BindingDB PrimarySearch

BDBM227589 Radicicol

SMILES: C[C@@H]1C[C@H]2O[C@@H]2\C=C/C=C/C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1

InChI Key: InChIKey=WYZWZEOGROVVHK-GTMNPGAYSA-N

Data: 2 KI 5 IC50 6 Kd

PDB links: 9 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 227589
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
ATP-citrate synthase (Rattus norvegicus)	BDBM227589 (Radicicol) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pisa Curated by ChEMBL					Assay Description Non-competitive inhibition of rat liver ACLY using citrate substrate and varying levels of ATP				Eur J Med Chem 157: 1276-1291 (2018) Article DOI: 10.1016/j.ejmech.2018.09.001 BindingDB Entry DOI: 10.7270/Q2N0197R
University of Pisa Curated by ChEMBL					More data for this Ligand-Target Pair
ATP-citrate synthase (Rattus norvegicus)	BDBM227589 (Radicicol) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pisa Curated by ChEMBL					Assay Description Non-competitive inhibition of rat liver ACLY using varying levels of citrate				Eur J Med Chem 157: 1276-1291 (2018) Article DOI: 10.1016/j.ejmech.2018.09.001 BindingDB Entry DOI: 10.7270/Q2N0197R
University of Pisa Curated by ChEMBL					More data for this Ligand-Target Pair
Heat-shock protein 90 (Hsp90) (Homo sapiens (Human))	BDBM227589 (Radicicol) Show SMILES Show InChI	PDB GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	46.3	n/a	n/a	n/a	7.5	15
University of Texas Southwestern Medical Center					Assay Description The PDK2 or Hsp90 N-terminal domain protein was dialyzed against 1 liter of thedialysis buffer containing 50 mM Tris-Cl, pH 7.5, 50 mM KCl, 1 mM MgCl...				J Biol Chem 289: 4432-43 (2014) Article DOI: 10.1074/jbc.M113.533885 BindingDB Entry DOI: 10.7270/Q2N58K7F
University of Texas Southwestern Medical Center					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat Shock Protein 90 (Hsp90) (Homo sapiens (Human))	BDBM227589 (Radicicol) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	<200	n/a	n/a	n/a	n/a	n/a	n/a
RiboTargets Ltd Curated by ChEMBL					Assay Description Inhibition of ATP-ase activity in human colon tumor cell line (HCT116)				Bioorg Med Chem Lett 14: 325-8 (2003) BindingDB Entry DOI: 10.7270/Q2P55MX0
RiboTargets Ltd Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial (Homo sapiens (Human))	BDBM227589 (Radicicol) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd. Curated by ChEMBL					Assay Description Inhibition of SUMO-tagged PDHK1 (unknown origin) in presence of [gamma-32P]ATP after 30 mins by SDS-PAGE based phosphor imaging method				J Med Chem 60: 2271-2286 (2017) Article DOI: 10.1021/acs.jmedchem.6b01478 BindingDB Entry DOI: 10.7270/Q2XG9TDJ
Vernalis (R&D) Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Cell cycle histidine kinase CckA (Caulobacter vibrioides)	BDBM227589 (Radicicol) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.84E+5	n/a	n/a	n/a	n/a	n/a	n/a
Williams College Curated by ChEMBL					Assay Description Inhibition of recombinant Caulobacter vibrioides cell cycle histidine kinase CckA deltaTM mutant DHp domain (70 to 691 residues) expressed in Escheri...				Bioorg Med Chem Lett 27: 5235-5244 (2017) Article DOI: 10.1016/j.bmcl.2017.10.036 BindingDB Entry DOI: 10.7270/Q20G3NQV
Williams College Curated by ChEMBL					More data for this Ligand-Target Pair
Heat Shock Protein 90 (Hsp90) (Homo sapiens (Human))	BDBM227589 (Radicicol) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Binding affinity to HSP90 (unknown origin) by isothermal titration calorimetry				J Med Chem 63: 1798-1822 (2020) Article DOI: 10.1021/acs.jmedchem.9b00940
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM227589 (Radicicol) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of HSP90 (unknown origin)				J Nat Prod 77: 618-24 (2014) Article DOI: 10.1021/np400889x BindingDB Entry DOI: 10.7270/Q2ZS30H3
University of California Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM227589 (Radicicol) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Binding affinity to human Hsp90 by surface plasmon resonance analysis				Eur J Med Chem 65: 464-76 (2013) Article DOI: 10.1016/j.ejmech.2013.05.016 BindingDB Entry DOI: 10.7270/Q2P2721F
University of Salerno Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM227589 (Radicicol) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Salerno Curated by ChEMBL					Assay Description Binding affinity to recombinant human HSP90 alpha by Surface plasmon resonance analysis				J Nat Prod 82: 539-549 (2019) Article DOI: 10.1021/acs.jnatprod.8b00924
Universit£ degli Studi di Salerno Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM227589 (Radicicol) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	1.86E+4	n/a	n/a	n/a	7.5	15
University of Texas Southwestern Medical Center					Assay Description The PDK2 or Hsp90 N-terminal domain protein was dialyzed against 1 liter of thedialysis buffer containing 50 mM Tris-Cl, pH 7.5, 50 mM KCl, 1 mM MgCl...				J Biol Chem 289: 4432-43 (2014) Article DOI: 10.1074/jbc.M113.533885 BindingDB Entry DOI: 10.7270/Q2N58K7F
University of Texas Southwestern Medical Center					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM227589 (Radicicol) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	7.78E+4	n/a	n/a	n/a	n/a	7.5	25
University of Texas Southwestern Medical Center					Assay Description To determine the IC50 for PDK inhibitors, a mixture containing 0.05-0.2 μM PDK, 6μM E1, with or without 0.5 μM of the PDC core E2/E3BP...				J Biol Chem 289: 4432-43 (2014) Article DOI: 10.1074/jbc.M113.533885 BindingDB Entry DOI: 10.7270/Q2N58K7F
University of Texas Southwestern Medical Center					More data for this Ligand-Target Pair
Virulence sensor histidine kinase PhoQ (Salmonella typhimurium (strain LT2 / SGSC1412 / AT...)	BDBM227589 (Radicicol) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	7.15E+5	n/a	n/a	n/a	n/a	n/a
Williams College Curated by ChEMBL					Assay Description Binding affinity to recombinant Salmonella typhimurium 15N-labeled PhoQ catalytic domain (332 to 487 residues) expressed in Escherichia coli XA90 ass...				Bioorg Med Chem Lett 27: 5235-5244 (2017) Article DOI: 10.1016/j.bmcl.2017.10.036 BindingDB Entry DOI: 10.7270/Q20G3NQV
Williams College Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)