BDBM50443344 CHEMBL3086045

SMILES Cc1ccccc1[C@H]1C[C@H](CC[C@@H]1C(=O)N1CC(C1)(c1ccccc1)c1ccccc1)NCc1ccc(Cl)cc1

InChI Key InChIKey=IIXUBHOQXODODU-UHFFFAOYSA-N

Data  5 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 6 hits for monomerid = 50443344   

TargetNuclear receptor subfamily 1 group I member 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50443344(CHEMBL3086045)
Affinity DataEC50: >1.50E+4nMAssay Description:Agonist activity at human PXRMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50443344(CHEMBL3086045)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50443344(CHEMBL3086045)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMed
TargetLysosomal Pro-X carboxypeptidase(Mouse)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50443344(CHEMBL3086045)
Affinity DataIC50: 1.40nMAssay Description:Inhibition of recombinant mouse PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate measured for 30 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMed
TargetLysosomal Pro-X carboxypeptidase(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50443344(CHEMBL3086045)
Affinity DataIC50: 192nMAssay Description:Inhibition of recombinant human PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate measured for 30 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMed
TargetLysosomal Pro-X carboxypeptidase(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50443344(CHEMBL3086045)
Affinity DataIC50: 192nMAssay Description:Inhibition of recombinant human PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate measured for 30 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMed