BDBM50001016 Acetic acid 3-acetoxy-5-methoxy-2-methyl-6-(3,10,12-trihydroxy-2-methoxy-3-methyl-4,6,11-trioxo-1,2,3,4,6,11-hexahydro-naphthacen-1-yloxy)-tetrahydro-pyran-4-yl ester::CHEMBL91905

SMILES COC1C(O[C@H]2[C@H](OC)[C@](C)(O)C(=O)c3cc4C(=O)c5cccc(O)c5C(=O)c4c(O)c23)OC(C)C(OC(C)=O)C1OC(C)=O

InChI Key InChIKey=OJKKCGQMPIPJOV-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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 = 50001016   

Target72 kDa type IV collagenase(Human)
Technical University of Denmark

Curated by ChEMBL
LigandPNGBDBM50001016(CHEMBL91905 | Acetic acid 3-acetoxy-5-methoxy-2-me...)
Affinity DataIC50: 1.00E+5nMAssay Description:Concentration inhibiting Clostridium histolyticum collagenase.More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/22/2012
Entry Details Article
PubMed