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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 358.3
BDBM67875

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)
BDBM67875
PNG
(3-methyl-6-phenyl-1-(2-pyridinyl)-4-pyrazolo[3,4-b...)
Show SMILES CCOC(=O)c1cc(nc2n(nc(C)c12)-c1ccccn1)-c1ccccc1
Show InChI InChI=1S/C21H18N4O2/c1-3-27-21(26)16-13-17(15-9-5-4-6-10-15)23-20-19(16)14(2)24-25(20)18-11-7-8-12-22-18/h4-13H,3H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.48E+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)
BDBM67875
PNG
(3-methyl-6-phenyl-1-(2-pyridinyl)-4-pyrazolo[3,4-b...)
Show SMILES CCOC(=O)c1cc(nc2n(nc(C)c12)-c1ccccn1)-c1ccccc1
Show InChI InChI=1S/C21H18N4O2/c1-3-27-21(26)16-13-17(15-9-5-4-6-10-15)23-20-19(16)14(2)24-25(20)18-11-7-8-12-22-18/h4-13H,3H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.48E+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))
BDBM67875
PNG
(3-methyl-6-phenyl-1-(2-pyridinyl)-4-pyrazolo[3,4-b...)
Show SMILES CCOC(=O)c1cc(nc2n(nc(C)c12)-c1ccccn1)-c1ccccc1
Show InChI InChI=1S/C21H18N4O2/c1-3-27-21(26)16-13-17(15-9-5-4-6-10-15)23-20-19(16)14(2)24-25(20)18-11-7-8-12-22-18/h4-13H,3H2,1-2H3
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
Ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM67875
PNG
(3-methyl-6-phenyl-1-(2-pyridinyl)-4-pyrazolo[3,4-b...)
Show SMILES CCOC(=O)c1cc(nc2n(nc(C)c12)-c1ccccn1)-c1ccccc1
Show InChI InChI=1S/C21H18N4O2/c1-3-27-21(26)16-13-17(15-9-5-4-6-10-15)23-20-19(16)14(2)24-25(20)18-11-7-8-12-22-18/h4-13H,3H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>2.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2X34VX0
More data for this
Ligand-Target Pair