BindingDB logo
myBDB logout

BDBM34916 6-(2,4-dimethoxyphenyl)-3-phenyl-2,5-dithioxo-2,3,5,6-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-7(4H)-one::6-(2,4-dimethoxyphenyl)-3-phenyl-2,5-dithioxo-4H-thiazolo[4,5-d]pyrimidin-7-one;triethylamine::MLS000621888::N,N-diethylethanamine;6-(2,4-dimethoxyphenyl)-3-phenyl-2,5-bis(sulfanylidene)-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one::N,N-diethylethanamine;6-(2,4-dimethoxyphenyl)-3-phenyl-2,5-bis(sulfanylidene)-4H-thiazolo[4,5-d]pyrimidin-7-one::SMR000310815::cid_16193566

SMILES: COc1ccc(c(OC)c1)-n1c(=S)[nH]c2n(-c3ccccc3)c(=S)sc2c1=O

InChI Key: InChIKey=JASTXBOVJBDOQP-UHFFFAOYSA-N

Data: 5 IC50

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 = 34916   
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
MPI protein


(Homo sapiens (Human))
BDBM34916
PNG
(6-(2,4-dimethoxyphenyl)-3-phenyl-2,5-dithioxo-2,3,...)
Show SMILES COc1ccc(c(OC)c1)-n1c(=S)[nH]c2n(-c3ccccc3)c(=S)sc2c1=O |(.95,.95,;.95,2.49,;2.29,3.26,;3.62,2.49,;4.96,3.26,;4.96,4.8,;3.62,5.57,;3.62,7.11,;2.29,7.88,;2.29,4.8,;6.29,5.57,;6.29,7.11,;4.96,7.88,;7.62,7.88,;8.96,7.11,;10.41,7.58,;10.89,9.05,;12.4,9.37,;12.88,10.83,;11.85,11.98,;10.34,11.66,;9.86,10.19,;11.31,6.34,;12.85,6.34,;10.41,5.11,;8.96,5.57,;7.62,4.8,;7.62,3.26,)|
Show InChI InChI=1S/C19H15N3O3S3/c1-24-12-8-9-13(14(10-12)25-2)22-17(23)15-16(20-18(22)26)21(19(27)28-15)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,20,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.76E+4n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)
BDBM34916
PNG
(6-(2,4-dimethoxyphenyl)-3-phenyl-2,5-dithioxo-2,3,...)
Show SMILES COc1ccc(c(OC)c1)-n1c(=S)[nH]c2n(-c3ccccc3)c(=S)sc2c1=O |(.95,.95,;.95,2.49,;2.29,3.26,;3.62,2.49,;4.96,3.26,;4.96,4.8,;3.62,5.57,;3.62,7.11,;2.29,7.88,;2.29,4.8,;6.29,5.57,;6.29,7.11,;4.96,7.88,;7.62,7.88,;8.96,7.11,;10.41,7.58,;10.89,9.05,;12.4,9.37,;12.88,10.83,;11.85,11.98,;10.34,11.66,;9.86,10.19,;11.31,6.34,;12.85,6.34,;10.41,5.11,;8.96,5.57,;7.62,4.8,;7.62,3.26,)|
Show InChI InChI=1S/C19H15N3O3S3/c1-24-12-8-9-13(14(10-12)25-2)22-17(23)15-16(20-18(22)26)21(19(27)28-15)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,20,26)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.39E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2ZS2TZG
More data for this
Ligand-Target Pair
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)
BDBM34916
PNG
(6-(2,4-dimethoxyphenyl)-3-phenyl-2,5-dithioxo-2,3,...)
Show SMILES COc1ccc(c(OC)c1)-n1c(=S)[nH]c2n(-c3ccccc3)c(=S)sc2c1=O |(.95,.95,;.95,2.49,;2.29,3.26,;3.62,2.49,;4.96,3.26,;4.96,4.8,;3.62,5.57,;3.62,7.11,;2.29,7.88,;2.29,4.8,;6.29,5.57,;6.29,7.11,;4.96,7.88,;7.62,7.88,;8.96,7.11,;10.41,7.58,;10.89,9.05,;12.4,9.37,;12.88,10.83,;11.85,11.98,;10.34,11.66,;9.86,10.19,;11.31,6.34,;12.85,6.34,;10.41,5.11,;8.96,5.57,;7.62,4.8,;7.62,3.26,)|
Show InChI InChI=1S/C19H15N3O3S3/c1-24-12-8-9-13(14(10-12)25-2)22-17(23)15-16(20-18(22)26)21(19(27)28-15)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,20,26)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>8.00E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q23T9FQ1
More data for this
Ligand-Target Pair
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)
BDBM34916
PNG
(6-(2,4-dimethoxyphenyl)-3-phenyl-2,5-dithioxo-2,3,...)
Show SMILES COc1ccc(c(OC)c1)-n1c(=S)[nH]c2n(-c3ccccc3)c(=S)sc2c1=O |(.95,.95,;.95,2.49,;2.29,3.26,;3.62,2.49,;4.96,3.26,;4.96,4.8,;3.62,5.57,;3.62,7.11,;2.29,7.88,;2.29,4.8,;6.29,5.57,;6.29,7.11,;4.96,7.88,;7.62,7.88,;8.96,7.11,;10.41,7.58,;10.89,9.05,;12.4,9.37,;12.88,10.83,;11.85,11.98,;10.34,11.66,;9.86,10.19,;11.31,6.34,;12.85,6.34,;10.41,5.11,;8.96,5.57,;7.62,4.8,;7.62,3.26,)|
Show InChI InChI=1S/C19H15N3O3S3/c1-24-12-8-9-13(14(10-12)25-2)22-17(23)15-16(20-18(22)26)21(19(27)28-15)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,20,26)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.80E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q27H1H3W
More data for this
Ligand-Target Pair
Glucose 6-phosphate dehydrogenase (G6PD)


(Homo sapiens (Human))
BDBM34916
PNG
(6-(2,4-dimethoxyphenyl)-3-phenyl-2,5-dithioxo-2,3,...)
Show SMILES COc1ccc(c(OC)c1)-n1c(=S)[nH]c2n(-c3ccccc3)c(=S)sc2c1=O |(.95,.95,;.95,2.49,;2.29,3.26,;3.62,2.49,;4.96,3.26,;4.96,4.8,;3.62,5.57,;3.62,7.11,;2.29,7.88,;2.29,4.8,;6.29,5.57,;6.29,7.11,;4.96,7.88,;7.62,7.88,;8.96,7.11,;10.41,7.58,;10.89,9.05,;12.4,9.37,;12.88,10.83,;11.85,11.98,;10.34,11.66,;9.86,10.19,;11.31,6.34,;12.85,6.34,;10.41,5.11,;8.96,5.57,;7.62,4.8,;7.62,3.26,)|
Show InChI InChI=1S/C19H15N3O3S3/c1-24-12-8-9-13(14(10-12)25-2)22-17(23)15-16(20-18(22)26)21(19(27)28-15)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,20,26)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>8.00E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2V12389
More data for this
Ligand-Target Pair