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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Heat Shock Protein 90 (Hsp90)' and Ligand = 'BDBM68259'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM68259
PNG
(Microlactone, 15e)
Show SMILES C[C@@H]1CCC=CCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
Show InChI InChI=1S/C18H21ClO5/c1-11-7-5-3-2-4-6-8-12(20)9-13-16(18(23)24-11)14(21)10-15(22)17(13)19/h2-3,10-11,21-22H,4-9H2,1H3/t11-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



University of Nottingham



Assay Description
Binding competition assay with a fluorescent probe.


Chem Biol 13: 1203-15 (2006)


Article DOI: 10.1016/j.chembiol.2006.09.015
BindingDB Entry DOI: 10.7270/Q2930RMM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM68259
PNG
(Microlactone, 15e)
Show SMILES C[C@@H]1CCC=CCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
Show InChI InChI=1S/C18H21ClO5/c1-11-7-5-3-2-4-6-8-12(20)9-13-16(18(23)24-11)14(21)10-15(22)17(13)19/h2-3,10-11,21-22H,4-9H2,1H3/t11-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



University of Nottingham



Assay 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...


Chem Biol 13: 1203-15 (2006)


Article DOI: 10.1016/j.chembiol.2006.09.015
BindingDB Entry DOI: 10.7270/Q2930RMM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)