BDBM50127453 4-[7-(3,5-Diethoxy-benzyloxy)-1,1-dioxo-1,3,4,5-tetrahydro-1lambda*6*-benzo[f][1,2,5]thiadiazepin-2-yl]-4-hydroxycarbamoyl-butyric acid methyl ester::CHEMBL53250

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

InChI Key InChIKey=HTAGYDAMQNRLDD-JOCHJYFZSA-N

Data  4 KI  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 5 hits for monomerid = 50127453   

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

Curated by ChEMBL
LigandPNGBDBM50127453(4-[7-(3,5-Diethoxy-benzyloxy)-1,1-dioxo-1,3,4,5-te...)
Affinity DataKi:  242nMAssay Description:In vitro inhibitory activity against porcine tumor necrosis factor alpha converting enzyme (pTACE)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target72 kDa type IV collagenase(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50127453(4-[7-(3,5-Diethoxy-benzyloxy)-1,1-dioxo-1,3,4,5-te...)
Affinity DataKi:  960nMAssay Description:In vitro inhibitory activity against broad spectrum matrix metalloprotease-2 (MMP-2)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50127453(4-[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 DepthDetails ArticlePubMed
TargetInterstitial collagenase(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50127453(4-[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 DepthDetails ArticlePubMed
TargetDisintegrin and metalloproteinase domain-containing protein 17(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50127453(4-[7-(3,5-Diethoxy-benzyloxy)-1,1-dioxo-1,3,4,5-te...)
Affinity DataIC50:  6.20E+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 DepthDetails ArticlePubMed