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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 375.3
BDBM67947
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 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)
BDBM67947
PNG
(MLS000575612 | N-bis(2-fluoranylphenoxy)phosphoryl...)
Show SMILES Cc1ccc(NP(=O)(Oc2ccccc2F)Oc2ccccc2F)cc1
Show InChI InChI=1S/C19H16F2NO3P/c1-14-10-12-15(13-11-14)22-26(23,24-18-8-4-2-6-16(18)20)25-19-9-5-3-7-17(19)21/h2-13H,1H3,(H,22,23)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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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)
BDBM67947
PNG
(MLS000575612 | N-bis(2-fluoranylphenoxy)phosphoryl...)
Show SMILES Cc1ccc(NP(=O)(Oc2ccccc2F)Oc2ccccc2F)cc1
Show InChI InChI=1S/C19H16F2NO3P/c1-14-10-12-15(13-11-14)22-26(23,24-18-8-4-2-6-16(18)20)25-19-9-5-3-7-17(19)21/h2-13H,1H3,(H,22,23)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

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
X-box-binding protein 1


(Homo sapiens (Human))
BDBM67947
PNG
(MLS000575612 | N-bis(2-fluoranylphenoxy)phosphoryl...)
Show SMILES Cc1ccc(NP(=O)(Oc2ccccc2F)Oc2ccccc2F)cc1
Show InChI InChI=1S/C19H16F2NO3P/c1-14-10-12-15(13-11-14)22-26(23,24-18-8-4-2-6-16(18)20)25-19-9-5-3-7-17(19)21/h2-13H,1H3,(H,22,23)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

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