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BDBM47704 2-[[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-keto-quinazolin-2-yl]thio]acetic acid ethyl ester::2-[[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-oxo-2-quinazolinyl]thio]acetic acid ethyl ester::MLS000095253::SMR000030807::cid_3240424::ethyl 2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate::ethyl 2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetate::ethyl {[3-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-4-oxo-3,4-dihydroquinazolin-2-yl]thio}acetate

SMILES: CCOC(=O)CSc1nc2ccccc2c(=O)n1CC1COc2ccccc2O1

InChI Key: InChIKey=WULDKQZVXFLOMW-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 = 47704   
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))
BDBM47704
PNG
(2-[[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-k...)
Show SMILES CCOC(=O)CSc1nc2ccccc2c(=O)n1CC1COc2ccccc2O1
Show InChI InChI=1S/C21H20N2O5S/c1-2-26-19(24)13-29-21-22-16-8-4-3-7-15(16)20(25)23(21)11-14-12-27-17-9-5-6-10-18(17)28-14/h3-10,14H,2,11-13H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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))
BDBM47704
PNG
(2-[[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-k...)
Show SMILES CCOC(=O)CSc1nc2ccccc2c(=O)n1CC1COc2ccccc2O1
Show InChI InChI=1S/C21H20N2O5S/c1-2-26-19(24)13-29-21-22-16-8-4-3-7-15(16)20(25)23(21)11-14-12-27-17-9-5-6-10-18(17)28-14/h3-10,14H,2,11-13H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
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/Q2K35S27
More data for this
Ligand-Target Pair
regulator of G-protein signaling 4


(Homo sapiens (Human))
BDBM47704
PNG
(2-[[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-k...)
Show SMILES CCOC(=O)CSc1nc2ccccc2c(=O)n1CC1COc2ccccc2O1
Show InChI InChI=1S/C21H20N2O5S/c1-2-26-19(24)13-29-21-22-16-8-4-3-7-15(16)20(25)23(21)11-14-12-27-17-9-5-6-10-18(17)28-14/h3-10,14H,2,11-13H2,1H3
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
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/Q2F76B0G
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 8


(Homo sapiens (Human))
BDBM47704
PNG
(2-[[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-k...)
Show SMILES CCOC(=O)CSc1nc2ccccc2c(=O)n1CC1COc2ccccc2O1
Show InChI InChI=1S/C21H20N2O5S/c1-2-26-19(24)13-29-21-22-16-8-4-3-7-15(16)20(25)23(21)11-14-12-27-17-9-5-6-10-18(17)28-14/h3-10,14H,2,11-13H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
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/Q2TM78JD
More data for this
Ligand-Target Pair
regulator of G-protein signalling 16


(Homo sapiens (Human))
BDBM47704
PNG
(2-[[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-k...)
Show SMILES CCOC(=O)CSc1nc2ccccc2c(=O)n1CC1COc2ccccc2O1
Show InChI InChI=1S/C21H20N2O5S/c1-2-26-19(24)13-29-21-22-16-8-4-3-7-15(16)20(25)23(21)11-14-12-27-17-9-5-6-10-18(17)28-14/h3-10,14H,2,11-13H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
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