BDBM50116913 (S)-4-(1-Furo[3,2-c]pyridin-2-yl-1-methyl-ethyl)-1-[(2S,4R)-2-hydroxy-4-((3S,4S)-3-hydroxy-chroman-4-ylcarbamoyl)-5-phenyl-pentyl]-piperazine-2-carboxylic acid tert-butylamide::CHEMBL312238

SMILES CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)C(C)(C)c1cc2cnccc2o1

InChI Key InChIKey=MUULRSITXOVVFK-WGAQAMEHSA-N

Data  4 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 4 hits for monomerid = 50116913   

TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50116913((S)-4-(1-Furo[3,2-c]pyridin-2-yl-1-methyl-ethyl)-1...)
Affinity DataIC50:  0.0750nMAssay Description:Inhibitory concentration required to inhibit cleavage of a substrate by the wild-type HIV-1 protease enzymeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50116913((S)-4-(1-Furo[3,2-c]pyridin-2-yl-1-methyl-ethyl)-1...)
Affinity DataIC50:  310nMAssay Description:Inhibition of cytochrome P450 3A4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50116913((S)-4-(1-Furo[3,2-c]pyridin-2-yl-1-methyl-ethyl)-1...)
Affinity DataIC50:  2.43E+3nMAssay Description:Inhibition of cytochrome P450 2D6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50116913((S)-4-(1-Furo[3,2-c]pyridin-2-yl-1-methyl-ethyl)-1...)
Affinity DataIC50:  0.0800nMAssay Description:Inhibitory concentration against wild-type HIV-1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed