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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 369.5
BDBM57108

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
X-box-binding protein 1


(Homo sapiens (Human))
BDBM57108
PNG
((2E)-3-chloranyl-2-[(2,4-dichlorophenyl)-nitroso-m...)
Show SMILES FC(F)(F)c1cnc(C(N=O)c2ccc(Cl)cc2Cl)c(Cl)c1
Show InChI InChI=1S/C13H6Cl3F3N2O/c14-7-1-2-8(9(15)4-7)11(21-22)12-10(16)3-6(5-20-12)13(17,18)19/h1-5,11H
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.76E+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)
BDBM57108
PNG
((2E)-3-chloranyl-2-[(2,4-dichlorophenyl)-nitroso-m...)
Show SMILES FC(F)(F)c1cnc(C(N=O)c2ccc(Cl)cc2Cl)c(Cl)c1
Show InChI InChI=1S/C13H6Cl3F3N2O/c14-7-1-2-8(9(15)4-7)11(21-22)12-10(16)3-6(5-20-12)13(17,18)19/h1-5,11H
KEGG

UniProtKB/SwissProt

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 (2010)


BindingDB Entry DOI: 10.7270/Q2PC30VZ
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM57108
PNG
((2E)-3-chloranyl-2-[(2,4-dichlorophenyl)-nitroso-m...)
Show SMILES FC(F)(F)c1cnc(C(N=O)c2ccc(Cl)cc2Cl)c(Cl)c1
Show InChI InChI=1S/C13H6Cl3F3N2O/c14-7-1-2-8(9(15)4-7)11(21-22)12-10(16)3-6(5-20-12)13(17,18)19/h1-5,11H
KEGG

UniProtKB/SwissProt

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/Q28C9TQN
More data for this
Ligand-Target Pair
Mitochondrial import inner membrane translocase subunit TIM10


(Saccharomyces cerevisiae S288c)
BDBM57108
PNG
((2E)-3-chloranyl-2-[(2,4-dichlorophenyl)-nitroso-m...)
Show SMILES FC(F)(F)c1cnc(C(N=O)c2ccc(Cl)cc2Cl)c(Cl)c1
Show InChI InChI=1S/C13H6Cl3F3N2O/c14-7-1-2-8(9(15)4-7)11(21-22)12-10(16)3-6(5-20-12)13(17,18)19/h1-5,11H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.96E+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
Streptokinase A


(Streptococcus pyogenes M1 GAS)
BDBM57108
PNG
((2E)-3-chloranyl-2-[(2,4-dichlorophenyl)-nitroso-m...)
Show SMILES FC(F)(F)c1cnc(C(N=O)c2ccc(Cl)cc2Cl)c(Cl)c1
Show InChI InChI=1S/C13H6Cl3F3N2O/c14-7-1-2-8(9(15)4-7)11(21-22)12-10(16)3-6(5-20-12)13(17,18)19/h1-5,11H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 3.52E+4n/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
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM57108
PNG
((2E)-3-chloranyl-2-[(2,4-dichlorophenyl)-nitroso-m...)
Show SMILES FC(F)(F)c1cnc(C(N=O)c2ccc(Cl)cc2Cl)c(Cl)c1
Show InChI InChI=1S/C13H6Cl3F3N2O/c14-7-1-2-8(9(15)4-7)11(21-22)12-10(16)3-6(5-20-12)13(17,18)19/h1-5,11H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.11E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Xinmin Xie Assay Provider Affiliation: Bioscience Division, SRI International, Menlo Park, CA Grant Title: HTS Assay for Cav3 T-Type ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2B856KG
More data for this
Ligand-Target Pair