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BDBM36974 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone::2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-1-[4-(2,3-dimethylphenyl)-1-piperazinyl]ethanone::2-[(3,5-dimethylisoxazol-4-yl)methylthio]-1-[4-(2,3-dimethylphenyl)piperazino]ethanone::MLS000053719::SMR000064422::cid_2537506

SMILES: Cc1noc(C)c1CSCC(=O)N1CCN(CC1)c1cccc(C)c1C

InChI Key: InChIKey=UOYXGXJBTVISCR-UHFFFAOYSA-N

Data: 4 IC50  4 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 8 hits for monomerid = 36974   
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
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36974
PNG
(2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1...)
Show SMILES Cc1noc(C)c1CSCC(=O)N1CCN(CC1)c1cccc(C)c1C
Show InChI InChI=1S/C20H27N3O2S/c1-14-6-5-7-19(15(14)2)22-8-10-23(11-9-22)20(24)13-26-12-18-16(3)21-25-17(18)4/h5-7H,8-13H2,1-4H3
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n/an/an/an/a 4.41E+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)


Article DOI: 10.1021/bi701954p
BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36974
PNG
(2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1...)
Show SMILES Cc1noc(C)c1CSCC(=O)N1CCN(CC1)c1cccc(C)c1C
Show InChI InChI=1S/C20H27N3O2S/c1-14-6-5-7-19(15(14)2)22-8-10-23(11-9-22)20(24)13-26-12-18-16(3)21-25-17(18)4/h5-7H,8-13H2,1-4H3
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n/an/an/an/a>3.00E+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)


Article DOI: 10.1021/bi301387m
BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36974
PNG
(2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1...)
Show SMILES Cc1noc(C)c1CSCC(=O)N1CCN(CC1)c1cccc(C)c1C
Show InChI InChI=1S/C20H27N3O2S/c1-14-6-5-7-19(15(14)2)22-8-10-23(11-9-22)20(24)13-26-12-18-16(3)21-25-17(18)4/h5-7H,8-13H2,1-4H3
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n/an/an/an/a 4.52E+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)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM36974
PNG
(2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1...)
Show SMILES Cc1noc(C)c1CSCC(=O)N1CCN(CC1)c1cccc(C)c1C
Show InChI InChI=1S/C20H27N3O2S/c1-14-6-5-7-19(15(14)2)22-8-10-23(11-9-22)20(24)13-26-12-18-16(3)21-25-17(18)4/h5-7H,8-13H2,1-4H3
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n/an/an/an/a 2.43E+5n/an/an/an/a



Broad Institute

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Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Steroidogenic Factor 1


(Homo sapiens (Human))
BDBM36974
PNG
(2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1...)
Show SMILES Cc1noc(C)c1CSCC(=O)N1CCN(CC1)c1cccc(C)c1C
Show InChI InChI=1S/C20H27N3O2S/c1-14-6-5-7-19(15(14)2)22-8-10-23(11-9-22)20(24)13-26-12-18-16(3)21-25-17(18)4/h5-7H,8-13H2,1-4H3
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UniChem
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n/an/a 876n/an/an/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)


Article DOI: 10.1021/cc060110n
BindingDB Entry DOI: 10.7270/Q2319T8T
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens (Human))
BDBM36974
PNG
(2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1...)
Show SMILES Cc1noc(C)c1CSCC(=O)N1CCN(CC1)c1cccc(C)c1C
Show InChI InChI=1S/C20H27N3O2S/c1-14-6-5-7-19(15(14)2)22-8-10-23(11-9-22)20(24)13-26-12-18-16(3)21-25-17(18)4/h5-7H,8-13H2,1-4H3
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n/an/a 4.56E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (Human))
BDBM36974
PNG
(2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1...)
Show SMILES Cc1noc(C)c1CSCC(=O)N1CCN(CC1)c1cccc(C)c1C
Show InChI InChI=1S/C20H27N3O2S/c1-14-6-5-7-19(15(14)2)22-8-10-23(11-9-22)20(24)13-26-12-18-16(3)21-25-17(18)4/h5-7H,8-13H2,1-4H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935ZR
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM36974
PNG
(2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1...)
Show SMILES Cc1noc(C)c1CSCC(=O)N1CCN(CC1)c1cccc(C)c1C
Show InChI InChI=1S/C20H27N3O2S/c1-14-6-5-7-19(15(14)2)22-8-10-23(11-9-22)20(24)13-26-12-18-16(3)21-25-17(18)4/h5-7H,8-13H2,1-4H3
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n/an/a 1.12E+3n/an/an/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)


Article DOI: 10.1021/cc0600021
BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair