BDBM50196751 CHEMBL231862::N-((S)-1-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-ylamino)-3-(heptan-4-ylsulfonyl)-1-oxopropan-2-yl)nicotinamide

SMILES CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1cccnc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1

InChI Key InChIKey=AHRNMDRWMJFRTC-WIHCDAFUSA-N

Data  2 IC50  1 EC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50196751   

TargetBeta-secretase 1(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50196751(CHEMBL231862 | N-((S)-1-((2S,3R)-4-(3-ethylbenzyla...)
Affinity DataEC50:  1nMAssay Description:Inhibition of BACE expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin B(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50196751(CHEMBL231862 | N-((S)-1-((2S,3R)-4-(3-ethylbenzyla...)
Affinity DataIC50:  186nMAssay Description:Inhibition of cathepsin DMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50196751(CHEMBL231862 | N-((S)-1-((2S,3R)-4-(3-ethylbenzyla...)
Affinity DataIC50:  1nMAssay Description:Inhibition of BACEMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed