BDBM50186088 (S)-2-amino-N-((S)-2-(biphenyl-4-yl)-1-cyanoethyl)butanamide::(S)-2-amino-N-((S)-2-biphenyl-4-yl-1-cyano-ethyl)-butyramide::CHEMBL212521

SMILES CC[C@H](N)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C#N

InChI Key InChIKey=DPOJEFZKFIWUGN-ROUUACIJSA-N

Data  4 KI  13 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50186088   

TargetCathepsin B(Homo sapiens (Human))
Genomics Institute Of The Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50186088((S)-2-amino-N-((S)-2-(biphenyl-4-yl)-1-cyanoethyl)...)
Affinity DataKi: >10nMAssay Description:Inhibition of human recombinant cathepsin B by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin S(Homo sapiens (Human))
Genomics Institute Of The Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50186088((S)-2-amino-N-((S)-2-(biphenyl-4-yl)-1-cyanoethyl)...)
Affinity DataKi: >10nMAssay Description:Inhibition of human recombinant cathepsin S by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPro-cathepsin H(Homo sapiens (Human))
Genomics Institute Of The Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50186088((S)-2-amino-N-((S)-2-(biphenyl-4-yl)-1-cyanoethyl)...)
Affinity DataKi:  3.70E+3nMAssay Description:Inhibition of human recombinant cathepsin H by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin K(Homo sapiens (Human))
Genomics Institute Of The Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50186088((S)-2-amino-N-((S)-2-(biphenyl-4-yl)-1-cyanoethyl)...)
Affinity DataKi:  1.80E+4nMAssay Description:Inhibition of human recombinant cathepsin K by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDipeptidyl peptidase 1(Homo sapiens (Human))
Genomics Institute Of The Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50186088((S)-2-amino-N-((S)-2-(biphenyl-4-yl)-1-cyanoethyl)...)
Affinity DataIC50:  6.10E+3nMAssay Description:Inhibition of cathepsin C in human B721 cells by FACS assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProcathepsin L(Homo sapiens (Human))
Arpida

Curated by ChEMBL
LigandPNGBDBM50186088((S)-2-amino-N-((S)-2-(biphenyl-4-yl)-1-cyanoethyl)...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of Cathepsin LMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Arpida

Curated by ChEMBL
LigandPNGBDBM50186088((S)-2-amino-N-((S)-2-(biphenyl-4-yl)-1-cyanoethyl)...)
Affinity DataIC50:  1.26E+4nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin B(Homo sapiens (Human))
Genomics Institute Of The Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50186088((S)-2-amino-N-((S)-2-(biphenyl-4-yl)-1-cyanoethyl)...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of Cathepsin BMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Arpida

Curated by ChEMBL
LigandPNGBDBM50186088((S)-2-amino-N-((S)-2-(biphenyl-4-yl)-1-cyanoethyl)...)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP2C19More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Arpida

Curated by ChEMBL
LigandPNGBDBM50186088((S)-2-amino-N-((S)-2-(biphenyl-4-yl)-1-cyanoethyl)...)
Affinity DataIC50:  3.60E+3nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Arpida

Curated by ChEMBL
LigandPNGBDBM50186088((S)-2-amino-N-((S)-2-(biphenyl-4-yl)-1-cyanoethyl)...)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Arpida

Curated by ChEMBL
LigandPNGBDBM50186088((S)-2-amino-N-((S)-2-(biphenyl-4-yl)-1-cyanoethyl)...)
Affinity DataIC50:  1.49E+4nMAssay Description:Inhibition of CYP1A2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDipeptidyl peptidase 1(Homo sapiens (Human))
Genomics Institute Of The Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50186088((S)-2-amino-N-((S)-2-(biphenyl-4-yl)-1-cyanoethyl)...)
Affinity DataIC50:  1.00E+4nMAssay Description:Blockade of conjugation of cathepsin C in human B721 cells to I125-labeled (S)-2-amino-N-((S)-1-(4-hydroxy-3-iodophenylsulfonyl)-5-phenylpent-1-en-3-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPro-cathepsin H(Homo sapiens (Human))
Genomics Institute Of The Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50186088((S)-2-amino-N-((S)-2-(biphenyl-4-yl)-1-cyanoethyl)...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of Cathepsin HMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDipeptidyl peptidase 1(Homo sapiens (Human))
Genomics Institute Of The Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50186088((S)-2-amino-N-((S)-2-(biphenyl-4-yl)-1-cyanoethyl)...)
Affinity DataIC50:  13nMAssay Description:Inhibition of human DPP1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDipeptidyl peptidase 1(Homo sapiens (Human))
Genomics Institute Of The Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50186088((S)-2-amino-N-((S)-2-(biphenyl-4-yl)-1-cyanoethyl)...)
Affinity DataIC50:  2nMAssay Description:Inhibition of recombinant human cathepsin C using H-Gly-Arg-AMC as substrate preincubated for 30 mins before substrate addition measured after 60 min...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDipeptidyl peptidase 1(Homo sapiens (Human))
Genomics Institute Of The Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50186088((S)-2-amino-N-((S)-2-(biphenyl-4-yl)-1-cyanoethyl)...)
Affinity DataIC50:  63nMAssay Description:Inhibition of cathepsin C in human THP1 cells assessed as inhibition of H-Gly-Phe-AFC cleavage by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed