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BDBM79504 2-[5-[(Z)-[3-(1-ethoxy-1-oxidanylidene-propan-2-yl)-2,4-bis(oxidanylidene)-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid::2-[5-[(Z)-[3-(1-ethoxy-1-oxopropan-2-yl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid::2-[5-[(Z)-[3-(1-ethoxy-1-oxopropan-2-yl)-2,4-dioxo-5-thiazolidinylidene]methyl]-2-furanyl]benzoic acid::2-[5-[(Z)-[3-(2-ethoxy-2-keto-1-methyl-ethyl)-2,4-diketo-thiazolidin-5-ylidene]methyl]-2-furyl]benzoic acid::MLS001213232::SMR000542887::cid_6517290

SMILES: CCOC(=O)C(C)N1C(=O)S\C(=C/c2ccc(o2)-c2ccccc2C(O)=O)C1=O

InChI Key: InChIKey=MRLTXEYLPCUWFS-YBEGLDIGSA-N

Data: 2 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 79504   
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
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM79504
PNG
(2-[5-[(Z)-[3-(1-ethoxy-1-oxidanylidene-propan-2-yl...)
Show SMILES CCOC(=O)C(C)N1C(=O)S\C(=C/c2ccc(o2)-c2ccccc2C(O)=O)C1=O
Show InChI InChI=1S/C20H17NO7S/c1-3-27-19(25)11(2)21-17(22)16(29-20(21)26)10-12-8-9-15(28-12)13-6-4-5-7-14(13)18(23)24/h4-11H,3H2,1-2H3,(H,23,24)/b16-10-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 3.05E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2B56H72
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM79504
PNG
(2-[5-[(Z)-[3-(1-ethoxy-1-oxidanylidene-propan-2-yl...)
Show SMILES CCOC(=O)C(C)N1C(=O)S\C(=C/c2ccc(o2)-c2ccccc2C(O)=O)C1=O
Show InChI InChI=1S/C20H17NO7S/c1-3-27-19(25)11(2)21-17(22)16(29-20(21)26)10-12-8-9-15(28-12)13-6-4-5-7-14(13)18(23)24/h4-11H,3H2,1-2H3,(H,23,24)/b16-10-
PDB

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PCBioAssay
n/an/a 6.76E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2NC5ZRN
More data for this
Ligand-Target Pair
carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 isoform 1


(Homo sapiens (Human))
BDBM79504
PNG
(2-[5-[(Z)-[3-(1-ethoxy-1-oxidanylidene-propan-2-yl...)
Show SMILES CCOC(=O)C(C)N1C(=O)S\C(=C/c2ccc(o2)-c2ccccc2C(O)=O)C1=O
Show InChI InChI=1S/C20H17NO7S/c1-3-27-19(25)11(2)21-17(22)16(29-20(21)26)10-12-8-9-15(28-12)13-6-4-5-7-14(13)18(23)24/h4-11H,3H2,1-2H3,(H,23,24)/b16-10-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.88E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2V986KM
More data for this
Ligand-Target Pair