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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 297.1
BDBM67773
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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)
BDBM67773
PNG
(2-(2,4-dichlorophenoxy)-N-(2-pyridinyl)acetamide |...)
Show SMILES Clc1ccc(OCC(=O)Nc2ccccn2)c(Cl)c1
Show InChI InChI=1S/C13H10Cl2N2O2/c14-9-4-5-11(10(15)7-9)19-8-13(18)17-12-3-1-2-6-16-12/h1-7H,8H2,(H,16,17,18)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.78E+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)
BDBM67773
PNG
(2-(2,4-dichlorophenoxy)-N-(2-pyridinyl)acetamide |...)
Show SMILES Clc1ccc(OCC(=O)Nc2ccccn2)c(Cl)c1
Show InChI InChI=1S/C13H10Cl2N2O2/c14-9-4-5-11(10(15)7-9)19-8-13(18)17-12-3-1-2-6-16-12/h1-7H,8H2,(H,16,17,18)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.78E+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
X-box-binding protein 1


(Homo sapiens (Human))
BDBM67773
PNG
(2-(2,4-dichlorophenoxy)-N-(2-pyridinyl)acetamide |...)
Show SMILES Clc1ccc(OCC(=O)Nc2ccccn2)c(Cl)c1
Show InChI InChI=1S/C13H10Cl2N2O2/c14-9-4-5-11(10(15)7-9)19-8-13(18)17-12-3-1-2-6-16-12/h1-7H,8H2,(H,16,17,18)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.71E+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/Q2NK3CGB
More data for this
Ligand-Target Pair