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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 324.3
BDBM34245
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 7 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))
BDBM34245
PNG
(2-hydroxy-6-(piperidine-1-carbonyl)benzo[de]isoqui...)
Show SMILES ON1C(=O)c2cccc3c(ccc(C1=O)c23)C(=O)N1CCCCC1
Show InChI InChI=1S/C18H16N2O4/c21-16(19-9-2-1-3-10-19)12-7-8-14-15-11(12)5-4-6-13(15)17(22)20(24)18(14)23/h4-8,24H,1-3,9-10H2
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 500n/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
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2)


(Homo sapiens (Human))
BDBM34245
PNG
(2-hydroxy-6-(piperidine-1-carbonyl)benzo[de]isoqui...)
Show SMILES ON1C(=O)c2cccc3c(ccc(C1=O)c23)C(=O)N1CCCCC1
Show InChI InChI=1S/C18H16N2O4/c21-16(19-9-2-1-3-10-19)12-7-8-14-15-11(12)5-4-6-13(15)17(22)20(24)18(14)23/h4-8,24H,1-3,9-10H2
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a>1.22E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Steroidogenic factor 1


(Homo sapiens (Human))
BDBM34245
PNG
(2-hydroxy-6-(piperidine-1-carbonyl)benzo[de]isoqui...)
Show SMILES ON1C(=O)c2cccc3c(ccc(C1=O)c23)C(=O)N1CCCCC1
Show InChI InChI=1S/C18H16N2O4/c21-16(19-9-2-1-3-10-19)12-7-8-14-15-11(12)5-4-6-13(15)17(22)20(24)18(14)23/h4-8,24H,1-3,9-10H2
PDB
MMDB

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UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.92E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2319T8T
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM34245
PNG
(2-hydroxy-6-(piperidine-1-carbonyl)benzo[de]isoqui...)
Show SMILES ON1C(=O)c2cccc3c(ccc(C1=O)c23)C(=O)N1CCCCC1
Show InChI InChI=1S/C18H16N2O4/c21-16(19-9-2-1-3-10-19)12-7-8-14-15-11(12)5-4-6-13(15)17(22)20(24)18(14)23/h4-8,24H,1-3,9-10H2
KEGG

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 3.86E+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)
BDBM34245
PNG
(2-hydroxy-6-(piperidine-1-carbonyl)benzo[de]isoqui...)
Show SMILES ON1C(=O)c2cccc3c(ccc(C1=O)c23)C(=O)N1CCCCC1
Show InChI InChI=1S/C18H16N2O4/c21-16(19-9-2-1-3-10-19)12-7-8-14-15-11(12)5-4-6-13(15)17(22)20(24)18(14)23/h4-8,24H,1-3,9-10H2
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UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 3.86E+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
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM34245
PNG
(2-hydroxy-6-(piperidine-1-carbonyl)benzo[de]isoqui...)
Show SMILES ON1C(=O)c2cccc3c(ccc(C1=O)c23)C(=O)N1CCCCC1
Show InChI InChI=1S/C18H16N2O4/c21-16(19-9-2-1-3-10-19)12-7-8-14-15-11(12)5-4-6-13(15)17(22)20(24)18(14)23/h4-8,24H,1-3,9-10H2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 4.19E+3n/an/an/an/a8.023



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
A fluorescence resonance energy transfer assay is developed in 96-well and 384-well microplate formats with robotic manipulation to enable high-throu...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D5W
More data for this
Ligand-Target Pair
Protein artemis


(Homo sapiens (Human))
BDBM34245
PNG
(2-hydroxy-6-(piperidine-1-carbonyl)benzo[de]isoqui...)
Show SMILES ON1C(=O)c2cccc3c(ccc(C1=O)c23)C(=O)N1CCCCC1
Show InChI InChI=1S/C18H16N2O4/c21-16(19-9-2-1-3-10-19)12-7-8-14-15-11(12)5-4-6-13(15)17(22)20(24)18(14)23/h4-8,24H,1-3,9-10H2
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.15E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2MC8XP5
More data for this
Ligand-Target Pair