BDBM19807 CHEMBL100563::benzyl N-[(1S)-1-({1-[(2S)-2-{[(benzyloxy)carbonyl]amino}-4-methylpentanoyl]-4-oxopyrrolidin-3-yl}carbamoyl)-3-methylbutyl]carbamate::pyrrolidinone analogue, 24

SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CN(CC1=O)C(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1

InChI Key InChIKey=GXENQLUSOCKXDN-TXIPYEPDSA-N

Data  12 KI

PDB links: 1 PDB ID matches this monomer.

  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 12 hits for monomerid = 19807   

TargetCathepsin K(Human)
Bayer Research Center

Curated by ChEMBL
LigandPNGBDBM19807(CHEMBL100563 | benzyl N-[(1S)-1-({1-[(2S)-2-{[(ben...)
Affinity DataKi:  2nMAssay Description:Inhibitory activity of the compound against Cathepsin KMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetCathepsin K(Human)
Bayer Research Center

Curated by ChEMBL
LigandPNGBDBM19807(CHEMBL100563 | benzyl N-[(1S)-1-({1-[(2S)-2-{[(ben...)
Affinity DataKi:  2.30nMAssay Description:Inhibition of cathepsin K (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetCathepsin K(Human)
Bayer Research Center

Curated by ChEMBL
LigandPNGBDBM19807(CHEMBL100563 | benzyl N-[(1S)-1-({1-[(2S)-2-{[(ben...)
Affinity DataKi:  2.30nMAssay Description:Affinity for human Cathepsin KMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetCathepsin K(Human)
Bayer Research Center

Curated by ChEMBL
LigandPNGBDBM19807(CHEMBL100563 | benzyl N-[(1S)-1-({1-[(2S)-2-{[(ben...)
Affinity DataKi:  2.30nM ΔG°:  -11.7kcal/molepH: 5.5 T: 22°CAssay Description:Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solut...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetCathepsin K(Human)
Bayer Research Center

Curated by ChEMBL
LigandPNGBDBM19807(CHEMBL100563 | benzyl N-[(1S)-1-({1-[(2S)-2-{[(ben...)
Affinity DataKi:  2.30nMAssay Description:Inhibition of cathepsin KMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetProcathepsin L(Human)
Gsk

LigandPNGBDBM19807(CHEMBL100563 | benzyl N-[(1S)-1-({1-[(2S)-2-{[(ben...)
Affinity DataKi:  39nMAssay Description:Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solut...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetProcathepsin L(Human)
Gsk

LigandPNGBDBM19807(CHEMBL100563 | benzyl N-[(1S)-1-({1-[(2S)-2-{[(ben...)
Affinity DataKi:  39nMAssay Description:Inhibition of cathepsin LMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetProcathepsin L(Human)
Gsk

LigandPNGBDBM19807(CHEMBL100563 | benzyl N-[(1S)-1-({1-[(2S)-2-{[(ben...)
Affinity DataKi:  39nMAssay Description:Affinity for human Cathepsin LMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCathepsin S(Human)
Gsk

LigandPNGBDBM19807(CHEMBL100563 | benzyl N-[(1S)-1-({1-[(2S)-2-{[(ben...)
Affinity DataKi:  90nMAssay Description:Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solut...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCathepsin B(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM19807(CHEMBL100563 | benzyl N-[(1S)-1-({1-[(2S)-2-{[(ben...)
Affinity DataKi: >1.00E+3nMAssay Description:Affinity for human Cathepsin BMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCathepsin B(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM19807(CHEMBL100563 | benzyl N-[(1S)-1-({1-[(2S)-2-{[(ben...)
Affinity DataKi: >1.00E+3nM ΔG°: >-8.10kcal/molepH: 5.5 T: 22°CAssay Description:Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solut...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCathepsin B(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM19807(CHEMBL100563 | benzyl N-[(1S)-1-({1-[(2S)-2-{[(ben...)
Affinity DataKi: >1.00E+3nMAssay Description:Inhibition of cathepsin BMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed