BDBM404041 US10336717, Compound 333::US10336717, Compound 334::US10336717, Compound 335::US10336717, Compound 336::US10336717, Compound 337

SMILES COC1CCC2(Cc3ccc(cc3C22N=C(SCC3CCCO3)N(CC3CCCO3)C2=O)C#CC2CC2)CC1

InChI Key InChIKey=LNXYUNBLWKXXBO-UHFFFAOYSA-N

Data  5 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 404041   

TargetBeta-secretase 1(Human)
Vitae Pharmaceuticals

US Patent
LigandPNGBDBM404041(US10336717, Compound 334 | US10336717, Compound 33...)
Affinity DataIC50: 11.6nMAssay Description:For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/31/2020
Entry Details
Go to US Patent

TargetBeta-secretase 1(Human)
Vitae Pharmaceuticals

US Patent
LigandPNGBDBM404041(US10336717, Compound 334 | US10336717, Compound 33...)
Affinity DataIC50: 1.70nMAssay Description:For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/31/2020
Entry Details
Go to US Patent

TargetBeta-secretase 1(Human)
Vitae Pharmaceuticals

US Patent
LigandPNGBDBM404041(US10336717, Compound 334 | US10336717, Compound 33...)
Affinity DataIC50: 2.20nMAssay Description:For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/31/2020
Entry Details
Go to US Patent

TargetBeta-secretase 1(Human)
Vitae Pharmaceuticals

US Patent
LigandPNGBDBM404041(US10336717, Compound 334 | US10336717, Compound 33...)
Affinity DataIC50: 207nMAssay Description:For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/31/2020
Entry Details
Go to US Patent

TargetBeta-secretase 1(Human)
Vitae Pharmaceuticals

US Patent
LigandPNGBDBM404041(US10336717, Compound 334 | US10336717, Compound 33...)
Affinity DataIC50: 262nMAssay Description:For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/31/2020
Entry Details
Go to US Patent