BDBM50379156 CHEMBL2012958::Genz-669178

SMILES Cc1nc2c(cccc2n1-c1ccc(s1)C(=O)NC1CC1)C#N

InChI Key InChIKey=XRXYHTFKWSMTFI-UHFFFAOYSA-N

Data  8 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 8 hits for monomerid = 50379156   

TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Plasmodium falciparum (isolate 3D7))
Harvard School Of Public Health

LigandPNGBDBM50379156(CHEMBL2012958 | Genz-669178)
Affinity DataIC50:  80nMAssay Description:Substrate-dependent inhibition of recombinant PfDHODH protein was assessed in an in vitro assay in 384-well clear plates (Corning 3702) as described ...More data for this Ligand-Target Pair
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Homo sapiens (Human))
Harvard School Of Public Health

LigandPNGBDBM50379156(CHEMBL2012958 | Genz-669178)
Affinity DataIC50: >3.00E+4nMAssay Description:Substrate-dependent inhibition of recombinant PfDHODH protein was assessed in an in vitro assay in 384-well clear plates (Corning 3702) as described ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50379156(CHEMBL2012958 | Genz-669178)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of human CYP1A2 using phenacetin as substrate after 10 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50379156(CHEMBL2012958 | Genz-669178)
Affinity DataIC50:  5.30E+4nMAssay Description:Inhibition of human ERG expressed in CHOK1 cells by whole cell voltage clamp assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50379156(CHEMBL2012958 | Genz-669178)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of human CYP2C19 using S-mephenytoin as substrate after 45 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50379156(CHEMBL2012958 | Genz-669178)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of human CYP3A4 using midazolam as substrate after 5 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50379156(CHEMBL2012958 | Genz-669178)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of human CYP2D6 using bufuralol as substrate after 10 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50379156(CHEMBL2012958 | Genz-669178)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of human CYP2C9 using diclofenac as substrate after 10 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed