BDBM50166863 CHEMBL3799529

SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCNCC1)-c1ccc(cc1)C(F)(F)F

InChI Key InChIKey=CRZWHAXESOORIJ-UHFFFAOYSA-N

Data  2 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 5 hits for monomerid = 50166863   

TargetCytochrome P450 3A4(Human)
Selvita

Curated by ChEMBL
LigandPNGBDBM50166863(CHEMBL3799529)
Affinity DataIC50: 1.10E+3nMAssay Description:Inhibition of human recombinant CYP3A4 using 7-benzyloxy-trifluoromethylcoumarin as substrate incubated for 30 mins by fluorescence analysis in prese...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2017
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Selvita

Curated by ChEMBL
LigandPNGBDBM50166863(CHEMBL3799529)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human recombinant CYP2D6 using AMMC as substrate incubated for 45 mins by fluorescence analysis in presence of NADPHMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2017
Entry Details Article
PubMed
LigandPNGBDBM50166863(CHEMBL3799529)
Affinity DataIC50: 1.40E+3nMAssay Description:Inhibition of human ERG1 expressed in CHO cells by whole cell patch clamp electrophysiology methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2017
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 6(Human)
Selvita

Curated by ChEMBL
LigandPNGBDBM50166863(CHEMBL3799529)
Affinity DataKi:  3nMAssay Description:Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2017
Entry Details Article
PubMed
TargetD(2) dopamine receptor(Human)
Selvita

Curated by ChEMBL
LigandPNGBDBM50166863(CHEMBL3799529)
Affinity DataKi:  1.70E+3nMAssay Description:Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2017
Entry Details Article
PubMed