BDBM50056919 3-hydroxy-4-(methoxycarbonyl)-2,5-dimethylphenyl 3-formyl-2,4-dihydroxy-6-methylbenzoate::ATRANORIN::CHEMBL173395::NSC-685591::methyl 1-(3-formyl-2,4-dihydroxy-6-methylphenylcarbonyloxy)-3-hydroxy-2,5-dimethyl-4-benzenecarboxylate

SMILES COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(O)c(C=O)c2O)c(C)c1O

InChI Key InChIKey=YLOYKYXNDHOHHT-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 = 50056919   

TargetIntegrase(Human immunodeficiency virus 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50056919(3-hydroxy-4-(methoxycarbonyl)-2,5-dimethylphenyl 3...)
Affinity DataIC50:  3.60E+4nMAssay Description:Inhibitory concentration of compound against strand transfer of HIV-1 integrase in experiment 1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50056919(3-hydroxy-4-(methoxycarbonyl)-2,5-dimethylphenyl 3...)
Affinity DataIC50:  6.10E+4nMAssay Description:Inhibitory concentration of compound against 3'-processing of HIV-1 integrase in experiment 1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50056919(3-hydroxy-4-(methoxycarbonyl)-2,5-dimethylphenyl 3...)
Affinity DataIC50:  6.24E+4nMAssay Description:Inhibitory concentration of compound against 3'-processing of HIV-1 integrase in experiment 2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin E synthase(Homo sapiens (Human))
Abdul Wali Khan University Mardan

Curated by ChEMBL
LigandPNGBDBM50056919(3-hydroxy-4-(methoxycarbonyl)-2,5-dimethylphenyl 3...)
Affinity DataIC50:  1.15E+3nMAssay Description:Inhibition of mPGES1 in human A549 cell microsomal membrane using pGH2 as substrate pretreated for 15 mins followed by substrate addition and measure...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50056919(3-hydroxy-4-(methoxycarbonyl)-2,5-dimethylphenyl 3...)
Affinity DataIC50:  4.40E+4nMAssay Description:Inhibitory concentration of compound against strand transfer of HIV-1 integrase in experiment 2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
Silla University

Curated by ChEMBL
LigandPNGBDBM50056919(3-hydroxy-4-(methoxycarbonyl)-2,5-dimethylphenyl 3...)
Affinity DataIC50:  6.35E+4nMAssay Description:Inhibition of PTP1BMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50056919(3-hydroxy-4-(methoxycarbonyl)-2,5-dimethylphenyl 3...)
Affinity DataIC50:  1.28E+5nMAssay Description:Inhibitory concentration of compound against disintegration (reversal of strand transfer)of HIV-1 integraseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed