BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 370.4
BDBM34205

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

Found 5 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))
BDBM34205
PNG
(1-Hydroxy-3-oxo-6,7-dihydro-3H,5H-pyrido[3,2,1-ij]...)
Show SMILES CC(C)c1nnc(NC(=O)c2c(O)n3CCCc4cccc(c34)c2=O)s1
Show InChI InChI=1S/C18H18N4O3S/c1-9(2)16-20-21-18(26-16)19-15(24)12-14(23)11-7-3-5-10-6-4-8-22(13(10)11)17(12)25/h3,5,7,9,25H,4,6,8H2,1-2H3,(H,19,21,24)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.82E+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)
BDBM34205
PNG
(1-Hydroxy-3-oxo-6,7-dihydro-3H,5H-pyrido[3,2,1-ij]...)
Show SMILES CC(C)c1nnc(NC(=O)c2c(O)n3CCCc4cccc(c34)c2=O)s1
Show InChI InChI=1S/C18H18N4O3S/c1-9(2)16-20-21-18(26-16)19-15(24)12-14(23)11-7-3-5-10-6-4-8-22(13(10)11)17(12)25/h3,5,7,9,25H,4,6,8H2,1-2H3,(H,19,21,24)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.10E+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)
BDBM34205
PNG
(1-Hydroxy-3-oxo-6,7-dihydro-3H,5H-pyrido[3,2,1-ij]...)
Show SMILES CC(C)c1nnc(NC(=O)c2c(O)n3CCCc4cccc(c34)c2=O)s1
Show InChI InChI=1S/C18H18N4O3S/c1-9(2)16-20-21-18(26-16)19-15(24)12-14(23)11-7-3-5-10-6-4-8-22(13(10)11)17(12)25/h3,5,7,9,25H,4,6,8H2,1-2H3,(H,19,21,24)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.10E+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...)
BDBM34205
PNG
(1-Hydroxy-3-oxo-6,7-dihydro-3H,5H-pyrido[3,2,1-ij]...)
Show SMILES CC(C)c1nnc(NC(=O)c2c(O)n3CCCc4cccc(c34)c2=O)s1
Show InChI InChI=1S/C18H18N4O3S/c1-9(2)16-20-21-18(26-16)19-15(24)12-14(23)11-7-3-5-10-6-4-8-22(13(10)11)17(12)25/h3,5,7,9,25H,4,6,8H2,1-2H3,(H,19,21,24)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.49E+4n/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
Genome polyprotein


(West Nile virus)
BDBM34205
PNG
(1-Hydroxy-3-oxo-6,7-dihydro-3H,5H-pyrido[3,2,1-ij]...)
Show SMILES CC(C)c1nnc(NC(=O)c2c(O)n3CCCc4cccc(c34)c2=O)s1
Show InChI InChI=1S/C18H18N4O3S/c1-9(2)16-20-21-18(26-16)19-15(24)12-14(23)11-7-3-5-10-6-4-8-22(13(10)11)17(12)25/h3,5,7,9,25H,4,6,8H2,1-2H3,(H,19,21,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2222S6W
More data for this
Ligand-Target Pair