BDBM102944 US8541427, 15::US8541427, 206::US8541427, 44::US8541427, 45

SMILES COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1cc(F)ccc1F

InChI Key InChIKey=LKDWXLBCDHUZRF-UHFFFAOYSA-N

Data  5 KI  5 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 102944   

TargetCytochrome P450 3A4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM102944(US8541427, 44 | US8541427, 206 | US8541427, 45 | U...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using testosterone and midazolam as substrate preincubated for 30 mins followed substrate addition by ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2017
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM102944(US8541427, 44 | US8541427, 206 | US8541427, 45 | U...)
Affinity DataIC50: 28nMAssay Description:Inhibition of BACE1 in human HEK293 cells transfected with human APP Swe/Lon mutations assessed as amyloid beta 40 level after 4 hrs by electrochemil...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2017
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM102944(US8541427, 44 | US8541427, 206 | US8541427, 45 | U...)
Affinity DataKi:  6.10nM ΔG°:  -11.4kcal/mole IC50: 25nMT: 2°CAssay Description:A homogeneous time-resolved FRET assay was used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. The assay monit...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/26/2013
Entry Details
Go to US Patent

TargetBeta-secretase 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM102944(US8541427, 44 | US8541427, 206 | US8541427, 45 | U...)
Affinity DataKi:  7.30nM ΔG°:  -11.3kcal/mole IC50: 23nMT: 2°CAssay Description:A homogeneous time-resolved FRET assay was used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. The assay monit...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/26/2013
Entry Details
Go to US Patent

TargetBeta-secretase 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM102944(US8541427, 44 | US8541427, 206 | US8541427, 45 | U...)
Affinity DataKi:  8.5nM ΔG°:  -11.2kcal/mole IC50: 28nMT: 2°CAssay Description:A homogeneous time-resolved FRET assay was used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. The assay monit...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/26/2013
Entry Details
Go to US Patent

TargetBeta-secretase 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM102944(US8541427, 44 | US8541427, 206 | US8541427, 45 | U...)
Affinity DataKi:  8.5nMAssay Description:Inhibition of soluble human BACE1 (1 to 454) expressed in baculovirus infected insect Sf9 cells using EuK-KTEEISEVNLDAEFRHDKC-biotin as substrate pre...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/9/2015
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM102944(US8541427, 44 | US8541427, 206 | US8541427, 45 | U...)
Affinity DataKi:  9nMAssay Description:Inhibition of recombinant human BACE1 preincubated for 30 mins followed QSY7EISEVNLDAEFC-Eu-amide substrate addition measured after 90 mins by FRET a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2017
Entry Details Article
PubMed