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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 474.9
BDBM67755

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)
BDBM67755
PNG
(MLS000086329 | N-[5-(2-chlorophenyl)-1,3,4-oxadiaz...)
Show SMILES CCC1CCCCN1S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(o1)-c1ccccc1Cl
Show InChI InChI=1S/C22H23ClN4O4S/c1-2-16-7-5-6-14-27(16)32(29,30)17-12-10-15(11-13-17)20(28)24-22-26-25-21(31-22)18-8-3-4-9-19(18)23/h3-4,8-13,16H,2,5-7,14H2,1H3,(H,24,26,28)
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)
BDBM67755
PNG
(MLS000086329 | N-[5-(2-chlorophenyl)-1,3,4-oxadiaz...)
Show SMILES CCC1CCCCN1S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(o1)-c1ccccc1Cl
Show InChI InChI=1S/C22H23ClN4O4S/c1-2-16-7-5-6-14-27(16)32(29,30)17-12-10-15(11-13-17)20(28)24-22-26-25-21(31-22)18-8-3-4-9-19(18)23/h3-4,8-13,16H,2,5-7,14H2,1H3,(H,24,26,28)
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))
BDBM67755
PNG
(MLS000086329 | N-[5-(2-chlorophenyl)-1,3,4-oxadiaz...)
Show SMILES CCC1CCCCN1S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(o1)-c1ccccc1Cl
Show InChI InChI=1S/C22H23ClN4O4S/c1-2-16-7-5-6-14-27(16)32(29,30)17-12-10-15(11-13-17)20(28)24-22-26-25-21(31-22)18-8-3-4-9-19(18)23/h3-4,8-13,16H,2,5-7,14H2,1H3,(H,24,26,28)
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