BDBM210853 US9290467, 23

SMILES c1cc2c(cc1C[C@H](NC(=O)c3ccc(cc3OCCCCO2)C(F)(F)F)C(=O)NC4(CC4)C#N)Cl

InChI Key InChIKey=XAPRSGPLBWSEHV-UHFFFAOYSA-N

Data  2 KI  7 IC50

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 210853   

TargetProcathepsin L(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM210853(US9290467, 23)
Affinity DataIC50: 50nMpH: 6.5Assay Description:Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/30/2017
Entry Details
Go to US Patent

TargetCytochrome P450 3A4(Human)
Eth Zurich

Curated by ChEMBL
LigandPNGBDBM210853(US9290467, 23)
Affinity DataIC50: 4.30E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using DBF as substrate by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/31/2020
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Eth Zurich

Curated by ChEMBL
LigandPNGBDBM210853(US9290467, 23)
Affinity DataIC50: 1.10E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using AMMC as substrate by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/31/2020
Entry Details Article
PubMed
TargetCathepsin B(Human)
Eth Zurich

Curated by ChEMBL
LigandPNGBDBM210853(US9290467, 23)
Affinity DataIC50: 9.00E+3nMAssay Description:Inhibition of human cathepsin BMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/31/2020
Entry Details Article
PubMed
TargetCathepsin L2(Human)
Eth Zurich

Curated by ChEMBL
LigandPNGBDBM210853(US9290467, 23)
Affinity DataIC50: 1.04E+3nMAssay Description:Inhibition of human cathepsin VMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/31/2020
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Eth Zurich

Curated by ChEMBL
LigandPNGBDBM210853(US9290467, 23)
Affinity DataIC50: 1.60E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using MFC as substrate by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/31/2020
Entry Details Article
PubMed
TargetCathepsin S(Human)
Eth Zurich

Curated by ChEMBL
LigandPNGBDBM210853(US9290467, 23)
Affinity DataIC50: 2.70E+3nMAssay Description:Inhibition of human cathepsin SMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/31/2020
Entry Details Article
PubMed
TargetProcathepsin L(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM210853(US9290467, 23)
Affinity DataKi:  10nMAssay Description:Inhibition of human CatL using Cbz-Phe-Arg-AMC as substrate measured over 30 mins by fluorimetric methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/31/2020
Entry Details Article
PubMed
TargetCysteine protease(Trypanosoma brucei rhodesiense)
Eth Zurich

Curated by ChEMBL
LigandPNGBDBM210853(US9290467, 23)
Affinity DataKi:  11nMAssay Description:Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/31/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)