BDBM50111469 3-(3,5-dimethyl-4-(3-(3-methylisoxazol-5-yl)propoxy)phenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole::3-{3,5-Dimethyl-4-[3-(3-methyl-isoxazol-5-yl)-propoxy]-phenyl}-5-trifluoromethyl-[1,2,4]oxadiazole::3-{3,5-Dimethyl-4-[3-(3-methyl-isoxazol-5-yl)-propoxy]-phenyl}-5-trifluoromethyl-[1,2,4]oxadiazole(Pleconaril)::5-[3-[2,6-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propyl]-3-methylisoxazole::CHEMBL29609::Pleconaril::Pleconaril3-{3,5-Dimethyl-4-[3-(3-methyl-isoxazol-5-yl)-propoxy]-phenyl}-5-trifluoromethyl-[1,2,4]oxadiazole

SMILES Cc1cc(CCCOc2c(C)cc(cc2C)-c2noc(n2)C(F)(F)F)on1

InChI Key InChIKey=KQOXLKOJHVFTRN-UHFFFAOYSA-N

Data  10 IC50  11 EC50

PDB links: 9 PDB IDs match this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50111469   

TargetGenome polyprotein(Human rhinovirus B)
Agouron Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50111469(3-(3,5-dimethyl-4-(3-(3-methylisoxazol-5-yl)propox...)
Affinity DataEC50:  58nMAssay Description:Inhibition of HRV Protease 3CP (serotype 14).More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGenome polyprotein(Human enterovirus 71 (strain BrCr) (Ev 71))
Wuxi Apptec (Shanghai)

Curated by ChEMBL
LigandPNGBDBM50111469(3-(3,5-dimethyl-4-(3-(3-methylisoxazol-5-yl)propox...)
Affinity DataEC50: >1.00E+5nMAssay Description:Inhibition of Enterovirus 71 Shenzhen/120F1/09 capsid infected in human RD cells assessed as reduction in virus-induced cell death after 72 hrs by CC...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50111469(3-(3,5-dimethyl-4-(3-(3-methylisoxazol-5-yl)propox...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50111469(3-(3,5-dimethyl-4-(3-(3-methylisoxazol-5-yl)propox...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP2C19More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50111469(3-(3,5-dimethyl-4-(3-(3-methylisoxazol-5-yl)propox...)
Affinity DataIC50:  6.31E+3nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50111469(3-(3,5-dimethyl-4-(3-(3-methylisoxazol-5-yl)propox...)
Affinity DataIC50: >5.01E+4nMAssay Description:Time dependent inhibition of CYP1A2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50111469(3-(3,5-dimethyl-4-(3-(3-methylisoxazol-5-yl)propox...)
Affinity DataIC50: >5.01E+4nMAssay Description:Time dependent inhibition of CYP2C9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50111469(3-(3,5-dimethyl-4-(3-(3-methylisoxazol-5-yl)propox...)
Affinity DataIC50: >5.01E+4nMAssay Description:Time dependent inhibition of CYP2C19More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50111469(3-(3,5-dimethyl-4-(3-(3-methylisoxazol-5-yl)propox...)
Affinity DataIC50: >5.01E+4nMAssay Description:Time dependent inhibition of CYP3A4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50111469(3-(3,5-dimethyl-4-(3-(3-methylisoxazol-5-yl)propox...)
Affinity DataEC50:  251nMAssay Description:Activation of human PXR expressed in african green monkey CV1 cells transfected with pSG5-hPXRDATG and (ER6)3-tk-CAT reporterMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50111469(3-(3,5-dimethyl-4-(3-(3-methylisoxazol-5-yl)propox...)
Affinity DataIC50:  1.26E+3nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50111469(3-(3,5-dimethyl-4-(3-(3-methylisoxazol-5-yl)propox...)
Affinity DataIC50: >5.01E+4nMAssay Description:Time dependent inhibition of CYP2D6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGenome polyprotein(Human rhinovirus 1A)
Umr 7273 Cnrs

Curated by ChEMBL
LigandPNGBDBM50111469(3-(3,5-dimethyl-4-(3-(3-methylisoxazol-5-yl)propox...)
Affinity DataEC50:  4nMAssay Description:Inhibition of Rhinovirus A89 capsid infected in human HeLa Rh cells assessed as reduction in virus-induced cytopathic effect after 3 days by MTS assa...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGenome polyprotein(Human rhinovirus 1A)
Umr 7273 Cnrs

Curated by ChEMBL
LigandPNGBDBM50111469(3-(3,5-dimethyl-4-(3-(3-methylisoxazol-5-yl)propox...)
Affinity DataEC50:  30nMAssay Description:Inhibition of Rhinovirus B14 capsid infected in human HeLa Rh cells assessed as reduction in virus-induced cytopathic effect after 3 days by MTS assa...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGenome polyprotein(Human rhinovirus 1A)
Umr 7273 Cnrs

Curated by ChEMBL
LigandPNGBDBM50111469(3-(3,5-dimethyl-4-(3-(3-methylisoxazol-5-yl)propox...)
Affinity DataEC50:  490nMAssay Description:Inhibition of Rhinovirus A08 capsid infected in human HeLa Rh cells assessed as reduction in virus-induced cytopathic effect after 3 days by MTS assa...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGenome polyprotein(Human rhinovirus 1A)
Umr 7273 Cnrs

Curated by ChEMBL
LigandPNGBDBM50111469(3-(3,5-dimethyl-4-(3-(3-methylisoxazol-5-yl)propox...)
Affinity DataEC50:  11nMAssay Description:Inhibition of Rhinovirus A85 capsid infected in human HeLa Rh cells assessed as reduction in virus-induced cytopathic effect after 3 days by MTS assa...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGenome polyprotein(Human rhinovirus 1A)
Umr 7273 Cnrs

Curated by ChEMBL
LigandPNGBDBM50111469(3-(3,5-dimethyl-4-(3-(3-methylisoxazol-5-yl)propox...)
Affinity DataEC50:  167nMAssay Description:Inhibition of Rhinovirus B70 capsid infected in human HeLa Rh cells assessed as reduction in virus-induced cytopathic effect after 3 days by MTS assa...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGenome polyprotein(Human rhinovirus 1A)
Umr 7273 Cnrs

Curated by ChEMBL
LigandPNGBDBM50111469(3-(3,5-dimethyl-4-(3-(3-methylisoxazol-5-yl)propox...)
Affinity DataEC50:  15nMAssay Description:Inhibition of Rhinovirus A28 capsid infected in human HeLa Rh cells assessed as reduction in virus-induced cytopathic effect after 3 days by MTS assa...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGenome polyprotein(Human rhinovirus 1A)
Umr 7273 Cnrs

Curated by ChEMBL
LigandPNGBDBM50111469(3-(3,5-dimethyl-4-(3-(3-methylisoxazol-5-yl)propox...)
Affinity DataEC50: >1.28E+5nMAssay Description:Inhibition of Rhinovirus B42 capsid infected in human HeLa Rh cells assessed as reduction in virus-induced cytopathic effect after 3 days by MTS assa...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGenome polyprotein(Human rhinovirus 1A)
Umr 7273 Cnrs

Curated by ChEMBL
LigandPNGBDBM50111469(3-(3,5-dimethyl-4-(3-(3-methylisoxazol-5-yl)propox...)
Affinity DataEC50:  15nMAssay Description:Inhibition of Rhinovirus A02 capsid infected in human HeLa Rh cells assessed as reduction in virus-induced cytopathic effect after 3 days by MTS assa...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50111469(3-(3,5-dimethyl-4-(3-(3-methylisoxazol-5-yl)propox...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP1A2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed