BDBM50127452 5-[7-(3,5-Diethoxy-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::CHEMBL299997

SMILES CCOc1cc(COc2ccc3c(NCCN([C@H](CCCC(=O)OC)C(=O)NO)S3(=O)=O)c2)cc(OCC)c1

InChI Key InChIKey=CZUPUFGAPNROGT-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 = 50127452   

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

Curated by ChEMBL
LigandPNGBDBM50127452(5-[7-(3,5-Diethoxy-benzyloxy)-1,1-dioxo-1,3,4,5-te...)
Affinity DataKi:  13nMAssay 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
LigandPNGBDBM50127452(5-[7-(3,5-Diethoxy-benzyloxy)-1,1-dioxo-1,3,4,5-te...)
Affinity DataIC50: 1.10E+3nMAssay 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
Target72 kDa type IV collagenase(Human)
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50127452(5-[7-(3,5-Diethoxy-benzyloxy)-1,1-dioxo-1,3,4,5-te...)
Affinity DataKi:  1.38E+3nMAssay 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
LigandPNGBDBM50127452(5-[7-(3,5-Diethoxy-benzyloxy)-1,1-dioxo-1,3,4,5-te...)
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
LigandPNGBDBM50127452(5-[7-(3,5-Diethoxy-benzyloxy)-1,1-dioxo-1,3,4,5-te...)
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
TargetDisintegrin and metalloproteinase domain-containing protein 17(Human)
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50127452(5-[7-(3,5-Diethoxy-benzyloxy)-1,1-dioxo-1,3,4,5-te...)
Affinity DataIC50: 2.40E+4nMAssay 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