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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 433.8
BDBM67767
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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
X-box-binding protein 1


(Homo sapiens (Human))
BDBM67767
PNG
(6-chloranyl-3-[4-(furan-2-ylcarbonyl)piperazin-1-y...)
Show SMILES Clc1ccc2[nH]c(=O)c(N3CCN(CC3)C(=O)c3ccco3)c(-c3ccccc3)c2c1
Show InChI InChI=1S/C24H20ClN3O3/c25-17-8-9-19-18(15-17)21(16-5-2-1-3-6-16)22(23(29)26-19)27-10-12-28(13-11-27)24(30)20-7-4-14-31-20/h1-9,14-15H,10-13H2,(H,26,29)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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AffyNet 
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 9.35E+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
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM67767
PNG
(6-chloranyl-3-[4-(furan-2-ylcarbonyl)piperazin-1-y...)
Show SMILES Clc1ccc2[nH]c(=O)c(N3CCN(CC3)C(=O)c3ccco3)c(-c3ccccc3)c2c1
Show InChI InChI=1S/C24H20ClN3O3/c25-17-8-9-19-18(15-17)21(16-5-2-1-3-6-16)22(23(29)26-19)27-10-12-28(13-11-27)24(30)20-7-4-14-31-20/h1-9,14-15H,10-13H2,(H,26,29)
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
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM67767
PNG
(6-chloranyl-3-[4-(furan-2-ylcarbonyl)piperazin-1-y...)
Show SMILES Clc1ccc2[nH]c(=O)c(N3CCN(CC3)C(=O)c3ccco3)c(-c3ccccc3)c2c1
Show InChI InChI=1S/C24H20ClN3O3/c25-17-8-9-19-18(15-17)21(16-5-2-1-3-6-16)22(23(29)26-19)27-10-12-28(13-11-27)24(30)20-7-4-14-31-20/h1-9,14-15H,10-13H2,(H,26,29)
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