BDBM50127460 CHEMBL52659::N-Hydroxy-2-[7-(3-nitro-phenoxy)-1,1-dioxo-1,3,4,5-tetrahydro-1lambda*6*-benzo[f][1,2,5]thiadiazepin-2-yl]-propionamide

SMILES C[C@@H](N1CCNc2cc(Oc3cccc(c3)[N+]([O-])=O)ccc2S1(=O)=O)C(=O)NO

InChI Key InChIKey=HEHZCMROVKSJTK-UHFFFAOYSA-N

Data  4 KI  2 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 6 hits for monomerid = 50127460   

Target72 kDa type IV collagenase(Human)
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50127460(N-Hydroxy-2-[7-(3-nitro-phenoxy)-1,1-dioxo-1,3,4,5...)
Affinity DataKi:  85nMAssay 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
TargetMatrix metalloproteinase-9(Human)
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50127460(N-Hydroxy-2-[7-(3-nitro-phenoxy)-1,1-dioxo-1,3,4,5...)
Affinity DataKi:  96nMAssay 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
TargetDisintegrin and metalloproteinase domain-containing protein 17(Human)
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50127460(N-Hydroxy-2-[7-(3-nitro-phenoxy)-1,1-dioxo-1,3,4,5...)
Affinity DataKi:  129nMAssay 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
TargetDisintegrin and metalloproteinase domain-containing protein 17(Human)
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50127460(N-Hydroxy-2-[7-(3-nitro-phenoxy)-1,1-dioxo-1,3,4,5...)
Affinity DataIC50: 470nMAssay 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
TargetDisintegrin and metalloproteinase domain-containing protein 17(Human)
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50127460(N-Hydroxy-2-[7-(3-nitro-phenoxy)-1,1-dioxo-1,3,4,5...)
Affinity DataIC50: 1.40E+3nMAssay Description:Ability to suppress the formation of TNF-aplha in human whole blood assay (WBA)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
LigandPNGBDBM50127460(N-Hydroxy-2-[7-(3-nitro-phenoxy)-1,1-dioxo-1,3,4,5...)
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