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BDBM34855 MLS000699314::N,N'-bis(5-keto-6-methyl-3-thioxo-2H-1,2,4-triazin-4-yl)malonamide::N,N'-bis(6-methyl-5-oxidanylidene-3-sulfanylidene-2H-1,2,4-triazin-4-yl)propanediamide::N,N'-bis(6-methyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-4-yl)propanediamide::N~1~,N~3~-bis(6-methyl-5-oxo-3-thioxo-2,5-dihydro-1,2,4-triazin-4(3H)-yl)malonamide::SMR000229794::cid_9500339

SMILES: Cc1n[nH]c(=S)n(NC(=O)CC(=O)Nn2c(=S)[nH]nc(C)c2=O)c1=O

InChI Key: InChIKey=QRBFZPHUDPQXLW-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 = 34855   
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))
BDBM34855
PNG
(MLS000699314 | N,N'-bis(5-keto-6-methyl-3-thioxo-2...)
Show SMILES Cc1n[nH]c(=S)n(NC(=O)CC(=O)Nn2c(=S)[nH]nc(C)c2=O)c1=O
Show InChI InChI=1S/C11H12N8O4S2/c1-4-8(22)18(10(24)14-12-4)16-6(20)3-7(21)17-19-9(23)5(2)13-15-11(19)25/h3H2,1-2H3,(H,14,24)(H,15,25)(H,16,20)(H,17,21)
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KEGG

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+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
MPI protein


(Homo sapiens (Human))
BDBM34855
PNG
(MLS000699314 | N,N'-bis(5-keto-6-methyl-3-thioxo-2...)
Show SMILES Cc1n[nH]c(=S)n(NC(=O)CC(=O)Nn2c(=S)[nH]nc(C)c2=O)c1=O
Show InChI InChI=1S/C11H12N8O4S2/c1-4-8(22)18(10(24)14-12-4)16-6(20)3-7(21)17-19-9(23)5(2)13-15-11(19)25/h3H2,1-2H3,(H,14,24)(H,15,25)(H,16,20)(H,17,21)
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antibodypedia
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UniChem
PCBioAssay
n/an/a 5.00E+4n/an/an/an/an/an/a



Sanford-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 (2009)


BindingDB Entry DOI: 10.7270/Q2C827QV
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM34855
PNG
(MLS000699314 | N,N'-bis(5-keto-6-methyl-3-thioxo-2...)
Show SMILES Cc1n[nH]c(=S)n(NC(=O)CC(=O)Nn2c(=S)[nH]nc(C)c2=O)c1=O
Show InChI InChI=1S/C11H12N8O4S2/c1-4-8(22)18(10(24)14-12-4)16-6(20)3-7(21)17-19-9(23)5(2)13-15-11(19)25/h3H2,1-2H3,(H,14,24)(H,15,25)(H,16,20)(H,17,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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UniChem
PCBioAssay
n/an/a>1.18E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM34855
PNG
(MLS000699314 | N,N'-bis(5-keto-6-methyl-3-thioxo-2...)
Show SMILES Cc1n[nH]c(=S)n(NC(=O)CC(=O)Nn2c(=S)[nH]nc(C)c2=O)c1=O
Show InChI InChI=1S/C11H12N8O4S2/c1-4-8(22)18(10(24)14-12-4)16-6(20)3-7(21)17-19-9(23)5(2)13-15-11(19)25/h3H2,1-2H3,(H,14,24)(H,15,25)(H,16,20)(H,17,21)
PDB

UniProtKB/SwissProt

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UniChem
PCBioAssay
n/an/a 1.11E+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/Q20P0XHD
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM34855
PNG
(MLS000699314 | N,N'-bis(5-keto-6-methyl-3-thioxo-2...)
Show SMILES Cc1n[nH]c(=S)n(NC(=O)CC(=O)Nn2c(=S)[nH]nc(C)c2=O)c1=O
Show InChI InChI=1S/C11H12N8O4S2/c1-4-8(22)18(10(24)14-12-4)16-6(20)3-7(21)17-19-9(23)5(2)13-15-11(19)25/h3H2,1-2H3,(H,14,24)(H,15,25)(H,16,20)(H,17,21)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>6.66E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2NG4P4X
More data for this
Ligand-Target Pair