BDBM50127456 5-[7-(3,5-Dimethoxy-benzyloxy)-1,1-dioxo-1,3,4,5-tetrahydro-1lambda*6*-benzo[f][1,2,5]thiadiazepin-2-yl]-5-hydroxycarbamoyl-pentanoic acid methyl ester::CHEMBL52808

SMILES COC(=O)CCC[C@@H](N1CCNc2cc(OCc3cc(OC)cc(OC)c3)ccc2S1(=O)=O)C(=O)NO

InChI Key InChIKey=FEFNNGHDRQMMNY-UHFFFAOYSA-N

Data  4 KI  1 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 5 hits for monomerid = 50127456   

TargetDisintegrin and metalloproteinase domain-containing protein 17(Human)
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50127456(5-[7-(3,5-Dimethoxy-benzyloxy)-1,1-dioxo-1,3,4,5-t...)
Affinity DataKi:  10nMAssay Description:In vitro inhibitory activity against porcine tumor necrosis factor alpha converting enzyme (pTACE)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)
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50127456(5-[7-(3,5-Dimethoxy-benzyloxy)-1,1-dioxo-1,3,4,5-t...)
Affinity DataKi:  332nMAssay Description:In vitro inhibitory activity against broad spectrum matrix metalloprotease-2 (MMP-2)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetDisintegrin and metalloproteinase domain-containing protein 17(Human)
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50127456(5-[7-(3,5-Dimethoxy-benzyloxy)-1,1-dioxo-1,3,4,5-t...)
Affinity DataIC50: 900nMAssay Description:Ability to suppress the formation of TNF-aplha in human peripheral blood mononuclear cell assay(PBMC)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetMatrix metalloproteinase-9(Human)
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50127456(5-[7-(3,5-Dimethoxy-benzyloxy)-1,1-dioxo-1,3,4,5-t...)
Affinity DataKi: >2.13E+3nMAssay Description:In vitro inhibitory activity against broad spectrum matrix metalloprotease-9 (MMP-9)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetInterstitial collagenase(Human)
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50127456(5-[7-(3,5-Dimethoxy-benzyloxy)-1,1-dioxo-1,3,4,5-t...)
Affinity DataKi: >4.95E+3nMAssay Description:In vitro inhibitory activity against broad spectrum matrix metalloprotease-1 (MMP-1)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed