BDBM50547435 CHEMBL4758823

SMILES CC1(C)C(=O)Nc2nc(nc(N)c12)-n1nc(CCC(F)(F)F)c2cc(Cl)ccc12

InChI Key InChIKey=RMQPTENEQUQKPM-UHFFFAOYSA-N

Data  4 IC50  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50547435   

LigandPNGBDBM50547435(CHEMBL4758823)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
LigandPNGBDBM50547435(CHEMBL4758823)
Affinity DataEC50:  8.70E+4nMAssay Description:Activation of human sGC subunit alpha1/beta1 expressed in CHO cells assessed as cGMP production by CASA assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50547435(CHEMBL4758823)
Affinity DataIC50:  7.00E+3nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50547435(CHEMBL4758823)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50547435(CHEMBL4758823)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
LigandPNGBDBM50547435(CHEMBL4758823)
Affinity DataEC50:  1.40E+3nMAssay Description:Activation of human sGC subunit alpha1/beta1 expressed in CHO cells assessed as cGMP production in presence of ODQ by CASA assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed