BDBM50090910 3alpha,16,17,18-tetrahydroxyaphidicolone::6,13-di(hydroxymethyl)-2,6-dimethyl-(1S,2S,5R,6R,7R)-tetracyclo[10.3.1.01,10.02,7]hexadecane-5,13-diol::6,13-di(hydroxymethyl)-2,6-dimethyl-(1S,2S,5R,6R,7R,10S,12R,13R)-tetracyclo[10.3.1.01,10.02,7]hexadecane-5,13-diol (Aphidicolin)::6,13-di(hydroxymethyl)-2,6-dimethyl-(1S,2S,5R,6R,7R,10S,12R,13R)-tetracyclo[10.3.1.01,10.02,7]hexadecane-5,13-diol(Aphidicolin)::CHEMBL29711::aphidicholin::aphidicolin::cid_457964

SMILES C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1C[C@@H]3C[C@]21CC[C@]3(O)CO

InChI Key InChIKey=NOFOAYPPHIUXJR-UHFFFAOYSA-N

Data  23 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 50090910   

TargetDNA polymerase catalytic subunit(HHV-3)
Pharmacia

Curated by ChEMBL
LigandPNGBDBM50090910(6,13-di(hydroxymethyl)-2,6-dimethyl-(1S,2S,5R,6R,7...)
Affinity DataIC50: 600nMpH: 7.5Assay Description:Inhibition of Varicella-Zoster virus DNA polymerase (95 uL) activity in a solution containing 6.4 mM HEPES (pH 7.5), incubation for 12 minutes at 26 ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDNA polymerase alpha catalytic subunit(Human)
Emory University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50090910(6,13-di(hydroxymethyl)-2,6-dimethyl-(1S,2S,5R,6R,7...)
Affinity DataIC50: 4.30E+3nMAssay Description:Inhibition of human DNA polymerase alpha using 5-end radiolabeled 24nt to 48nt DNA as primer template after 5 mins in presence of dCTP/dGTP/dTTP/dATP...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetDNA polymerase alpha catalytic subunit(Human)
Emory University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50090910(6,13-di(hydroxymethyl)-2,6-dimethyl-(1S,2S,5R,6R,7...)
Affinity DataIC50: 4.30E+3nMAssay Description:Inhibition of human DNA polymerase alpha using 5-end radiolabeled 24nt to 48nt DNA as primer template after 5 mins in presence of dCTP/dGTP/dTTP/dATP...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetDNA polymerase alpha catalytic subunit(Human)
Emory University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50090910(6,13-di(hydroxymethyl)-2,6-dimethyl-(1S,2S,5R,6R,7...)
Affinity DataIC50: 2.40E+3nMAssay Description:Inhibition of human DNA polymerase alpha using 5' end radiolabeled 24nt DNA/48nt DNA as primer/template after 5 mins by PAGE analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetDNA polymerase catalytic subunit(HHV-1)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50090910(6,13-di(hydroxymethyl)-2,6-dimethyl-(1S,2S,5R,6R,7...)
Affinity DataIC50: 438nMAssay Description:Inhibition of HSV1 DNA polymerase by scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDNA polymerase lambda(Human)
Kobe Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50090910(6,13-di(hydroxymethyl)-2,6-dimethyl-(1S,2S,5R,6R,7...)
Affinity DataIC50: 2.00E+5nMAssay Description:Inhibition of recombinant human His-tagged DNA polymerase lambda assessed as reduction in [3H]dTTP incorporation using poly(dA)/oligo(dT)18 as templa...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDNA polymerase catalytic subunit(HHV-5)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50090910(6,13-di(hydroxymethyl)-2,6-dimethyl-(1S,2S,5R,6R,7...)
Affinity DataIC50: 487nMAssay Description:Inhibition of HCMV DNA polymerase by scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDNA polymerase alpha catalytic subunit(Human)
Emory University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50090910(6,13-di(hydroxymethyl)-2,6-dimethyl-(1S,2S,5R,6R,7...)
Affinity DataEC50:  2.00E+3nMAssay Description:Effective concentration against DNA polymerase alphaMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetDNA polymerase subunit gamma-1(Human)
Pharmasset

Curated by ChEMBL
LigandPNGBDBM50090910(6,13-di(hydroxymethyl)-2,6-dimethyl-(1S,2S,5R,6R,7...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human DNA polymerase gamma assessed as incorporation of [alpha-32P]dCTP up to 1mM preincubated for 30 mins by whatman DE81 paper bindin...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDNA polymerase beta(Human)
Pharmasset

