BDBM50078060 CHEMBL3417511

SMILES CC(C)(O)Cn1cc(cn1)-c1nc(no1)C1(CCC1)c1ccc(cc1)-c1cnc(N)nc1

InChI Key InChIKey=YMEFXAYUHCDQHO-UHFFFAOYSA-N

Data  7 IC50

  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 7 hits for monomerid = 50078060   

TargetArachidonate 5-lipoxygenase-activating protein(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50078060(CHEMBL3417511)
Affinity DataIC50:  69nMAssay Description:Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as inhibition of LTB4 synthesis preincubated for 15 mins followed by calcimyci...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50078060(CHEMBL3417511)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 10 mins followed by NADPH addition measured after 6 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetArachidonate 5-lipoxygenase-activating protein(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50078060(CHEMBL3417511)
Affinity DataIC50:  3.5nMAssay Description:Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetArachidonate 5-lipoxygenase-activating protein(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50078060(CHEMBL3417511)
Affinity DataIC50:  3.5nMAssay Description:Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as reduction in LTB4 production pretreated for 15 mins followed by calcimycin ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50078060(CHEMBL3417511)
Affinity DataIC50:  3.00E+3nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 10 mins followed by NADPH addition measured after...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetArachidonate 5-lipoxygenase-activating protein(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50078060(CHEMBL3417511)
Affinity DataIC50:  69nMAssay Description:Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as reduction in LTB4 production pretreated for 15 mins followed by calcimycin ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50078060(CHEMBL3417511)
Affinity DataIC50:  6.00E+3nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using dichlofenac as substrate preincubated for 10 mins followed by NADPH addition measured after 6 mi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed