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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 342.2
BDBM67828

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

Found 7 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))
BDBM67828
PNG
(2,3,5,6-tetrafluoro-N-(thiophen-2-ylmethylideneami...)
Show SMILES Fc1c(F)c(c(F)c(F)c1N=NCc1cccs1)C(F)(F)F |w:10.10|
Show InChI InChI=1S/C12H5F7N2S/c13-7-6(12(17,18)19)8(14)10(16)11(9(7)15)21-20-4-5-2-1-3-22-5/h1-3H,4H2
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 3.56E+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/Q2NK3CGB
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM67828
PNG
(2,3,5,6-tetrafluoro-N-(thiophen-2-ylmethylideneami...)
Show SMILES Fc1c(F)c(c(F)c(F)c1N=NCc1cccs1)C(F)(F)F |w:10.10|
Show InChI InChI=1S/C12H5F7N2S/c13-7-6(12(17,18)19)8(14)10(16)11(9(7)15)21-20-4-5-2-1-3-22-5/h1-3H,4H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 4.68E+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)
BDBM67828
PNG
(2,3,5,6-tetrafluoro-N-(thiophen-2-ylmethylideneami...)
Show SMILES Fc1c(F)c(c(F)c(F)c1N=NCc1cccs1)C(F)(F)F |w:10.10|
Show InChI InChI=1S/C12H5F7N2S/c13-7-6(12(17,18)19)8(14)10(16)11(9(7)15)21-20-4-5-2-1-3-22-5/h1-3H,4H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 4.68E+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
Mitochondrial import inner membrane translocase subunit TIM23


(Saccharomyces cerevisiae S288c)
BDBM67828
PNG
(2,3,5,6-tetrafluoro-N-(thiophen-2-ylmethylideneami...)
Show SMILES Fc1c(F)c(c(F)c(F)c1N=NCc1cccs1)C(F)(F)F |w:10.10|
Show InChI InChI=1S/C12H5F7N2S/c13-7-6(12(17,18)19)8(14)10(16)11(9(7)15)21-20-4-5-2-1-3-22-5/h1-3H,4H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 7.37E+3n/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
Mitochondrial import inner membrane translocase subunit TIM10


(Saccharomyces cerevisiae S288c)
BDBM67828
PNG
(2,3,5,6-tetrafluoro-N-(thiophen-2-ylmethylideneami...)
Show SMILES Fc1c(F)c(c(F)c(F)c1N=NCc1cccs1)C(F)(F)F |w:10.10|
Show InChI InChI=1S/C12H5F7N2S/c13-7-6(12(17,18)19)8(14)10(16)11(9(7)15)21-20-4-5-2-1-3-22-5/h1-3H,4H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM67828
PNG
(2,3,5,6-tetrafluoro-N-(thiophen-2-ylmethylideneami...)
Show SMILES Fc1c(F)c(c(F)c(F)c1N=NCc1cccs1)C(F)(F)F |w:10.10|
Show InChI InChI=1S/C12H5F7N2S/c13-7-6(12(17,18)19)8(14)10(16)11(9(7)15)21-20-4-5-2-1-3-22-5/h1-3H,4H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 6.95E+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: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2DV1HJQ
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))
BDBM67828
PNG
(2,3,5,6-tetrafluoro-N-(thiophen-2-ylmethylideneami...)
Show SMILES Fc1c(F)c(c(F)c(F)c1N=NCc1cccs1)C(F)(F)F |w:10.10|
Show InChI InChI=1S/C12H5F7N2S/c13-7-6(12(17,18)19)8(14)10(16)11(9(7)15)21-20-4-5-2-1-3-22-5/h1-3H,4H2
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 6.95E+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: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2930RT9
More data for this
Ligand-Target Pair