BDBM50196833 CHEMBL3949677

SMILES Cc1nnc(C)n1-c1ccc(O[C@@H]2[C@H](Cc3c2cc(Cl)cc3Cl)N2CC[C@@H](O)C2)c(F)c1

InChI Key InChIKey=XMPNZDWSSQEZEJ-UHFFFAOYSA-N

Data  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 3 hits for monomerid = 50196833   

TargetCytochrome P450 2D6(Human)
Sanofi-Aventis Deutschland

Curated by ChEMBL
LigandPNGBDBM50196833(CHEMBL3949677)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2D6 in pooled human hepatic microsomes using dextromethorphan substrate in presence of NADPHMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/13/2018
Entry Details Article
PubMed
TargetSodium/hydrogen exchanger 3(Human)
Sanofi-Aventis Deutschland

Curated by ChEMBL
LigandPNGBDBM50196833(CHEMBL3949677)
Affinity DataIC50: 34nMAssay Description:Inhibition of human NHE3 expressed in LAP1 cell assessed as intracellular pH recovery measured for 2 mins by CECF-AM dye based FLIPR assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/13/2018
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Sanofi-Aventis Deutschland

Curated by ChEMBL
LigandPNGBDBM50196833(CHEMBL3949677)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP3A4 in pooled human hepatic microsomes using testosterone substrate in presence of NADPHMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/13/2018
Entry Details Article
PubMed