BDBM50432601 CHEMBL2347208::US9296734, 102

SMILES C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F

InChI Key InChIKey=MELQHVBGGSKVJQ-YJBOKZPZSA-N

Data  13 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 13 hits for monomerid = 50432601   

TargetBeta-secretase 1(Homo sapiens (Human))
Amgen

US Patent
LigandPNGBDBM50432601(CHEMBL2347208 | US9296734, 102)
Affinity DataIC50:  11.5nMT: 2°CAssay Description:The cell-based assay measures inhibition or reduction of Aβ40 in conditioned medium of test compound treated cells expressing amyloid precursor ...More data for this Ligand-Target Pair
TargetBeta-secretase 1(Homo sapiens (Human))
Amgen

US Patent
LigandPNGBDBM50432601(CHEMBL2347208 | US9296734, 102)
Affinity DataIC50:  2.82E+3nMT: 2°CAssay Description:The cell-based assay measures inhibition or reduction of Aβ40 in conditioned medium of test compound treated cells expressing amyloid precursor ...More data for this Ligand-Target Pair
TargetBeta-secretase 1(Homo sapiens (Human))
Amgen

US Patent
LigandPNGBDBM50432601(CHEMBL2347208 | US9296734, 102)
Affinity DataIC50:  30.4nMpH: 4.2Assay Description:The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...More data for this Ligand-Target Pair
TargetCathepsin D(Homo sapiens (Human))
Amgen

US Patent
LigandPNGBDBM50432601(CHEMBL2347208 | US9296734, 102)
Affinity DataIC50: >4.00E+5nMpH: 3.5Assay Description:Recombinant Cat D was expressed in CHO cells. The assay buffer for CathepsinD is 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The Cat D enzyme ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetBeta-secretase 1(Homo sapiens (Human))
Amgen

US Patent
LigandPNGBDBM50432601(CHEMBL2347208 | US9296734, 102)
Affinity DataIC50:  12nMAssay Description:Inhibition of human BACE1 using MR121-labeled substrate incubated for 4 mins prior to substrate addition measured after 2 mins by spectrophotometric ...More data for this Ligand-Target Pair
TargetBeta-secretase 1(Homo sapiens (Human))
Amgen

US Patent
LigandPNGBDBM50432601(CHEMBL2347208 | US9296734, 102)
Affinity DataIC50:  2nMAssay Description:Inhibition of human BACE1 in HEK293 cells transfected with wild type APP assessed as reduction of amyloid beta40 level after 18 to 20 hrs by AlphaLIS...More data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50432601(CHEMBL2347208 | US9296734, 102)
Affinity DataIC50: >2.50E+4nMAssay Description:Inhibition of human CYP3A4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRenin(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50432601(CHEMBL2347208 | US9296734, 102)
Affinity DataIC50: >2.00E+5nMAssay Description:Inhibition of rennin (unknown origin) using WIPHPFHLVIHTC-MR121 as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin E(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50432601(CHEMBL2347208 | US9296734, 102)
Affinity DataIC50: >2.00E+5nMAssay Description:Inhibition of human recombinant Cathepsin E using MR121-CKLVFFAEDW as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin D(Homo sapiens (Human))
Amgen

US Patent
LigandPNGBDBM50432601(CHEMBL2347208 | US9296734, 102)
Affinity DataIC50: >2.00E+5nMAssay Description:Inhibition of human Cathepsin D using WTSVLMAAPC-MR121 as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50432601(CHEMBL2347208 | US9296734, 102)
Affinity DataIC50: >2.50E+4nMAssay Description:Inhibition of human CYP2C9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50432601(CHEMBL2347208 | US9296734, 102)
Affinity DataIC50: >2.50E+4nMAssay Description:Inhibition of human CYP2D6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPepsin A(Porcine)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50432601(CHEMBL2347208 | US9296734, 102)
Affinity DataIC50: >2.00E+5nMAssay Description:Inhibition of pig pepsin using WIPHPFHLVIHTC-MR121 as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed