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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 363.1
BDBM52416
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 5 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)
BDBM52416
PNG
(MLS000571384 | N'-{[5-(2,3-dichlorophenyl)-2-f...)
Show SMILES Cc1cc([nH]n1)C(=O)NN=Cc1ccc(o1)-c1cccc(Cl)c1Cl |w:9.9|
Show InChI InChI=1S/C16H12Cl2N4O2/c1-9-7-13(21-20-9)16(23)22-19-8-10-5-6-14(24-10)11-3-2-4-12(17)15(11)18/h2-8H,1H3,(H,20,21)(H,22,23)
KEGG

UniProtKB/SwissProt

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PC sid
UniChem

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PCBioAssay
n/an/a 5.18E+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)
BDBM52416
PNG
(MLS000571384 | N'-{[5-(2,3-dichlorophenyl)-2-f...)
Show SMILES Cc1cc([nH]n1)C(=O)NN=Cc1ccc(o1)-c1cccc(Cl)c1Cl |w:9.9|
Show InChI InChI=1S/C16H12Cl2N4O2/c1-9-7-13(21-20-9)16(23)22-19-8-10-5-6-14(24-10)11-3-2-4-12(17)15(11)18/h2-8H,1H3,(H,20,21)(H,22,23)
KEGG

UniProtKB/SwissProt

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PC sid
UniChem

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PCBioAssay
n/an/a 5.18E+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
X-box-binding protein 1


(Homo sapiens (Human))
BDBM52416
PNG
(MLS000571384 | N'-{[5-(2,3-dichlorophenyl)-2-f...)
Show SMILES Cc1cc([nH]n1)C(=O)NN=Cc1ccc(o1)-c1cccc(Cl)c1Cl |w:9.9|
Show InChI InChI=1S/C16H12Cl2N4O2/c1-9-7-13(21-20-9)16(23)22-19-8-10-5-6-14(24-10)11-3-2-4-12(17)15(11)18/h2-8H,1H3,(H,20,21)(H,22,23)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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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
Zinc finger protein mex-5


(Caenorhabditis elegans)
BDBM52416
PNG
(MLS000571384 | N'-{[5-(2,3-dichlorophenyl)-2-f...)
Show SMILES Cc1cc([nH]n1)C(=O)NN=Cc1ccc(o1)-c1cccc(Cl)c1Cl |w:9.9|
Show InChI InChI=1S/C16H12Cl2N4O2/c1-9-7-13(21-20-9)16(23)22-19-8-10-5-6-14(24-10)11-3-2-4-12(17)15(11)18/h2-8H,1H3,(H,20,21)(H,22,23)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
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PCBioAssay
n/an/an/an/a 1.02E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2D798VP
More data for this
Ligand-Target Pair
POsterior Segregation


(Caenorhabditis elegans)
BDBM52416
PNG
(MLS000571384 | N'-{[5-(2,3-dichlorophenyl)-2-f...)
Show SMILES Cc1cc([nH]n1)C(=O)NN=Cc1ccc(o1)-c1cccc(Cl)c1Cl |w:9.9|
Show InChI InChI=1S/C16H12Cl2N4O2/c1-9-7-13(21-20-9)16(23)22-19-8-10-5-6-14(24-10)11-3-2-4-12(17)15(11)18/h2-8H,1H3,(H,20,21)(H,22,23)
PDB

KEGG

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 2.83E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q28G8J4C
More data for this
Ligand-Target Pair