BDBM41536 US8865706, 15

SMILES Cn1cc(cn1)[C@H]2C[C@H]3CSC(=N[C@]3(CO2)c4ccc(cc4F)F)N

InChI Key InChIKey=JYDYMWJEZLKIBS-UHFFFAOYSA-N

Data  10 IC50

PDB links: 2 PDB IDs match this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 41536   

TargetBeta-secretase 1(Human)
Pfizer

US Patent
LigandPNGBDBM41536(US8865706, 15)
Affinity DataIC50: 39.8nMAssay Description:Beta-secretase (BACE) is one of the enzymes involved in the generation of the amyloid beta peptide found in the amyloid plaques of Alzheimer's Diseas...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/6/2015
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetBeta-secretase 1(Human)
Pfizer

US Patent
LigandPNGBDBM41536(US8865706, 15)
Affinity DataIC50: 52nMAssay Description:Inhibition of BACE1 in human H4 cells overexpressing wild type human APP695 assessed as colorimetric reaction by Whole cell assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 1A2(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM41536(US8865706, 15)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2016
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM41536(US8865706, 15)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2016
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM41536(US8865706, 15)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2016
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM41536(US8865706, 15)
Affinity DataIC50: 4.90E+3nMAssay Description:Inhibition of human ERG expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2016
Entry Details Article
PubMed
TargetCathepsin D(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM41536(US8865706, 15)
Affinity DataIC50: 1.31E+4nMAssay Description:Inhibition of CatD (unknown origin) assessed as fluorescence polarization by cell free assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2016
Entry Details Article
PubMed
TargetCytochrome P450 2C8(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM41536(US8865706, 15)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2C8 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2016
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM41536(US8865706, 15)
Affinity DataIC50: 1.39E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBeta-secretase 1(Human)
Pfizer

US Patent
LigandPNGBDBM41536(US8865706, 15)
Affinity DataIC50: 4nMAssay Description:Inhibition of BACE1 (unknown origin) using Biotin-GLTNIKTEEISEISYEVEFR-C[oregon green]KK-OH substrate assessed as fluorescence polarization by cell f...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)