BDBM50457695 CHEMBL4217712

SMILES Cc1cc(ccn1)-n1cc2CN(Cc2n1)C(=O)c1cc(ccc1N1CCC(F)(F)CC1)S(C)(=O)=O

InChI Key InChIKey=UVGRMAGENRJKRM-UHFFFAOYSA-N

Data  10 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 10 hits for monomerid = 50457695   

TargetCytochrome P450 2D6(Human)
Dart Neuroscience

Curated by ChEMBL
LigandPNGBDBM50457695(CHEMBL4217712)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate measured after 10 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Dart Neuroscience

Curated by ChEMBL
LigandPNGBDBM50457695(CHEMBL4217712)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of human ERG expressed in CHO cells at 10 nM to 10 uM at holding potential of -80 mV measured after 5 mins by QPatch automated patch clamp...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetSodium- and chloride-dependent glycine transporter 2(Human)
Dart Neuroscience

Curated by ChEMBL
LigandPNGBDBM50457695(CHEMBL4217712)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of recombinant human GlyT2 expressed in HEK293 cells assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation c...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Human)
Dart Neuroscience

Curated by ChEMBL
LigandPNGBDBM50457695(CHEMBL4217712)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate measured after 10 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Human)
Dart Neuroscience

Curated by ChEMBL
LigandPNGBDBM50457695(CHEMBL4217712)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate measured after 10 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Human)
Dart Neuroscience

Curated by ChEMBL
LigandPNGBDBM50457695(CHEMBL4217712)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate measured after 7 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A5(Human)
Dart Neuroscience

Curated by ChEMBL
LigandPNGBDBM50457695(CHEMBL4217712)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP3A5 in human liver microsomes using midazolam as substrate measured after 10 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetSodium- and chloride-dependent glycine transporter 1(Human)
Dart Neuroscience

Curated by ChEMBL
LigandPNGBDBM50457695(CHEMBL4217712)
Affinity DataIC50:  7nMAssay Description:Inhibition of recombinant human GlyT1c expressed in HEK293 cells assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetSodium- and chloride-dependent glycine transporter 1(Rat)
Dart Neuroscience

Curated by ChEMBL
LigandPNGBDBM50457695(CHEMBL4217712)
Affinity DataIC50:  4nMAssay Description:Inhibition of GlyT1 in primary rat cortical neurons assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation counting meth...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Human)
Dart Neuroscience

Curated by ChEMBL
LigandPNGBDBM50457695(CHEMBL4217712)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate measured after 10 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed