BDBM50510976 CHEMBL4560579::US20160046618, Example 72

SMILES C[C@]1([C@@H]2C[C@@]2(SC(=N1)N)COC)c3cc(cc(c3F)F)NC(=O)c4cnc(cn4)OCC#C

InChI Key InChIKey=IPUJINDWAGRAHN-UHFFFAOYSA-N

Data  14 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50510976   

TargetBeta-secretase 1(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50510976(CHEMBL4560579 | US20160046618, Example 72)
Affinity DataIC50: 1.20nMAssay Description:Inhibition of BACE in HEK293 cells harboring APP Swedish mutant assessed as reduction in amyloid beta 40 level measured after overnight incubation by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50510976(CHEMBL4560579 | US20160046618, Example 72)
Affinity DataIC50: 6.90E+3nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50510976(CHEMBL4560579 | US20160046618, Example 72)
Affinity DataIC50: 0.400nMAssay Description:Inhibition of BACE1 (unknown origin) using FRET peptide substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr by FRE...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCathepsin D(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50510976(CHEMBL4560579 | US20160046618, Example 72)
Affinity DataIC50: 1.37E+5nMAssay Description:Inhibition of recombinant CatD (unknown origin) expressed in CHO cells using FRET peptide substrate preincubated for 1 hr followed by substrate addit...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetRenin(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50510976(CHEMBL4560579 | US20160046618, Example 72)
Affinity DataIC50: 6.78E+5nMAssay Description:Inhibition of renin (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50510976(CHEMBL4560579 | US20160046618, Example 72)
Affinity DataIC50: 2.70E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50510976(CHEMBL4560579 | US20160046618, Example 72)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetBeta-secretase 2(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50510976(CHEMBL4560579 | US20160046618, Example 72)
Affinity DataIC50: 19nMAssay Description:Inhibition of BACE2 (unknown origin) using FRET peptide substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr by FRE...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetBeta-secretase 2(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50510976(CHEMBL4560579 | US20160046618, Example 72)
Affinity DataIC50: 569nMAssay Description:Inhibition of recombinant human BACE2 expressed in HEK293 cells co-transfected with N-terminal HA-tagged/C-terminal Myc tagged Mbeta chain of human P...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetCathepsin E(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50510976(CHEMBL4560579 | US20160046618, Example 72)
Affinity DataIC50: 1.38E+6nMAssay Description:Inhibition of cathepsin E (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50510976(CHEMBL4560579 | US20160046618, Example 72)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50510976(CHEMBL4560579 | US20160046618, Example 72)
Affinity DataIC50: 0.440nMAssay Description:The cDNAs for both human recombinant BACE1 and BACE2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were sub...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/9/2025
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetBeta-secretase 2(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50510976(CHEMBL4560579 | US20160046618, Example 72)
Affinity DataIC50: 21.2nMAssay Description:The cDNAs for both human recombinant BACE1 and BACE2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were sub...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/9/2025
Entry Details
Go to US Patent

TargetCathepsin D(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50510976(CHEMBL4560579 | US20160046618, Example 72)
Affinity DataIC50: 8.16E+4nMAssay 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 Depth
Date in BDB:
4/9/2025
Entry Details
Go to US Patent