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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 364.4
BDBM57950

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)
BDBM57950
PNG
(3-methyl-1-(2-pyridinyl)-6-thiophen-2-yl-4-pyrazol...)
Show SMILES CCOC(=O)c1cc(nc2n(nc(C)c12)-c1ccccn1)-c1cccs1
Show InChI InChI=1S/C19H16N4O2S/c1-3-25-19(24)13-11-14(15-7-6-10-26-15)21-18-17(13)12(2)22-23(18)16-8-4-5-9-20-16/h4-11H,3H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 8.29E+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
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM57950
PNG
(3-methyl-1-(2-pyridinyl)-6-thiophen-2-yl-4-pyrazol...)
Show SMILES CCOC(=O)c1cc(nc2n(nc(C)c12)-c1ccccn1)-c1cccs1
Show InChI InChI=1S/C19H16N4O2S/c1-3-25-19(24)13-11-14(15-7-6-10-26-15)21-18-17(13)12(2)22-23(18)16-8-4-5-9-20-16/h4-11H,3H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 8.29E+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
X-box-binding protein 1


(Homo sapiens (Human))
BDBM57950
PNG
(3-methyl-1-(2-pyridinyl)-6-thiophen-2-yl-4-pyrazol...)
Show SMILES CCOC(=O)c1cc(nc2n(nc(C)c12)-c1ccccn1)-c1cccs1
Show InChI InChI=1S/C19H16N4O2S/c1-3-25-19(24)13-11-14(15-7-6-10-26-15)21-18-17(13)12(2)22-23(18)16-8-4-5-9-20-16/h4-11H,3H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

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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
Mitochondrial import inner membrane translocase subunit TIM10


(Saccharomyces cerevisiae S288c)
BDBM57950
PNG
(3-methyl-1-(2-pyridinyl)-6-thiophen-2-yl-4-pyrazol...)
Show SMILES CCOC(=O)c1cc(nc2n(nc(C)c12)-c1ccccn1)-c1cccs1
Show InChI InChI=1S/C19H16N4O2S/c1-3-25-19(24)13-11-14(15-7-6-10-26-15)21-18-17(13)12(2)22-23(18)16-8-4-5-9-20-16/h4-11H,3H2,1-2H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
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UniChem

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PCBioAssay
n/an/a 1.10E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2F18X6W
More data for this
Ligand-Target Pair
Mitochondrial import inner membrane translocase subunit TIM23


(Saccharomyces cerevisiae S288c)
BDBM57950
PNG
(3-methyl-1-(2-pyridinyl)-6-thiophen-2-yl-4-pyrazol...)
Show SMILES CCOC(=O)c1cc(nc2n(nc(C)c12)-c1ccccn1)-c1cccs1
Show InChI InChI=1S/C19H16N4O2S/c1-3-25-19(24)13-11-14(15-7-6-10-26-15)21-18-17(13)12(2)22-23(18)16-8-4-5-9-20-16/h4-11H,3H2,1-2H3
PDB

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KEGG

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 1.73E+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/Q26D5RGW
More data for this
Ligand-Target Pair
Streptokinase A


(Streptococcus pyogenes M1 GAS)
BDBM57950
PNG
(3-methyl-1-(2-pyridinyl)-6-thiophen-2-yl-4-pyrazol...)
Show SMILES CCOC(=O)c1cc(nc2n(nc(C)c12)-c1ccccn1)-c1cccs1
Show InChI InChI=1S/C19H16N4O2S/c1-3-25-19(24)13-11-14(15-7-6-10-26-15)21-18-17(13)12(2)22-23(18)16-8-4-5-9-20-16/h4-11H,3H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.22E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2736PBV
More data for this
Ligand-Target Pair