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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 415.3
BDBM63115

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

Found 4 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)
BDBM63115
PNG
(MLS000579087 | N-[(Z)-2-(4-bromophenyl)-1-(5-sulfa...)
Show SMILES Cc1ccc(cc1)C(=O)NC(=Cc1ccc(Br)cc1)c1n[nH]c(=S)[nH]1 |w:11.12|
Show InChI InChI=1S/C18H13BrN4OS/c1-11-2-6-13(7-3-11)17(24)20-15(16-21-18(25)23-22-16)10-12-4-8-14(19)9-5-12/h2-10H,1H3,(H,20,24)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 9.38E+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)
BDBM63115
PNG
(MLS000579087 | N-[(Z)-2-(4-bromophenyl)-1-(5-sulfa...)
Show SMILES Cc1ccc(cc1)C(=O)NC(=Cc1ccc(Br)cc1)c1n[nH]c(=S)[nH]1 |w:11.12|
Show InChI InChI=1S/C18H13BrN4OS/c1-11-2-6-13(7-3-11)17(24)20-15(16-21-18(25)23-22-16)10-12-4-8-14(19)9-5-12/h2-10H,1H3,(H,20,24)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 9.38E+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))
BDBM63115
PNG
(MLS000579087 | N-[(Z)-2-(4-bromophenyl)-1-(5-sulfa...)
Show SMILES Cc1ccc(cc1)C(=O)NC(=Cc1ccc(Br)cc1)c1n[nH]c(=S)[nH]1 |w:11.12|
Show InChI InChI=1S/C18H13BrN4OS/c1-11-2-6-13(7-3-11)17(24)20-15(16-21-18(25)23-22-16)10-12-4-8-14(19)9-5-12/h2-10H,1H3,(H,20,24)
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
Heat shock factor protein 1


(Mus musculus)
BDBM63115
PNG
(MLS000579087 | N-[(Z)-2-(4-bromophenyl)-1-(5-sulfa...)
Show SMILES Cc1ccc(cc1)C(=O)NC(=Cc1ccc(Br)cc1)c1n[nH]c(=S)[nH]1 |w:11.12|
Show InChI InChI=1S/C18H13BrN4OS/c1-11-2-6-13(7-3-11)17(24)20-15(16-21-18(25)23-22-16)10-12-4-8-14(19)9-5-12/h2-10H,1H3,(H,20,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>1.95E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair