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BDBM50526 2-thioxodihydropyrimidine-4,5,6(1H)-trione 5-[(3-nitro-1,1'-biphenyl-4-yl)hydrazone]::5-[(2-nitro-4-phenyl-phenyl)hydrazinylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione::5-[(2-nitro-4-phenyl-phenyl)hydrazono]-2-thioxo-hexahydropyrimidine-4,6-quinone::5-[(2-nitro-4-phenylphenyl)hydrazinylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione::MLS000719967::SMR000304496::cid_6255619

SMILES: [O-][N+](=O)c1cc(ccc1[NH+]=N[c-]1c(=O)[nH]c(=S)[nH]c1=O)-c1ccccc1

InChI Key: InChIKey=HGYLMFDNVREPIJ-UHFFFAOYSA-O

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 = 50526   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50526
PNG
(2-thioxodihydropyrimidine-4,5,6(1H)-trione 5-[(3-n...)
Show SMILES [O-][N+](=O)c1cc(ccc1[NH+]=N[c-]1c(=O)[nH]c(=S)[nH]c1=O)-c1ccccc1
Show InChI InChI=1S/C16H10N5O4S/c22-14-13(15(23)18-16(26)17-14)20-19-11-7-6-10(8-12(11)21(24)25)9-4-2-1-3-5-9/h1-8H,(H2,17,18,22,23,26)/q-1/p+1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.83E+3n/an/an/an/an/an/a



Emory University

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23X8539
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2I


(Homo sapiens (Human))
BDBM50526
PNG
(2-thioxodihydropyrimidine-4,5,6(1H)-trione 5-[(3-n...)
Show SMILES [O-][N+](=O)c1cc(ccc1[NH+]=N[c-]1c(=O)[nH]c(=S)[nH]c1=O)-c1ccccc1
Show InChI InChI=1S/C16H10N5O4S/c22-14-13(15(23)18-16(26)17-14)20-19-11-7-6-10(8-12(11)21(24)25)9-4-2-1-3-5-9/h1-8H,(H2,17,18,22,23,26)/q-1/p+1
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n/an/a 4.11E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2V986G8
More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens (Human))
BDBM50526
PNG
(2-thioxodihydropyrimidine-4,5,6(1H)-trione 5-[(3-n...)
Show SMILES [O-][N+](=O)c1cc(ccc1[NH+]=N[c-]1c(=O)[nH]c(=S)[nH]c1=O)-c1ccccc1
Show InChI InChI=1S/C16H10N5O4S/c22-14-13(15(23)18-16(26)17-14)20-19-11-7-6-10(8-12(11)21(24)25)9-4-2-1-3-5-9/h1-8H,(H2,17,18,22,23,26)/q-1/p+1
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n/an/a 2.24E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2BP0175
More data for this
Ligand-Target Pair
Zinc aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM50526
PNG
(2-thioxodihydropyrimidine-4,5,6(1H)-trione 5-[(3-n...)
Show SMILES [O-][N+](=O)c1cc(ccc1[NH+]=N[c-]1c(=O)[nH]c(=S)[nH]c1=O)-c1ccccc1
Show InChI InChI=1S/C16H10N5O4S/c22-14-13(15(23)18-16(26)17-14)20-19-11-7-6-10(8-12(11)21(24)25)9-4-2-1-3-5-9/h1-8H,(H2,17,18,22,23,26)/q-1/p+1
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n/an/a 1.05E+4n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens (Human))
BDBM50526
PNG
(2-thioxodihydropyrimidine-4,5,6(1H)-trione 5-[(3-n...)
Show SMILES [O-][N+](=O)c1cc(ccc1[NH+]=N[c-]1c(=O)[nH]c(=S)[nH]c1=O)-c1ccccc1
Show InChI InChI=1S/C16H10N5O4S/c22-14-13(15(23)18-16(26)17-14)20-19-11-7-6-10(8-12(11)21(24)25)9-4-2-1-3-5-9/h1-8H,(H2,17,18,22,23,26)/q-1/p+1
PDB
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n/an/a 8.05E+3n/an/an/an/an/an/a



Emory University

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2M90723
More data for this
Ligand-Target Pair