BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 453.5
BDBM52441

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 5 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
X-box-binding protein 1


(Homo sapiens (Human))
BDBM52441
PNG
(2-[(2,4,6-Trioxo-1-m-tolyl-tetrahydro-pyrimidin-5-...)
Show SMILES CCOC(=O)c1c2CCCCc2sc1N=Cc1c(O)n(-c2cccc(C)c2)c(=O)[nH]c1=O |w:14.15|
Show InChI InChI=1S/C23H23N3O5S/c1-3-31-22(29)18-15-9-4-5-10-17(15)32-20(18)24-12-16-19(27)25-23(30)26(21(16)28)14-8-6-7-13(2)11-14/h6-8,11-12,28H,3-5,9-10H2,1-2H3,(H,25,27,30)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 160n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NK3CGB
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM52441
PNG
(2-[(2,4,6-Trioxo-1-m-tolyl-tetrahydro-pyrimidin-5-...)
Show SMILES CCOC(=O)c1c2CCCCc2sc1N=Cc1c(O)n(-c2cccc(C)c2)c(=O)[nH]c1=O |w:14.15|
Show InChI InChI=1S/C23H23N3O5S/c1-3-31-22(29)18-15-9-4-5-10-17(15)32-20(18)24-12-16-19(27)25-23(30)26(21(16)28)14-8-6-7-13(2)11-14/h6-8,11-12,28H,3-5,9-10H2,1-2H3,(H,25,27,30)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 1.64E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PC30VZ
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM52441
PNG
(2-[(2,4,6-Trioxo-1-m-tolyl-tetrahydro-pyrimidin-5-...)
Show SMILES CCOC(=O)c1c2CCCCc2sc1N=Cc1c(O)n(-c2cccc(C)c2)c(=O)[nH]c1=O |w:14.15|
Show InChI InChI=1S/C23H23N3O5S/c1-3-31-22(29)18-15-9-4-5-10-17(15)32-20(18)24-12-16-19(27)25-23(30)26(21(16)28)14-8-6-7-13(2)11-14/h6-8,11-12,28H,3-5,9-10H2,1-2H3,(H,25,27,30)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 1.64E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q28C9TQN
More data for this
Ligand-Target Pair
POsterior Segregation


(Caenorhabditis elegans)
BDBM52441
PNG
(2-[(2,4,6-Trioxo-1-m-tolyl-tetrahydro-pyrimidin-5-...)
Show SMILES CCOC(=O)c1c2CCCCc2sc1N=Cc1c(O)n(-c2cccc(C)c2)c(=O)[nH]c1=O |w:14.15|
Show InChI InChI=1S/C23H23N3O5S/c1-3-31-22(29)18-15-9-4-5-10-17(15)32-20(18)24-12-16-19(27)25-23(30)26(21(16)28)14-8-6-7-13(2)11-14/h6-8,11-12,28H,3-5,9-10H2,1-2H3,(H,25,27,30)
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/an/an/a 3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q28G8J4C
More data for this
Ligand-Target Pair
Zinc finger protein mex-5


(Caenorhabditis elegans)
BDBM52441
PNG
(2-[(2,4,6-Trioxo-1-m-tolyl-tetrahydro-pyrimidin-5-...)
Show SMILES CCOC(=O)c1c2CCCCc2sc1N=Cc1c(O)n(-c2cccc(C)c2)c(=O)[nH]c1=O |w:14.15|
Show InChI InChI=1S/C23H23N3O5S/c1-3-31-22(29)18-15-9-4-5-10-17(15)32-20(18)24-12-16-19(27)25-23(30)26(21(16)28)14-8-6-7-13(2)11-14/h6-8,11-12,28H,3-5,9-10H2,1-2H3,(H,25,27,30)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/an/an/a 3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2D798VP
More data for this
Ligand-Target Pair