BDBM50102594 7-Isobutyl-8-oxo-2-oxa-9-aza-bicyclo[10.2.2]hexadeca-1(15),12(16),13-triene-6,10-dicarboxylic acid 6-hydroxyamide 10-methylcarbamoylmethyl-amide(SL422)::CHEMBL88520

SMILES CNC(=O)CNC(=O)[C@@H]1Cc2ccc(OCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2

InChI Key InChIKey=HFAGTNGCAZYYLZ-UHFFFAOYSA-N

Data  11 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 12 hits for monomerid = 50102594   

TargetDisintegrin and metalloproteinase domain-containing protein 17(Human)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50102594(7-Isobutyl-8-oxo-2-oxa-9-aza-bicyclo[10.2.2]hexade...)
Affinity DataIC50: 220nMAssay Description:Inhibition of LPS-stimulated TNF-alpha release in human whole bloodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetCollagenase 3(Human)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50102594(7-Isobutyl-8-oxo-2-oxa-9-aza-bicyclo[10.2.2]hexade...)
Affinity DataKi:  0.450nMAssay Description:Inhibition of matrix metalloprotease-13More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetNeutrophil collagenase(Human)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50102594(7-Isobutyl-8-oxo-2-oxa-9-aza-bicyclo[10.2.2]hexade...)
Affinity DataKi:  0.5nMAssay Description:Inhibition of matrix metalloprotease-8More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetMatrilysin(Human)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50102594(7-Isobutyl-8-oxo-2-oxa-9-aza-bicyclo[10.2.2]hexade...)
Affinity DataKi:  0.800nMAssay Description:Inhibition of matrix metalloprotease-7More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetMatrix metalloproteinase-9(Human)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50102594(7-Isobutyl-8-oxo-2-oxa-9-aza-bicyclo[10.2.2]hexade...)
Affinity DataKi:  0.900nMAssay Description:In vitro inhibition of human MMP-9.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
Target72 kDa type IV collagenase(Human)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50102594(7-Isobutyl-8-oxo-2-oxa-9-aza-bicyclo[10.2.2]hexade...)
Affinity DataKi:  1.10nMAssay Description:Inhibition of matrix metalloprotease-2More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetInterstitial collagenase(Human)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50102594(7-Isobutyl-8-oxo-2-oxa-9-aza-bicyclo[10.2.2]hexade...)
Affinity DataKi:  3nMAssay Description:In vitro inhibition of human MMP-1.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
LigandPNGBDBM50102594(7-Isobutyl-8-oxo-2-oxa-9-aza-bicyclo[10.2.2]hexade...)
Affinity DataKi:  12nMAssay Description:Inhibition of porcine TNF-alpha converting enzyme (pTACE).More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetStromelysin-1(Human)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50102594(7-Isobutyl-8-oxo-2-oxa-9-aza-bicyclo[10.2.2]hexade...)
Affinity DataKi:  14nMAssay Description:Inhibition of human MMP-3.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetMatrix metalloproteinase-15(Human)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50102594(7-Isobutyl-8-oxo-2-oxa-9-aza-bicyclo[10.2.2]hexade...)
Affinity DataKi:  20nMAssay Description:Inhibition of matrix metalloprotease-15More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetMatrix metalloproteinase-16(Human)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50102594(7-Isobutyl-8-oxo-2-oxa-9-aza-bicyclo[10.2.2]hexade...)
Affinity DataKi:  35nMAssay Description:Inhibition of matrix metalloprotease-16More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetMatrix metalloproteinase-14(Human)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50102594(7-Isobutyl-8-oxo-2-oxa-9-aza-bicyclo[10.2.2]hexade...)
Affinity DataKi:  94nMAssay Description:Inhibition of matrix metalloprotease-14More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed