BDBM50196749 CHEMBL394270::pyridin-4-ylmethyl (S)-1-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-ylamino)-3-(heptan-4-ylsulfonyl)-1-oxopropan-2-ylcarbamate

SMILES CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)OCc1ccncc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1

InChI Key InChIKey=UDWWUBBLCSIJEP-UHFFFAOYSA-N

Data  2 IC50  1 EC50

  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 3 hits for monomerid = 50196749   

TargetBeta-secretase 1(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50196749(pyridin-4-ylmethyl (S)-1-((2S,3R)-4-(3-ethylbenzyl...)
Affinity DataIC50: 3nMAssay Description:Inhibition of BACEMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50196749(pyridin-4-ylmethyl (S)-1-((2S,3R)-4-(3-ethylbenzyl...)
Affinity DataEC50:  5nMAssay Description:Inhibition of BACE expressed in HEK293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCathepsin B(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50196749(pyridin-4-ylmethyl (S)-1-((2S,3R)-4-(3-ethylbenzyl...)
Affinity DataIC50: 158nMAssay Description:Inhibition of cathepsin DMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed