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BDBM39543 3-(3-methoxyphenyl)-5-(2-thienyl)-1,2,4-oxadiazole::3-(3-methoxyphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole::MLS000083721::SMR000047269::cid_665971

SMILES: COc1cccc(c1)-c1noc(n1)-c1cccs1

InChI Key: InChIKey=NWPANAJPHRXMQR-UHFFFAOYSA-N

Data: 1 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 5 hits for monomerid = 39543   
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
Steroidogenic Factor 1


(Homo sapiens (Human))
BDBM39543
PNG
(3-(3-methoxyphenyl)-5-(2-thienyl)-1,2,4-oxadiazole...)
Show SMILES COc1cccc(c1)-c1noc(n1)-c1cccs1
Show InChI InChI=1S/C13H10N2O2S/c1-16-10-5-2-4-9(8-10)12-14-13(17-15-12)11-6-3-7-18-11/h2-8H,1H3
PDB
MMDB

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n/an/an/an/a 226n/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/Q2028PXQ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM39543
PNG
(3-(3-methoxyphenyl)-5-(2-thienyl)-1,2,4-oxadiazole...)
Show SMILES COc1cccc(c1)-c1noc(n1)-c1cccs1
Show InChI InChI=1S/C13H10N2O2S/c1-16-10-5-2-4-9(8-10)12-14-13(17-15-12)11-6-3-7-18-11/h2-8H,1H3
PDB
MMDB

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n/an/an/an/a>407n/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/Q2RJ4GVG
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM39543
PNG
(3-(3-methoxyphenyl)-5-(2-thienyl)-1,2,4-oxadiazole...)
Show SMILES COc1cccc(c1)-c1noc(n1)-c1cccs1
Show InChI InChI=1S/C13H10N2O2S/c1-16-10-5-2-4-9(8-10)12-14-13(17-15-12)11-6-3-7-18-11/h2-8H,1H3
PDB

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n/an/an/an/a 6.76E+4n/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 Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2ZP44SP
More data for this
Ligand-Target Pair
SKiNhead family member (skn-1)


(Caenorhabditis elegans)
BDBM39543
PNG
(3-(3-methoxyphenyl)-5-(2-thienyl)-1,2,4-oxadiazole...)
Show SMILES COc1cccc(c1)-c1noc(n1)-c1cccs1
Show InChI InChI=1S/C13H10N2O2S/c1-16-10-5-2-4-9(8-10)12-14-13(17-15-12)11-6-3-7-18-11/h2-8H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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n/an/a 4.24E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM39543
PNG
(3-(3-methoxyphenyl)-5-(2-thienyl)-1,2,4-oxadiazole...)
Show SMILES COc1cccc(c1)-c1noc(n1)-c1cccs1
Show InChI InChI=1S/C13H10N2O2S/c1-16-10-5-2-4-9(8-10)12-14-13(17-15-12)11-6-3-7-18-11/h2-8H,1H3
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n/an/an/an/a 2.18E+3n/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 (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair