BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 336.3
BDBM55036
Purchase

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

Found 6 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)
BDBM55036
PNG
((5E)-1-(3,4-dimethylphenyl)-5-[(E)-3-(2-furanyl)pr...)
Show SMILES Cc1ccc(cc1C)N1C(=O)NC(=O)C(=CC=Cc2ccco2)C1=O |w:15.16,17.18|
Show InChI InChI=1S/C19H16N2O4/c1-12-8-9-14(11-13(12)2)21-18(23)16(17(22)20-19(21)24)7-3-5-15-6-4-10-25-15/h3-11H,1-2H3,(H,20,22,24)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 880n/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)
BDBM55036
PNG
((5E)-1-(3,4-dimethylphenyl)-5-[(E)-3-(2-furanyl)pr...)
Show SMILES Cc1ccc(cc1C)N1C(=O)NC(=O)C(=CC=Cc2ccco2)C1=O |w:15.16,17.18|
Show InChI InChI=1S/C19H16N2O4/c1-12-8-9-14(11-13(12)2)21-18(23)16(17(22)20-19(21)24)7-3-5-15-6-4-10-25-15/h3-11H,1-2H3,(H,20,22,24)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 880n/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))
BDBM55036
PNG
((5E)-1-(3,4-dimethylphenyl)-5-[(E)-3-(2-furanyl)pr...)
Show SMILES Cc1ccc(cc1C)N1C(=O)NC(=O)C(=CC=Cc2ccco2)C1=O |w:15.16,17.18|
Show InChI InChI=1S/C19H16N2O4/c1-12-8-9-14(11-13(12)2)21-18(23)16(17(22)20-19(21)24)7-3-5-15-6-4-10-25-15/h3-11H,1-2H3,(H,20,22,24)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

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
Genome polyprotein


(Hepatitis C virus)
BDBM55036
PNG
((5E)-1-(3,4-dimethylphenyl)-5-[(E)-3-(2-furanyl)pr...)
Show SMILES Cc1ccc(cc1C)N1C(=O)NC(=O)C(=CC=Cc2ccco2)C1=O |w:15.16,17.18|
Show InChI InChI=1S/C19H16N2O4/c1-12-8-9-14(11-13(12)2)21-18(23)16(17(22)20-19(21)24)7-3-5-15-6-4-10-25-15/h3-11H,1-2H3,(H,20,22,24)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.44E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Mus musculus)
BDBM55036
PNG
((5E)-1-(3,4-dimethylphenyl)-5-[(E)-3-(2-furanyl)pr...)
Show SMILES Cc1ccc(cc1C)N1C(=O)NC(=O)C(=CC=Cc2ccco2)C1=O |w:15.16,17.18|
Show InChI InChI=1S/C19H16N2O4/c1-12-8-9-14(11-13(12)2)21-18(23)16(17(22)20-19(21)24)7-3-5-15-6-4-10-25-15/h3-11H,1-2H3,(H,20,22,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 4.85E+3n/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: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Large T antigen


(Simian virus 40)
BDBM55036
PNG
((5E)-1-(3,4-dimethylphenyl)-5-[(E)-3-(2-furanyl)pr...)
Show SMILES Cc1ccc(cc1C)N1C(=O)NC(=O)C(=CC=Cc2ccco2)C1=O |w:15.16,17.18|
Show InChI InChI=1S/C19H16N2O4/c1-12-8-9-14(11-13(12)2)21-18(23)16(17(22)20-19(21)24)7-3-5-15-6-4-10-25-15/h3-11H,1-2H3,(H,20,22,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a<100n/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair