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BDBM68264 Microlactone, 15i

SMILES: C[C@@H]1CC=CCCCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1

InChI Key: InChIKey=NBRXJADBAFQALQ-GFCCVEGCSA-N

Data: 4 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 68264   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM68264
PNG
(Microlactone, 15i)
Show SMILES C[C@@H]1CC=CCCCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
Show InChI InChI=1S/C19H23ClO5/c1-12-8-6-4-2-3-5-7-9-13(21)10-14-17(19(24)25-12)15(22)11-16(23)18(14)20/h4,6,11-12,22-23H,2-3,5,7-10H2,1H3/t12-/m1/s1
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 4.90E+3n/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
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM68264
PNG
(Microlactone, 15i)
Show SMILES C[C@@H]1CC=CCCCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
Show InChI InChI=1S/C19H23ClO5/c1-12-8-6-4-2-3-5-7-9-13(21)10-14-17(19(24)25-12)15(22)11-16(23)18(14)20/h4,6,11-12,22-23H,2-3,5,7-10H2,1H3/t12-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 160n/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
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM68264
PNG
(Microlactone, 15i)
Show SMILES C[C@@H]1CC=CCCCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
Show InChI InChI=1S/C19H23ClO5/c1-12-8-6-4-2-3-5-7-9-13(21)10-14-17(19(24)25-12)15(22)11-16(23)18(14)20/h4,6,11-12,22-23H,2-3,5,7-10H2,1H3/t12-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 220n/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
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM68264
PNG
(Microlactone, 15i)
Show SMILES C[C@@H]1CC=CCCCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
Show InChI InChI=1S/C19H23ClO5/c1-12-8-6-4-2-3-5-7-9-13(21)10-14-17(19(24)25-12)15(22)11-16(23)18(14)20/h4,6,11-12,22-23H,2-3,5,7-10H2,1H3/t12-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.30E+3n/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