BDBM19769 (2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4S)-3-oxo-1-(pyridine-2-sulfonyl)azepan-4-yl]pentanamide::Azepan-3-one compound 1::CHEMBL286364

SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CCCN(CC1=O)S(=O)(=O)c1ccccn1

InChI Key InChIKey=VBPPNJCVXGAZDD-UHFFFAOYSA-N

Data  15 KI  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 19769   

TargetCathepsin K(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM19769(CHEMBL286364 | (2S)-2-(1-benzofuran-2-ylformamido)...)
Affinity DataIC50: 70nMAssay Description:In vitro inhibitory concentration against cathepsin K in cell-based assay of bone resorptionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCathepsin S(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM19769(CHEMBL286364 | (2S)-2-(1-benzofuran-2-ylformamido)...)
Affinity DataIC50: 80nMAssay Description:In situ inhibitory concentration against cathepsin in human tissue sections containing osteoclastsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCathepsin K(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM19769(CHEMBL286364 | (2S)-2-(1-benzofuran-2-ylformamido)...)
Affinity DataIC50: 80nMAssay Description:In vitro IC50 value was measured using in situ cytochem assay.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCathepsin K(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM19769(CHEMBL286364 | (2S)-2-(1-benzofuran-2-ylformamido)...)
Affinity DataIC50: 70nMAssay Description:in vitro cell based assay for measuring the IC50 values of osteoblast resorption.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCathepsin K(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM19769(CHEMBL286364 | (2S)-2-(1-benzofuran-2-ylformamido)...)
Affinity DataKi:  0.160nM ΔG°:  -13.2kcal/molepH: 5.5 T: 2°CAssay Description:Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/5/2008
Entry Details Article
PubMed
TargetCathepsin K(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM19769(CHEMBL286364 | (2S)-2-(1-benzofuran-2-ylformamido)...)
Affinity DataKi:  0.160nMAssay Description:Apparent inhibitory constant against human cathepsin KMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCathepsin K(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM19769(CHEMBL286364 | (2S)-2-(1-benzofuran-2-ylformamido)...)
Affinity DataKi:  0.160nMAssay Description:Inhibition of Human cathepsin KMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCathepsin L2(Human)
Gsk

LigandPNGBDBM19769(CHEMBL286364 | (2S)-2-(1-benzofuran-2-ylformamido)...)
Affinity DataKi:  1.80nMAssay Description:Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/5/2008
Entry Details Article
PubMed
TargetProcathepsin L(Human)
Gsk

LigandPNGBDBM19769(CHEMBL286364 | (2S)-2-(1-benzofuran-2-ylformamido)...)
Affinity DataKi:  2.20nM ΔG°:  -11.7kcal/molepH: 5.5 T: 2°CAssay Description:Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/5/2008
Entry Details Article
PubMed
TargetProcathepsin L(Human)
Gsk

LigandPNGBDBM19769(CHEMBL286364 | (2S)-2-(1-benzofuran-2-ylformamido)...)
Affinity DataKi:  2.20nMAssay Description:Inhibitory activity against Human cathepsin LMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetProcathepsin L(Human)
Gsk

LigandPNGBDBM19769(CHEMBL286364 | (2S)-2-(1-benzofuran-2-ylformamido)...)
Affinity DataKi:  2.20nMAssay Description:Apparent inhibitory constant against human cathepsin LMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCathepsin S(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM19769(CHEMBL286364 | (2S)-2-(1-benzofuran-2-ylformamido)...)
Affinity DataKi:  4nMAssay Description:Inhibitory activity against Human cathepsin SMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCathepsin S(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM19769(CHEMBL286364 | (2S)-2-(1-benzofuran-2-ylformamido)...)
Affinity DataKi:  4nMAssay Description:Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/5/2008
Entry Details Article
PubMed
TargetCathepsin S(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM19769(CHEMBL286364 | (2S)-2-(1-benzofuran-2-ylformamido)...)
Affinity DataKi:  4.30nMAssay Description:Apparent inhibitory constant against human cathepsin SMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCathepsin K(Rat)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM19769(CHEMBL286364 | (2S)-2-(1-benzofuran-2-ylformamido)...)
Affinity DataKi:  60nMAssay Description:Inhibitory activity against Rat cathepsin KMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCathepsin K(Rat)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM19769(CHEMBL286364 | (2S)-2-(1-benzofuran-2-ylformamido)...)
Affinity DataKi:  60nMAssay Description:Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/5/2008
Entry Details Article
PubMed
TargetCathepsin B(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM19769(CHEMBL286364 | (2S)-2-(1-benzofuran-2-ylformamido)...)
Affinity DataKi:  500nMAssay Description:Apparent inhibitory constant against human cathepsin BMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCathepsin B(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM19769(CHEMBL286364 | (2S)-2-(1-benzofuran-2-ylformamido)...)
Affinity DataKi:  500nMAssay Description:Inhibitory activity against Human cathepsin BMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCathepsin B(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM19769(CHEMBL286364 | (2S)-2-(1-benzofuran-2-ylformamido)...)
Affinity DataKi:  500nMAssay Description:Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/5/2008
Entry Details Article
PubMed