BDBM50107626 3-{(R)-2-Cyano-2-[(S)-2-(2,4-difluoro-benzoylamino)-3-m-tolyl-propionylamino]-ethoxymethyl}-benzoic acid::3-{2-Cyano-2-[2-(2,4-difluoro-benzoylamino)-3-m-tolyl-propionylamino]-ethoxymethyl}-benzoic acid::CHEMBL134083

SMILES Cc1cccc(C[C@H](NC(=O)c2ccc(F)cc2F)C(=O)N[C@@H](COCc2cccc(c2)C(O)=O)C#N)c1

InChI Key InChIKey=LNRUTWQSWUTEMQ-UHFFFAOYSA-N

Data  4 KI  6 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50107626   

TargetProcathepsin L(Human)
Novartis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50107626(3-{(R)-2-Cyano-2-[(S)-2-(2,4-difluoro-benzoylamino...)
Affinity DataIC50: 554nMAssay Description:Inhibitory activity against recombinant human cathepsin L (cat L) expressed in baculovirusMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCathepsin B(Human)
Novartis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50107626(3-{(R)-2-Cyano-2-[(S)-2-(2,4-difluoro-benzoylamino...)
Affinity DataIC50: 6.80nMAssay Description:Inhibitory activity against recombinant human cathepsin B (cat B) expressed in baculovirus.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCathepsin S(Human)
Novartis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50107626(3-{(R)-2-Cyano-2-[(S)-2-(2,4-difluoro-benzoylamino...)
Affinity DataIC50: 937nMAssay Description:Inhibitory activity against recombinant human cathepsin S (cat S) expressed in baculovirusMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCathepsin B(Human)
Novartis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50107626(3-{(R)-2-Cyano-2-[(S)-2-(2,4-difluoro-benzoylamino...)
Affinity DataIC50: 10nMAssay Description:Inhibition of recombinant human cathepsin B expressed in baculovirus expression system using Z-Arg-Arg-AMC as substrate incubated for 20 mins by fluo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetCathepsin B(Human)
Novartis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50107626(3-{(R)-2-Cyano-2-[(S)-2-(2,4-difluoro-benzoylamino...)
Affinity DataIC50: 180nMAssay Description:Competitive inhibition of human cathepsin B using Z-RR-AMC as substrate assessed as inhibition constant preincubated for 20 mins followed by pre-acti...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed
TargetCathepsin B(Human)
Novartis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50107626(3-{(R)-2-Cyano-2-[(S)-2-(2,4-difluoro-benzoylamino...)
Affinity DataIC50: 6.80nMAssay Description:Inhibition of recombinant human cathepsin B expressed in baculovirus expression system using Z-Arg-Arg-AMC as substrate measured at 20 mins by fluore...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed
TargetCathepsin B(Human)
Novartis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50107626(3-{(R)-2-Cyano-2-[(S)-2-(2,4-difluoro-benzoylamino...)
Affinity DataKi:  109nMAssay Description:Inhibition of human cathepsin B using Z-RR-AMC as substrate assessed as inhibition constant preincubated for 20 mins followed by pre-activated enzyme...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed
TargetCathepsin S(Human)
Novartis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50107626(3-{(R)-2-Cyano-2-[(S)-2-(2,4-difluoro-benzoylamino...)
Affinity DataKi:  406nMAssay Description:Inhibition of human cathepsin S using Z-VVR-AMC as substrate preincubated for 20 mins followed by pre-activated enzyme addition and measured after 15...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed
TargetProcathepsin L(Human)
Novartis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50107626(3-{(R)-2-Cyano-2-[(S)-2-(2,4-difluoro-benzoylamino...)
Affinity DataKi:  661nMAssay Description:Inhibition of human cathepsin L using Z-FR-AMC as substrate preincubated for 20 mins followed by pre-activated enzyme addition and measured after 15 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed
TargetCathepsin K(Human)
Helmholtz-Zentrum Dresden-Rossendorf

Curated by ChEMBL
LigandPNGBDBM50107626(3-{(R)-2-Cyano-2-[(S)-2-(2,4-difluoro-benzoylamino...)
Affinity DataKi:  2.59E+4nMAssay Description:Inhibition of human cathepsin K using Z-LR-AMC as substrate preincubated for 20 mins followed by pre-activated enzyme addition and measured after 15 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed