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BDBM47703 2,3-dihydro-1,4-dioxin-5-carboxylic acid [2-(4-tert-butylanilino)-2-oxoethyl] ester::2,3-dihydro-p-dioxin-5-carboxylic acid [2-(4-tert-butylanilino)-2-keto-ethyl] ester::MLS000082235::SMR000061029::[2-(4-tert-butylanilino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate::[2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate::cid_2337962

SMILES: CC(C)(C)c1ccc(NC(=O)COC(=O)C2=COCCO2)cc1

InChI Key: InChIKey=XSUNHFXOEAMLBL-UHFFFAOYSA-N

Data: 5 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 = 47703   
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
RGS7


(Homo sapiens (Human))
BDBM47703
PNG
(2,3-dihydro-1,4-dioxin-5-carboxylic acid [2-(4-ter...)
Show SMILES CC(C)(C)c1ccc(NC(=O)COC(=O)C2=COCCO2)cc1 |t:15|
Show InChI InChI=1S/C17H21NO5/c1-17(2,3)12-4-6-13(7-5-12)18-15(19)11-23-16(20)14-10-21-8-9-22-14/h4-7,10H,8-9,11H2,1-3H3,(H,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PV6HS7
More data for this
Ligand-Target Pair
G protein signalling regulator 19


(Homo sapiens (Human))
BDBM47703
PNG
(2,3-dihydro-1,4-dioxin-5-carboxylic acid [2-(4-ter...)
Show SMILES CC(C)(C)c1ccc(NC(=O)COC(=O)C2=COCCO2)cc1 |t:15|
Show InChI InChI=1S/C17H21NO5/c1-17(2,3)12-4-6-13(7-5-12)18-15(19)11-23-16(20)14-10-21-8-9-22-14/h4-7,10H,8-9,11H2,1-3H3,(H,18,19)
PDB
MMDB

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PC sid
UniChem
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n/an/an/an/a>3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2K35S27
More data for this
Ligand-Target Pair
regulator of G-protein signaling 4


(Homo sapiens (Human))
BDBM47703
PNG
(2,3-dihydro-1,4-dioxin-5-carboxylic acid [2-(4-ter...)
Show SMILES CC(C)(C)c1ccc(NC(=O)COC(=O)C2=COCCO2)cc1 |t:15|
Show InChI InChI=1S/C17H21NO5/c1-17(2,3)12-4-6-13(7-5-12)18-15(19)11-23-16(20)14-10-21-8-9-22-14/h4-7,10H,8-9,11H2,1-3H3,(H,18,19)
PDB

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antibodypedia
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PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


Article DOI: 10.1021/cb400177q
BindingDB Entry DOI: 10.7270/Q2F76B0G
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 8


(Homo sapiens (Human))
BDBM47703
PNG
(2,3-dihydro-1,4-dioxin-5-carboxylic acid [2-(4-ter...)
Show SMILES CC(C)(C)c1ccc(NC(=O)COC(=O)C2=COCCO2)cc1 |t:15|
Show InChI InChI=1S/C17H21NO5/c1-17(2,3)12-4-6-13(7-5-12)18-15(19)11-23-16(20)14-10-21-8-9-22-14/h4-7,10H,8-9,11H2,1-3H3,(H,18,19)
PDB
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PC cid
PC sid
UniChem
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n/an/an/an/a>3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2TM78JD
More data for this
Ligand-Target Pair
regulator of G-protein signalling 16


(Homo sapiens (Human))
BDBM47703
PNG
(2,3-dihydro-1,4-dioxin-5-carboxylic acid [2-(4-ter...)
Show SMILES CC(C)(C)c1ccc(NC(=O)COC(=O)C2=COCCO2)cc1 |t:15|
Show InChI InChI=1S/C17H21NO5/c1-17(2,3)12-4-6-13(7-5-12)18-15(19)11-23-16(20)14-10-21-8-9-22-14/h4-7,10H,8-9,11H2,1-3H3,(H,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair