BDBM50522405 CHEMBL4452155

SMILES COC(=O)C1CCN(CC1)C(=O)c1ccc(CNC(=O)c2ccc3nc(N)sc3c2)cc1

InChI Key InChIKey=LUDBUNFYCFJHHY-UHFFFAOYSA-N

Data  6 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50522405   

TargetCytochrome P450 1A2(Homo sapiens (Human))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50522405(CHEMBL4452155)
Affinity DataIC50: >2.50E+4nMAssay Description:Inhibition of human CYP1A2 expressed in baculovirus infected insect cells using beetle D-luciferin as substrate preincubated for 30 mins followed by ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50522405(CHEMBL4452155)
Affinity DataIC50: >2.50E+4nMAssay Description:Inhibition of human CYP2C9 expressed in baculovirus infected insect cells using beetle D-luciferin as substrate preincubated for 30 mins followed by ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50522405(CHEMBL4452155)
Affinity DataIC50: >2.50E+4nMAssay Description:Inhibition of human CYP2D6 expressed in baculovirus infected insect cells using beetle D-luciferin as substrate preincubated for 30 mins followed by ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50522405(CHEMBL4452155)
Affinity DataIC50: >2.50E+4nMAssay Description:Inhibition of human CYP3A4 expressed in baculovirus infected insect cells using beetle D-luciferin as substrate preincubated for 30 mins followed by ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50522405(CHEMBL4452155)
Affinity DataIC50: <1.00E+4nMAssay Description:Displacement of Tracer Red from human ERG by fluorescence polarization assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
University of Modena and Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50522405(CHEMBL4452155)
Affinity DataIC50: >2.50E+4nMAssay Description:Inhibition of human CYP2C19 expressed in baculovirus infected insect cells using beetle D-luciferin as substrate preincubated for 30 mins followed by...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed