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Target
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Compile Data Set for Download or QSAR
Marvin 2D Structure
The following exact ligands are found in BindingDB
Wt: 254.1
BDBM67867
Purchase
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
3
hits in this display
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
DNA damage-inducible transcript 3 protein
(Mus musculus)
BDBM67867
(5-chloranyl-2-(4-chloranylphenoxy)aniline;hydrochl...)
Show SMILES
Nc1cc(Cl)ccc1Oc1ccc(Cl)cc1
Show InChI
InChI=1S/C12H9Cl2NO/c13-8-1-4-10(5-2-8)16-12-6-3-9(14)7-11(12)15/h1-7H,15H2
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Similars
PCBioAssay
n/a
n/a
7.81E+3
n/a
n/a
n/a
n/a
n/a
n/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)
BDBM67867
(5-chloranyl-2-(4-chloranylphenoxy)aniline;hydrochl...)
Show SMILES
Nc1cc(Cl)ccc1Oc1ccc(Cl)cc1
Show InChI
InChI=1S/C12H9Cl2NO/c13-8-1-4-10(5-2-8)16-12-6-3-9(14)7-11(12)15/h1-7H,15H2
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Similars
PCBioAssay
n/a
n/a
7.81E+3
n/a
n/a
n/a
n/a
n/a
n/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))
BDBM67867
(5-chloranyl-2-(4-chloranylphenoxy)aniline;hydrochl...)
Show SMILES
Nc1cc(Cl)ccc1Oc1ccc(Cl)cc1
Show InChI
InChI=1S/C12H9Cl2NO/c13-8-1-4-10(5-2-8)16-12-6-3-9(14)7-11(12)15/h1-7H,15H2
PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Similars
PCBioAssay
n/a
n/a
1.00E+4
n/a
n/a
n/a
n/a
n/a
n/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