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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 450.3
BDBM57927
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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)
BDBM57927
PNG
(MLS000703244 | SMR000273708 | cid_1102900)
Show SMILES Oc1cccc(c1)-n1c(=O)c2ccc3c4c(ccc(c24)c1=O)c(=O)n(-c1cccc(O)c1)c3=O
Show InChI InChI=1S/C26H14N2O6/c29-15-5-1-3-13(11-15)27-23(31)17-7-9-19-22-20(10-8-18(21(17)22)24(27)32)26(34)28(25(19)33)14-4-2-6-16(30)12-14/h1-12,29-30H
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UniProtKB/SwissProt

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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/Q28C9TQN
More data for this
Ligand-Target Pair
X-box-binding protein 1


(Homo sapiens (Human))
BDBM57927
PNG
(MLS000703244 | SMR000273708 | cid_1102900)
Show SMILES Oc1cccc(c1)-n1c(=O)c2ccc3c4c(ccc(c24)c1=O)c(=O)n(-c1cccc(O)c1)c3=O
Show InChI InChI=1S/C26H14N2O6/c29-15-5-1-3-13(11-15)27-23(31)17-7-9-19-22-20(10-8-18(21(17)22)24(27)32)26(34)28(25(19)33)14-4-2-6-16(30)12-14/h1-12,29-30H
PDB

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UniProtKB/SwissProt

antibodypedia
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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
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM57927
PNG
(MLS000703244 | SMR000273708 | cid_1102900)
Show SMILES Oc1cccc(c1)-n1c(=O)c2ccc3c4c(ccc(c24)c1=O)c(=O)n(-c1cccc(O)c1)c3=O
Show InChI InChI=1S/C26H14N2O6/c29-15-5-1-3-13(11-15)27-23(31)17-7-9-19-22-20(10-8-18(21(17)22)24(27)32)26(34)28(25(19)33)14-4-2-6-16(30)12-14/h1-12,29-30H
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UniProtKB/SwissProt

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PC cid
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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 (2010)


BindingDB Entry DOI: 10.7270/Q2PC30VZ
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor superfamily member 10B


(Homo sapiens (Human))
BDBM57927
PNG
(MLS000703244 | SMR000273708 | cid_1102900)
Show SMILES Oc1cccc(c1)-n1c(=O)c2ccc3c4c(ccc(c24)c1=O)c(=O)n(-c1cccc(O)c1)c3=O
Show InChI InChI=1S/C26H14N2O6/c29-15-5-1-3-13(11-15)27-23(31)17-7-9-19-22-20(10-8-18(21(17)22)24(27)32)26(34)28(25(19)33)14-4-2-6-16(30)12-14/h1-12,29-30H
PDB
MMDB

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B.MOAD
antibodypedia
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n/an/an/an/a>1.25E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2P55M4P
More data for this
Ligand-Target Pair
Streptokinase A


(Streptococcus pyogenes M1 GAS)
BDBM57927
PNG
(MLS000703244 | SMR000273708 | cid_1102900)
Show SMILES Oc1cccc(c1)-n1c(=O)c2ccc3c4c(ccc(c24)c1=O)c(=O)n(-c1cccc(O)c1)c3=O
Show InChI InChI=1S/C26H14N2O6/c29-15-5-1-3-13(11-15)27-23(31)17-7-9-19-22-20(10-8-18(21(17)22)24(27)32)26(34)28(25(19)33)14-4-2-6-16(30)12-14/h1-12,29-30H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 1.50E+5n/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