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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 323.3
BDBM67888
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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)
BDBM67888
PNG
((3-methylphenyl)(4-phenyl-3-quinolinyl)methanone |...)
Show SMILES Cc1cccc(c1)C(=O)c1cnc2ccccc2c1-c1ccccc1
Show InChI InChI=1S/C23H17NO/c1-16-8-7-11-18(14-16)23(25)20-15-24-21-13-6-5-12-19(21)22(20)17-9-3-2-4-10-17/h2-15H,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
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)
BDBM67888
PNG
((3-methylphenyl)(4-phenyl-3-quinolinyl)methanone |...)
Show SMILES Cc1cccc(c1)C(=O)c1cnc2ccccc2c1-c1ccccc1
Show InChI InChI=1S/C23H17NO/c1-16-8-7-11-18(14-16)23(25)20-15-24-21-13-6-5-12-19(21)22(20)17-9-3-2-4-10-17/h2-15H,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
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))
BDBM67888
PNG
((3-methylphenyl)(4-phenyl-3-quinolinyl)methanone |...)
Show SMILES Cc1cccc(c1)C(=O)c1cnc2ccccc2c1-c1ccccc1
Show InChI InChI=1S/C23H17NO/c1-16-8-7-11-18(14-16)23(25)20-15-24-21-13-6-5-12-19(21)22(20)17-9-3-2-4-10-17/h2-15H,1H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
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