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BDBM50413270 CHEMBL512879

SMILES: CCOCCOc1nc(sc1C)-c1ccc(cc1)C(O)=O

InChI Key: InChIKey=BXLYSGAPEKJSCL-UHFFFAOYSA-N

Data: 4 EC50

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Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50413270   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Retinoid receptor


(Homo sapiens (Human))
BDBM50413270
PNG
(CHEMBL512879)
Show SMILES CCOCCOc1nc(sc1C)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C15H17NO4S/c1-3-19-8-9-20-13-10(2)21-14(16-13)11-4-6-12(7-5-11)15(17)18/h4-7H,3,8-9H2,1-2H3,(H,17,18)
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Article
PubMed
n/an/an/an/a 63.1n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at RARbeta2 expressed in mouse NIH3T3 cells by R-SAT assay


J Med Chem 52: 1540-5 (2009)


Article DOI: 10.1021/jm801532e
BindingDB Entry DOI: 10.7270/Q2K938R9
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50413270
PNG
(CHEMBL512879)
Show SMILES CCOCCOc1nc(sc1C)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C15H17NO4S/c1-3-19-8-9-20-13-10(2)21-14(16-13)11-4-6-12(7-5-11)15(17)18/h4-7H,3,8-9H2,1-2H3,(H,17,18)
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PubMed
n/an/an/an/a 57n/an/an/an/a



Helwan University

Curated by ChEMBL


Assay Description
Transactivation of GST-tagged RARbeta LBD (unknown origin) assessed as fluorescein-labelled coactivator peptide recruitment measured after 4 hrs by T...


Bioorg Med Chem 26: 1560-1572 (2018)


Article DOI: 10.1016/j.bmc.2018.02.002
BindingDB Entry DOI: 10.7270/Q2WQ06F7
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/gamma


(Homo sapiens (Human))
BDBM50413270
PNG
(CHEMBL512879)
Show SMILES CCOCCOc1nc(sc1C)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C15H17NO4S/c1-3-19-8-9-20-13-10(2)21-14(16-13)11-4-6-12(7-5-11)15(17)18/h4-7H,3,8-9H2,1-2H3,(H,17,18)
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Article
PubMed
n/an/an/an/a 141n/an/an/an/a



Helwan University

Curated by ChEMBL


Assay Description
Transactivation of GST-tagged RARgamma LBD (unknown origin) assessed as fluorescein-labelled coactivator peptide recruitment measured after 4 hrs by ...


Bioorg Med Chem 26: 1560-1572 (2018)


Article DOI: 10.1016/j.bmc.2018.02.002
BindingDB Entry DOI: 10.7270/Q2WQ06F7
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha/Retinoid X receptor alpha


(Homo sapiens (Human))
BDBM50413270
PNG
(CHEMBL512879)
Show SMILES CCOCCOc1nc(sc1C)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C15H17NO4S/c1-3-19-8-9-20-13-10(2)21-14(16-13)11-4-6-12(7-5-11)15(17)18/h4-7H,3,8-9H2,1-2H3,(H,17,18)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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antibodypedia
GoogleScholar
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PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 15n/an/an/an/a



Helwan University

Curated by ChEMBL


Assay Description
Transactivation of GST-tagged RARalpha LBD (unknown origin) assessed as fluorescein-labelled coactivator peptide recruitment measured after 4 hrs by ...


Bioorg Med Chem 26: 1560-1572 (2018)


Article DOI: 10.1016/j.bmc.2018.02.002
BindingDB Entry DOI: 10.7270/Q2WQ06F7
More data for this
Ligand-Target Pair