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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 32185   
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)


(Homo sapiens (Human))
BDBM32185
PNG
(6-[5-(3-methoxy-4-oxidanyl-phenyl)pyrazolidin-3-yl...)
Show SMILES COc1cc(ccc1O)C1CC(N=N1)c1ccccc1O
Show InChI InChI=1S/C16H16N2O3/c1-21-16-8-10(6-7-15(16)20)12-9-13(18-17-12)11-4-2-3-5-14(11)19/h2-8,12-13,19-20H,9H2,1H3
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PC sid
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Article
PubMed
n/an/a 5.40E+3n/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of Hsp90 by recombinant ATPase assay


Bioorg Med Chem Lett 16: 3005-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.063
BindingDB Entry DOI: 10.7270/Q2W37VXT
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM32185
PNG
(6-[5-(3-methoxy-4-oxidanyl-phenyl)pyrazolidin-3-yl...)
Show SMILES COc1cc(ccc1O)C1CC(N=N1)c1ccccc1O
Show InChI InChI=1S/C16H16N2O3/c1-21-16-8-10(6-7-15(16)20)12-9-13(18-17-12)11-4-2-3-5-14(11)19/h2-8,12-13,19-20H,9H2,1H3
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Article
PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of Her2 in SKBr3 cells by ELISA


Bioorg Med Chem Lett 16: 3005-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.063
BindingDB Entry DOI: 10.7270/Q2W37VXT
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM32185
PNG
(6-[5-(3-methoxy-4-oxidanyl-phenyl)pyrazolidin-3-yl...)
Show SMILES COc1cc(ccc1O)C1CC(N=N1)c1ccccc1O
Show InChI InChI=1S/C16H16N2O3/c1-21-16-8-10(6-7-15(16)20)12-9-13(18-17-12)11-4-2-3-5-14(11)19/h2-8,12-13,19-20H,9H2,1H3
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n/an/a 5.00E+4n/an/an/an/a7.423



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Q23XM6
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM32185
PNG
(6-[5-(3-methoxy-4-oxidanyl-phenyl)pyrazolidin-3-yl...)
Show SMILES COc1cc(ccc1O)C1CC(N=N1)c1ccccc1O
Show InChI InChI=1S/C16H16N2O3/c1-21-16-8-10(6-7-15(16)20)12-9-13(18-17-12)11-4-2-3-5-14(11)19/h2-8,12-13,19-20H,9H2,1H3
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PCBioAssay
n/an/a 5.10E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25M643N
More data for this
Ligand-Target Pair