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BDBM32185 6-[5-(3-methoxy-4-oxidanyl-phenyl)pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one::6-[5-(4-hydroxy-3-methoxy-phenyl)pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one::6-[5-(4-hydroxy-3-methoxyphenyl)-3-pyrazolidinylidene]-1-cyclohexa-2,4-dienone::6-[5-(4-hydroxy-3-methoxyphenyl)pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one::CHEMBL210638::TG2-101-2::cid_6790395

SMILES: COc1cc(ccc1O)C1CC(N=N1)c1ccccc1O

InChI Key: InChIKey=KHERWPKMPPANRP-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 32185   
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 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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UniChem

Similars

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 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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UniChem

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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
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(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
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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GoogleScholar
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PC cid
PC sid
UniChem

Similars

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