BDBM50519571 CHEMBL4454609

SMILES COc1cc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC1CC1)c1ccc(Cl)c2ccccc12

InChI Key InChIKey=GAJVRXZWMXIAIF-UHFFFAOYSA-N

Data  7 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 7 hits for monomerid = 50519571   

TargetLeukotriene C4 synthase(Human)
Orexo

Curated by ChEMBL
LigandPNGBDBM50519571(CHEMBL4454609)
Affinity DataIC50: 1.40nMAssay Description:Inhibition of human N-terminal His6-tagged LTC4S expressed in Pichia pastoris X33 using LTA4 methyl ester and glutathione as substrate preincubated f...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetLeukotriene C4 synthase(Human)
Orexo

Curated by ChEMBL
LigandPNGBDBM50519571(CHEMBL4454609)
Affinity DataIC50: 9.40nMAssay Description:Inhibition of LTC4S in zymosan-stimulated human PBMC assessed as inhibition of LTC4 production preincubated for 45 mins followed by zymosan stimulati...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 3A4(Human)
Orexo

Curated by ChEMBL
LigandPNGBDBM50519571(CHEMBL4454609)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of recombinant human CYP3A4 expressed in Escherichia coli using coumarin based substrate by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2C9(Human)
Orexo

Curated by ChEMBL
LigandPNGBDBM50519571(CHEMBL4454609)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of recombinant human CYP2C9 expressed in Escherichia coli using coumarin based substrate by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 1A2(Human)
Orexo

Curated by ChEMBL
LigandPNGBDBM50519571(CHEMBL4454609)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of recombinant human CYP1A2 using coumarin based substrate by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2C19(Human)
Orexo

Curated by ChEMBL
LigandPNGBDBM50519571(CHEMBL4454609)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of recombinant human CYP2C19 using coumarin based substrate by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2D6(Human)
Orexo

Curated by ChEMBL
LigandPNGBDBM50519571(CHEMBL4454609)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of recombinant human CYP2D6 using coumarin based substrate by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed