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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 444.4
BDBM67719

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

Found 3 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
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM67719
PNG
(MLS000027452 | N-[1,3-benzoxazol-2-ylimino-[[(2-me...)
Show SMILES [#6]-[#8]-c1ccccc1-[#6](=O)-[#7]\[#6](-[#7]-[#6](=O)-c1ccccc1-[#8]-[#6])=[#7]/c1nc2ccccc2o1
Show InChI InChI=1S/C24H20N4O5/c1-31-18-12-6-3-9-15(18)21(29)26-23(27-22(30)16-10-4-7-13-19(16)32-2)28-24-25-17-11-5-8-14-20(17)33-24/h3-14H,1-2H3,(H2,25,26,27,28,29,30)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>1.00E+4n/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)
BDBM67719
PNG
(MLS000027452 | N-[1,3-benzoxazol-2-ylimino-[[(2-me...)
Show SMILES [#6]-[#8]-c1ccccc1-[#6](=O)-[#7]\[#6](-[#7]-[#6](=O)-c1ccccc1-[#8]-[#6])=[#7]/c1nc2ccccc2o1
Show InChI InChI=1S/C24H20N4O5/c1-31-18-12-6-3-9-15(18)21(29)26-23(27-22(30)16-10-4-7-13-19(16)32-2)28-24-25-17-11-5-8-14-20(17)33-24/h3-14H,1-2H3,(H2,25,26,27,28,29,30)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>1.00E+4n/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
X-box-binding protein 1


(Homo sapiens (Human))
BDBM67719
PNG
(MLS000027452 | N-[1,3-benzoxazol-2-ylimino-[[(2-me...)
Show SMILES [#6]-[#8]-c1ccccc1-[#6](=O)-[#7]\[#6](-[#7]-[#6](=O)-c1ccccc1-[#8]-[#6])=[#7]/c1nc2ccccc2o1
Show InChI InChI=1S/C24H20N4O5/c1-31-18-12-6-3-9-15(18)21(29)26-23(27-22(30)16-10-4-7-13-19(16)32-2)28-24-25-17-11-5-8-14-20(17)33-24/h3-14H,1-2H3,(H2,25,26,27,28,29,30)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.00E+4n/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