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BDBM32135 4-[4-(3,4-dihydroxyphenyl)-3H-1,3-thiazol-2-ylidene]cyclohexa-2,5-dien-1-one::4-[4-(3,4-dihydroxyphenyl)-3H-thiazol-2-ylidene]-1-cyclohexa-2,5-dienone::4-[4-(3,4-dihydroxyphenyl)-4-thiazolin-2-ylidene]cyclohexa-2,5-dien-1-one::4-[4-[3,4-bis(oxidanyl)phenyl]-3H-1,3-thiazol-2-ylidene]cyclohexa-2,5-dien-1-one::MLS000111214::SMR000107140::cid_5406370

SMILES: Oc1ccc(cc1)-c1nc(cs1)-c1ccc(O)c(O)c1

InChI Key: InChIKey=FSQMZTBSNBWMOW-UHFFFAOYSA-N

Data: 4 IC50  7 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 32135   
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))
BDBM32135
PNG
(4-[4-(3,4-dihydroxyphenyl)-3H-1,3-thiazol-2-yliden...)
Show SMILES Oc1ccc(cc1)-c1nc(cs1)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H11NO3S/c17-11-4-1-9(2-5-11)15-16-12(8-20-15)10-3-6-13(18)14(19)7-10/h1-8,17-19H
PDB
MMDB

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n/an/a 740n/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
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM32135
PNG
(4-[4-(3,4-dihydroxyphenyl)-3H-1,3-thiazol-2-yliden...)
Show SMILES Oc1ccc(cc1)-c1nc(cs1)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H11NO3S/c17-11-4-1-9(2-5-11)15-16-12(8-20-15)10-3-6-13(18)14(19)7-10/h1-8,17-19H
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n/an/an/an/a 1.31E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM32135
PNG
(4-[4-(3,4-dihydroxyphenyl)-3H-1,3-thiazol-2-yliden...)
Show SMILES Oc1ccc(cc1)-c1nc(cs1)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H11NO3S/c17-11-4-1-9(2-5-11)15-16-12(8-20-15)10-3-6-13(18)14(19)7-10/h1-8,17-19H
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n/an/an/an/a 6.35E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM32135
PNG
(4-[4-(3,4-dihydroxyphenyl)-3H-1,3-thiazol-2-yliden...)
Show SMILES Oc1ccc(cc1)-c1nc(cs1)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H11NO3S/c17-11-4-1-9(2-5-11)15-16-12(8-20-15)10-3-6-13(18)14(19)7-10/h1-8,17-19H
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n/an/an/an/a 1.20E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32135
PNG
(4-[4-(3,4-dihydroxyphenyl)-3H-1,3-thiazol-2-yliden...)
Show SMILES Oc1ccc(cc1)-c1nc(cs1)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H11NO3S/c17-11-4-1-9(2-5-11)15-16-12(8-20-15)10-3-6-13(18)14(19)7-10/h1-8,17-19H
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n/an/a>3.00E+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
large T antigen


(Simian virus 40)
BDBM32135
PNG
(4-[4-(3,4-dihydroxyphenyl)-3H-1,3-thiazol-2-yliden...)
Show SMILES Oc1ccc(cc1)-c1nc(cs1)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H11NO3S/c17-11-4-1-9(2-5-11)15-16-12(8-20-15)10-3-6-13(18)14(19)7-10/h1-8,17-19H
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n/an/an/an/a>5.00E+4n/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM32135
PNG
(4-[4-(3,4-dihydroxyphenyl)-3H-1,3-thiazol-2-yliden...)
Show SMILES Oc1ccc(cc1)-c1nc(cs1)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H11NO3S/c17-11-4-1-9(2-5-11)15-16-12(8-20-15)10-3-6-13(18)14(19)7-10/h1-8,17-19H
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n/an/a 9.07E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CF9NHH
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM32135
PNG
(4-[4-(3,4-dihydroxyphenyl)-3H-1,3-thiazol-2-yliden...)
Show SMILES Oc1ccc(cc1)-c1nc(cs1)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H11NO3S/c17-11-4-1-9(2-5-11)15-16-12(8-20-15)10-3-6-13(18)14(19)7-10/h1-8,17-19H
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n/an/a 4.96E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
POsterior Segregation family member (pos-1)


(Caenorhabditis elegans)
BDBM32135
PNG
(4-[4-(3,4-dihydroxyphenyl)-3H-1,3-thiazol-2-yliden...)
Show SMILES Oc1ccc(cc1)-c1nc(cs1)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H11NO3S/c17-11-4-1-9(2-5-11)15-16-12(8-20-15)10-3-6-13(18)14(19)7-10/h1-8,17-19H
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n/an/an/an/a 3.35E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q28G8J4C
More data for this
Ligand-Target Pair
RecName: Full=Zinc finger protein mex-5


(Caenorhabditis elegans)
BDBM32135
PNG
(4-[4-(3,4-dihydroxyphenyl)-3H-1,3-thiazol-2-yliden...)
Show SMILES Oc1ccc(cc1)-c1nc(cs1)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H11NO3S/c17-11-4-1-9(2-5-11)15-16-12(8-20-15)10-3-6-13(18)14(19)7-10/h1-8,17-19H
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n/an/an/an/a 2.08E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2D798VP
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM32135
PNG
(4-[4-(3,4-dihydroxyphenyl)-3H-1,3-thiazol-2-yliden...)
Show SMILES Oc1ccc(cc1)-c1nc(cs1)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H11NO3S/c17-11-4-1-9(2-5-11)15-16-12(8-20-15)10-3-6-13(18)14(19)7-10/h1-8,17-19H
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n/an/an/an/a<195n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair