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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 278.3
BDBM48293
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 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)
BDBM48293
PNG
(MLS000566821 | N-(1,3-thiazol-2-yl)-5,6,7,8-tetrah...)
Show SMILES O=C(Nc1nccs1)c1cc2CCCCCc2s1
Show InChI InChI=1S/C13H14N2OS2/c16-12(15-13-14-6-7-17-13)11-8-9-4-2-1-3-5-10(9)18-11/h6-8H,1-5H2,(H,14,15,16)
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.08E+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)
BDBM48293
PNG
(MLS000566821 | N-(1,3-thiazol-2-yl)-5,6,7,8-tetrah...)
Show SMILES O=C(Nc1nccs1)c1cc2CCCCCc2s1
Show InChI InChI=1S/C13H14N2OS2/c16-12(15-13-14-6-7-17-13)11-8-9-4-2-1-3-5-10(9)18-11/h6-8H,1-5H2,(H,14,15,16)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.08E+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))
BDBM48293
PNG
(MLS000566821 | N-(1,3-thiazol-2-yl)-5,6,7,8-tetrah...)
Show SMILES O=C(Nc1nccs1)c1cc2CCCCCc2s1
Show InChI InChI=1S/C13H14N2OS2/c16-12(15-13-14-6-7-17-13)11-8-9-4-2-1-3-5-10(9)18-11/h6-8H,1-5H2,(H,14,15,16)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 7.17E+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
Matrix metalloproteinase-14 [1-36]


(Homo sapiens (Human))
BDBM48293
PNG
(MLS000566821 | N-(1,3-thiazol-2-yl)-5,6,7,8-tetrah...)
Show SMILES O=C(Nc1nccs1)c1cc2CCCCCc2s1
Show InChI InChI=1S/C13H14N2OS2/c16-12(15-13-14-6-7-17-13)11-8-9-4-2-1-3-5-10(9)18-11/h6-8H,1-5H2,(H,14,15,16)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 550n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair