BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 486.5
BDBM34405
Purchase

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)
BDBM34405
PNG
(4-(diisobutylsulfamoyl)-N-[5-(3-methoxyphenyl)-1,3...)
Show SMILES COc1cccc(c1)-c1nnc(NC(=O)c2ccc(cc2)S(=O)(=O)N(CC(C)C)CC(C)C)o1
Show InChI InChI=1S/C24H30N4O5S/c1-16(2)14-28(15-17(3)4)34(30,31)21-11-9-18(10-12-21)22(29)25-24-27-26-23(33-24)19-7-6-8-20(13-19)32-5/h6-13,16-17H,14-15H2,1-5H3,(H,25,27,29)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.56E+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)
BDBM34405
PNG
(4-(diisobutylsulfamoyl)-N-[5-(3-methoxyphenyl)-1,3...)
Show SMILES COc1cccc(c1)-c1nnc(NC(=O)c2ccc(cc2)S(=O)(=O)N(CC(C)C)CC(C)C)o1
Show InChI InChI=1S/C24H30N4O5S/c1-16(2)14-28(15-17(3)4)34(30,31)21-11-9-18(10-12-21)22(29)25-24-27-26-23(33-24)19-7-6-8-20(13-19)32-5/h6-13,16-17H,14-15H2,1-5H3,(H,25,27,29)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.56E+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...)
BDBM34405
PNG
(4-(diisobutylsulfamoyl)-N-[5-(3-methoxyphenyl)-1,3...)
Show SMILES COc1cccc(c1)-c1nnc(NC(=O)c2ccc(cc2)S(=O)(=O)N(CC(C)C)CC(C)C)o1
Show InChI InChI=1S/C24H30N4O5S/c1-16(2)14-28(15-17(3)4)34(30,31)21-11-9-18(10-12-21)22(29)25-24-27-26-23(33-24)19-7-6-8-20(13-19)32-5/h6-13,16-17H,14-15H2,1-5H3,(H,25,27,29)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.77E+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
X-box-binding protein 1


(Homo sapiens (Human))
BDBM34405
PNG
(4-(diisobutylsulfamoyl)-N-[5-(3-methoxyphenyl)-1,3...)
Show SMILES COc1cccc(c1)-c1nnc(NC(=O)c2ccc(cc2)S(=O)(=O)N(CC(C)C)CC(C)C)o1
Show InChI InChI=1S/C24H30N4O5S/c1-16(2)14-28(15-17(3)4)34(30,31)21-11-9-18(10-12-21)22(29)25-24-27-26-23(33-24)19-7-6-8-20(13-19)32-5/h6-13,16-17H,14-15H2,1-5H3,(H,25,27,29)
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