BDBM50355523 CHEMBL1910294

SMILES COCCCc1cc(CN(C2CC2)C(=O)C2CNCCC2(O)c2ccc(F)c(F)c2)cc(OCCOC)c1

InChI Key InChIKey=STXFMRGIISYYJC-UHFFFAOYSA-N

Data  1 KI  3 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 = 50355523   

TargetRenin(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50355523BDBM50355523(CHEMBL1910294)
Affinity DataIC50: 6.40nMAssay Description:Inhibition of human recombinant renin using DNP-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-D,L-Amp as Q-FRET substrate after 3 hrs by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/20/2012
Entry Details Article
PubMed
TargetRenin(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50355523BDBM50355523(CHEMBL1910294)
Affinity DataIC50: 42nMAssay Description:Inhibition of human recombinant renin in human plasma using QXL520-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-Lys-(5-FAM) as Q-FRET substrate after 1 hr by ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/20/2012
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50355523BDBM50355523(CHEMBL1910294)
Affinity DataIC50: 900nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/20/2012
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50355523BDBM50355523(CHEMBL1910294)
Affinity DataKi:  4.50E+3nMAssay Description:Binding affinity to human ERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/20/2012
Entry Details Article
PubMed