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BDBM48938 2-sulfanylidene-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester::2-thioxo-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester::MLS000055712::SMR000060737::cid_547914::dimethyl 2-sulfanylidene-1,3-dithiole-4,5-dicarboxylate

SMILES: COC(=O)c1sc(=S)sc1C(=O)OC

InChI Key: InChIKey=UZKKFHMMXWDIPD-UHFFFAOYSA-N

Data: 2 IC50  1 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 3 hits for monomerid = 48938   
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
D(1B) dopamine receptor


(Homo sapiens (Human))
BDBM48938
PNG
(2-sulfanylidene-1,3-dithiole-4,5-dicarboxylic acid...)
Show SMILES COC(=O)c1sc(=S)sc1C(=O)OC
Show InChI InChI=1S/C7H6O4S3/c1-10-5(8)3-4(6(9)11-2)14-7(12)13-3/h1-2H3
UniProtKB/SwissProt

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MCE
PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 0.00847n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2MW2FJG
More data for this
Ligand-Target Pair
Polyadenylate-binding protein 1


(Homo sapiens (Human))
BDBM48938
PNG
(2-sulfanylidene-1,3-dithiole-4,5-dicarboxylic acid...)
Show SMILES COC(=O)c1sc(=S)sc1C(=O)OC
Show InChI InChI=1S/C7H6O4S3/c1-10-5(8)3-4(6(9)11-2)14-7(12)13-3/h1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
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MCE
PC cid
PC sid
UniChem

Patents

PCBioAssay
n/an/a>6.60E+4n/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/Q2V40ST1
More data for this
Ligand-Target Pair
Polyadenylate-binding protein 1


(Homo sapiens (Human))
BDBM48938
PNG
(2-sulfanylidene-1,3-dithiole-4,5-dicarboxylic acid...)
Show SMILES COC(=O)c1sc(=S)sc1C(=O)OC
Show InChI InChI=1S/C7H6O4S3/c1-10-5(8)3-4(6(9)11-2)14-7(12)13-3/h1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Patents

PCBioAssay
n/an/a>6.60E+4n/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/Q2ZW1JJF
More data for this
Ligand-Target Pair