPGRMCRVAGWGRTGVLKPGSDTLQEVKLRLMDPQACSHFRDFDHNLQLCVGNPRKTKSAFKGDSGGPLLCAGVAQGIVSYGRSDAKPPAVFTRISHYRPWINQILQAN
  
Inhibitor
Name:
BDBM50093750
Synonyms:
(6R,7R)-3-(1-Carboxymethyl-1H-tetrazol-5-ylsulfanylmethyl)-7-methoxy-7-(2-methoxy-benzoylamino)-8-oxo-5-oxa-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid 3-methyl-benzyl ester | CHEMBL82346
Type:
Small organic molecule
Emp. Form.:
C28H28N6O9S
Mol. Mass.:
624.622
SMILES:
COc1ccccc1C(=O)N[C@@]1(OC)[C@H]2OCC(CSc3nnnn3CC(O)=O)=C(N2C1=O)C(=O)OCc1cccc(C)c1 |c:30|
Structure:
Search PDB for entries with ligand similarity: