BDBM15361 (1aR,2Z,4E,14R,15aR)-8-chloro-9,11-dihydroxy-14-methyl-1a,14,15,15a-tetrahydro-6H-oxireno[e][2]benzoxacyclotetradecine-6,12(7H)-dione::(4R,6R,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.0^{6,8}]nonadeca-1(19),9,11,15,17-pentaene-2,13-dione::CHEMBL414883::Microlactone, 1::Monorden::Radicicol

SMILES [H][C@@]12C[C@@H](C)OC(=O)c3c(O)cc(O)c(Cl)c3CC(=O)C=CC=C[C@@]1([H])O2

InChI Key InChIKey=WYZWZEOGROVVHK-DFKRKDTASA-N

Data  2 KI  6 IC50

PDB links: 9 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 15361   

TargetATP-citrate synthase(Rat)
Wayne State University

Curated by ChEMBL
LigandPNGBDBM15361((1aR,2Z,4E,14R,15aR)-8-chloro-9,11-dihydroxy-14-me...)
Affinity DataKi:  7.00E+3nMAssay Description:Competitive inhibition of rat liver ACLY using ATP as substrate by spectrophotometric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-citrate synthase(Rat)
Wayne State University

Curated by ChEMBL
LigandPNGBDBM15361((1aR,2Z,4E,14R,15aR)-8-chloro-9,11-dihydroxy-14-me...)
Affinity DataKi:  1.30E+4nMAssay Description:Competitive inhibition of rat liver ACLY using citrate as substrate by spectrophotometric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-beta(Human)
Vernalis (R&D)

LigandPNGBDBM15361((1aR,2Z,4E,14R,15aR)-8-chloro-9,11-dihydroxy-14-me...)
Affinity DataIC50:  150nMpH: 7.4 T: 22°CAssay Description:The assay is based upon displacement of a fluorescently labeled molecule, which binds specifically to the ATP-binding site of full-length human Hsp90...More data for this Ligand-Target Pair
TargetATP-dependent molecular chaperone HSP82(Baker's yeast)
University of Nottingham

LigandPNGBDBM15361((1aR,2Z,4E,14R,15aR)-8-chloro-9,11-dihydroxy-14-me...)
Affinity DataIC50:  47nMAssay Description:Binding competition assay with a fluorescent probe.More data for this Ligand-Target Pair
TargetATP-dependent molecular chaperone HSP82(Baker's yeast)
University of Nottingham

LigandPNGBDBM15361((1aR,2Z,4E,14R,15aR)-8-chloro-9,11-dihydroxy-14-me...)
Affinity DataIC50:  30nMAssay Description:Binding competition assay with a fluorescent probe.More data for this Ligand-Target Pair
TargetATP-dependent molecular chaperone HSP82(Baker's yeast)
University of Nottingham

LigandPNGBDBM15361((1aR,2Z,4E,14R,15aR)-8-chloro-9,11-dihydroxy-14-me...)
Affinity DataIC50: <200nMpH: 7.4 T: 37°CAssay Description:The HSP90 ATPase activity was determined by following the procedure of malachite green assay. The assay is based on quantitation of the green complex...More data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-beta(Human)
Vernalis (R&D)

LigandPNGBDBM15361((1aR,2Z,4E,14R,15aR)-8-chloro-9,11-dihydroxy-14-me...)
Affinity DataIC50:  150nMpH: 7.4 T: 22°CAssay Description:The assay is based upon displacement of a fluorescently labeled molecule, which binds specifically to the ATP-binding site of full-length human Hsp90...More data for this Ligand-Target Pair
TargetATP-dependent molecular chaperone HSP82(Baker's yeast)
University of Nottingham

LigandPNGBDBM15361((1aR,2Z,4E,14R,15aR)-8-chloro-9,11-dihydroxy-14-me...)
Affinity DataIC50:  200nMAssay Description:A colorimetric assay for the release of inorganic phosphate upon hydrolysis of ATP was used to determine the potency of Hsp 90 inhibitor against enzy...More data for this Ligand-Target Pair