BDBM50072579 (8S,9R,12S)-12-Benzoyl-9-isobutyl-10-oxo-2-oxa-11-aza-bicyclo[12.2.2]octadeca-1(17),14(18),15-triene-8-carboxylic acid hydroxyamide::CHEMBL111736

SMILES CC(C)C[C@@H]1[C@H](CCCCCOc2ccc(C[C@H](NC1=O)C(=O)c1ccccc1)cc2)C(=O)NO

InChI Key InChIKey=VYGKNAIULXUTGK-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50072579   

TargetMatrilysin(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50072579((8S,9R,12S)-12-Benzoyl-9-isobutyl-10-oxo-2-oxa-11-...)
Affinity DataIC50: 2.20nMAssay Description:In vitro inhibitory activity against human recombinant matrix metalloprotease 7More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetStromelysin-1(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50072579((8S,9R,12S)-12-Benzoyl-9-isobutyl-10-oxo-2-oxa-11-...)
Affinity DataIC50: 2.70nMAssay Description:Inhibition of human recombinant matrix metalloprotease 3 (MMP3)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
Target72 kDa type IV collagenase(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50072579((8S,9R,12S)-12-Benzoyl-9-isobutyl-10-oxo-2-oxa-11-...)
Affinity DataIC50: 3.90nMAssay Description:Inhibition of matrix metalloprotease 2 (MMP2) of human HT1080 fibrosarcoma cells induced with TNFMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetInterstitial collagenase(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50072579((8S,9R,12S)-12-Benzoyl-9-isobutyl-10-oxo-2-oxa-11-...)
Affinity DataIC50: 9.10nMAssay Description:In vitro inhibitory activity against matrix metalloprotease 1 isolated from the culture medium of human skin fibroblasts induced with PMAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed