BDBM136800 US10231967, Example 48-Isomer-5::US8865911, 48 Isomer 2::US9918985, Example 48 Isomer 1

SMILES CC1=N[C@]2(C[C@H](Oc3ccc(cc23)-c2cccc(Cl)c2)[C@@H]2CCCOC2)N=C1N

InChI Key InChIKey=MWVBEWBNSOHPSD-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 136800   

TargetBeta-secretase 1(Human)
Astrazeneca

US Patent
LigandPNGBDBM136800(US8865911, 48 Isomer 2 | US10231967, Example 48-Is...)
Affinity DataIC50: 2.03E+3nMpH: 9.2Assay Description:The beta-secretase enzyme used in the TR-FRET is prepared as follows: The cDNA for the soluble part of the human beta-Secretase (AA 1-AA 460) was clo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/6/2015
Entry Details
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TargetAmyloid-beta precursor protein(Human)
Astrazeneca

US Patent
LigandPNGBDBM136800(US8865911, 48 Isomer 2 | US10231967, Example 48-Is...)
Affinity DataIC50: 3.57E+4nMAssay Description:The β-secretase enzyme used in the TR-FRET is prepared as follows: The cDNA for the soluble part of the human β-Secretase (AA 1-AA 460) was...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/27/2019
Entry Details
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TargetBeta-secretase 1 [1-460](Human)
Astrazeneca

US Patent
LigandPNGBDBM136800(US8865911, 48 Isomer 2 | US10231967, Example 48-Is...)
Affinity DataIC50: 0.700nMAssay Description:The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/4/2020
Entry Details
Go to US Patent