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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 380.8
BDBM50315
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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)
BDBM50315
PNG
(1-[4-(5-chloranylthiophen-2-yl)-1,3-thiazol-2-yl]-...)
Show SMILES [O-][N+](=O)c1ccc(NC(=O)Nc2nc(cs2)-c2ccc(Cl)s2)cc1
Show InChI InChI=1S/C14H9ClN4O3S2/c15-12-6-5-11(24-12)10-7-23-14(17-10)18-13(20)16-8-1-3-9(4-2-8)19(21)22/h1-7H,(H2,16,17,18,20)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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KEGG
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.39E+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)
BDBM50315
PNG
(1-[4-(5-chloranylthiophen-2-yl)-1,3-thiazol-2-yl]-...)
Show SMILES [O-][N+](=O)c1ccc(NC(=O)Nc2nc(cs2)-c2ccc(Cl)s2)cc1
Show InChI InChI=1S/C14H9ClN4O3S2/c15-12-6-5-11(24-12)10-7-23-14(17-10)18-13(20)16-8-1-3-9(4-2-8)19(21)22/h1-7H,(H2,16,17,18,20)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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KEGG
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.39E+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))
BDBM50315
PNG
(1-[4-(5-chloranylthiophen-2-yl)-1,3-thiazol-2-yl]-...)
Show SMILES [O-][N+](=O)c1ccc(NC(=O)Nc2nc(cs2)-c2ccc(Cl)s2)cc1
Show InChI InChI=1S/C14H9ClN4O3S2/c15-12-6-5-11(24-12)10-7-23-14(17-10)18-13(20)16-8-1-3-9(4-2-8)19(21)22/h1-7H,(H2,16,17,18,20)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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KEGG
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.40E+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
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50315
PNG
(1-[4-(5-chloranylthiophen-2-yl)-1,3-thiazol-2-yl]-...)
Show SMILES [O-][N+](=O)c1ccc(NC(=O)Nc2nc(cs2)-c2ccc(Cl)s2)cc1
Show InChI InChI=1S/C14H9ClN4O3S2/c15-12-6-5-11(24-12)10-7-23-14(17-10)18-13(20)16-8-1-3-9(4-2-8)19(21)22/h1-7H,(H2,16,17,18,20)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
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KEGG
PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 5.32E+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: Nikolovska-Coleska, Univer...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23X8539
More data for this
Ligand-Target Pair
Streptokinase A


(Streptococcus pyogenes M1 GAS)
BDBM50315
PNG
(1-[4-(5-chloranylthiophen-2-yl)-1,3-thiazol-2-yl]-...)
Show SMILES [O-][N+](=O)c1ccc(NC(=O)Nc2nc(cs2)-c2ccc(Cl)s2)cc1
Show InChI InChI=1S/C14H9ClN4O3S2/c15-12-6-5-11(24-12)10-7-23-14(17-10)18-13(20)16-8-1-3-9(4-2-8)19(21)22/h1-7H,(H2,16,17,18,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 4.48E+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