Curated by ChEMBL
LigandPNGBDBM50090910(6,13-di(hydroxymethyl)-2,6-dimethyl-(1S,2S,5R,6R,7...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human DNA polymerase beta assessed as incorporation of [alpha-32P]dCTP up to 1mM preincubated for 30 mins by whatman DE81 paper binding...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDNA polymerase alpha catalytic subunit(Human)
Emory University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50090910(6,13-di(hydroxymethyl)-2,6-dimethyl-(1S,2S,5R,6R,7...)
Affinity DataIC50: 1.60E+4nMAssay Description:Inhibition of human DNA polymerase alpha assessed as incorporation of [alpha-32P]dCTP up to 1mM preincubated for 30 mins by whatman DE81 paper bindin...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetDNA polymerase alpha catalytic subunit(Human)
Emory University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50090910(6,13-di(hydroxymethyl)-2,6-dimethyl-(1S,2S,5R,6R,7...)
Affinity DataIC50: 2.60E+3nMAssay Description:Inhibition of human DNA polymerase alphaMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetIsoform 2 of Nuclear receptor ROR-alpha (Alpha-2)(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50090910(6,13-di(hydroxymethyl)-2,6-dimethyl-(1S,2S,5R,6R,7...)
Affinity DataIC50: 758nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetDNA polymerase catalytic subunit(HHV-3)
Pharmacia

Curated by ChEMBL
LigandPNGBDBM50090910(6,13-di(hydroxymethyl)-2,6-dimethyl-(1S,2S,5R,6R,7...)
Affinity DataIC50: 600nMpH: 7.5Assay Description:Inhibition of Varicella-Zoster virus DNA polymerase (95 uL) activity in a solution containing 6.4 mM HEPES (pH 7.5), incubation for 12 minutes at 26 ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDNA polymerase alpha catalytic subunit(Human)
Emory University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50090910(6,13-di(hydroxymethyl)-2,6-dimethyl-(1S,2S,5R,6R,7...)
Affinity DataIC50: 2.60E+3nMpH: 7.5Assay Description:Inhibition of human alpha DNA polymerase (95 uL) activity in a solution containg 6.4 mM HEPES (pH 7.5) upon incubation for 12 minutes at 26 degrees C...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetDNA polymerase delta catalytic subunit(Human)
Pharmacia

Curated by ChEMBL
LigandPNGBDBM50090910(6,13-di(hydroxymethyl)-2,6-dimethyl-(1S,2S,5R,6R,7...)
Affinity DataIC50: 4.00E+4nMpH: 7.5Assay Description:Inhibition of human delta DNA polymerase (95 uL) activity in a solution containg 6.4 mM HEPES (pH 7.5) upon incubation for 12 minutes at 26 degrees C...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDNA polymerase catalytic subunit(HHV-1)
Pharmacia

Curated by ChEMBL
LigandPNGBDBM50090910(6,13-di(hydroxymethyl)-2,6-dimethyl-(1S,2S,5R,6R,7...)
Affinity DataIC50: 500nMpH: 7.5Assay Description:Inhibition of herpes simplex virus type 1 DNA polymerase (95 uL) activity in a solution containing 6.4 mM HEPES (pH 7.5), incubation for 12 minutes a...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDNA polymerase catalytic subunit(HHV-5)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50090910(6,13-di(hydroxymethyl)-2,6-dimethyl-(1S,2S,5R,6R,7...)
Affinity DataIC50: 400nMpH: 7.5Assay Description:Inhibition of human cytomegalovirus DNA polymerase (95 uL) activity in a solution containing 6.4 mM HEPES (pH 7.5), incubation for 12 minutes at 26 d...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDNA polymerase alpha catalytic subunit(Human)
Emory University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50090910(6,13-di(hydroxymethyl)-2,6-dimethyl-(1S,2S,5R,6R,7...)
Affinity DataIC50: 3.00E+3nMAssay Description:Compound was evaluated for the inhibitory activity against Human alpha polymeraseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetDNA polymerase catalytic subunit(HHV-6 variant A)
Pharmacia

Curated by ChEMBL
LigandPNGBDBM50090910(6,13-di(hydroxymethyl)-2,6-dimethyl-(1S,2S,5R,6R,7...)
Affinity DataIC50: 400nMAssay Description:Inhibitory activity against Human Cytomegalovirus (HCMV) polymeraseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDNA polymerase beta(Rat)
Kobe Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50090910(6,13-di(hydroxymethyl)-2,6-dimethyl-(1S,2S,5R,6R,7...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of rat recombinant DNA polymerase beta expressed in Escherichia coli JMpbeta5 cells assessed as incorporation of [3H]dTTP into poly(dA)/ol...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSteroidogenic factor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50090910(6,13-di(hydroxymethyl)-2,6-dimethyl-(1S,2S,5R,6R,7...)
Affinity DataIC50: 550nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetIsoform 2 of Nuclear receptor ROR-alpha (Alpha-2)(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50090910(6,13-di(hydroxymethyl)-2,6-dimethyl-(1S,2S,5R,6R,7...)
Affinity DataIC50: 464nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetSteroidogenic factor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50090910(6,13-di(hydroxymethyl)-2,6-dimethyl-(1S,2S,5R,6R,7...)
Affinity DataIC50: 519nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay