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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 301.3
BDBM48292
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 6 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)
BDBM48292
PNG
(MLS000533118 | N-[5-(2-furanyl)-1,3,4-thiadiazol-2...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nnc(s1)-c1ccco1
Show InChI InChI=1S/C14H11N3O3S/c1-19-10-6-4-9(5-7-10)12(18)15-14-17-16-13(21-14)11-3-2-8-20-11/h2-8H,1H3,(H,15,17,18)
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 8.20E+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
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM48292
PNG
(MLS000533118 | N-[5-(2-furanyl)-1,3,4-thiadiazol-2...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nnc(s1)-c1ccco1
Show InChI InChI=1S/C14H11N3O3S/c1-19-10-6-4-9(5-7-10)12(18)15-14-17-16-13(21-14)11-3-2-8-20-11/h2-8H,1H3,(H,15,17,18)
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 8.20E+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
X-box-binding protein 1


(Homo sapiens (Human))
BDBM48292
PNG
(MLS000533118 | N-[5-(2-furanyl)-1,3,4-thiadiazol-2...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nnc(s1)-c1ccco1
Show InChI InChI=1S/C14H11N3O3S/c1-19-10-6-4-9(5-7-10)12(18)15-14-17-16-13(21-14)11-3-2-8-20-11/h2-8H,1H3,(H,15,17,18)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 9.25E+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
Nuclear receptor subfamily 0 group B member 1


(Homo sapiens (Human))
BDBM48292
PNG
(MLS000533118 | N-[5-(2-furanyl)-1,3,4-thiadiazol-2...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nnc(s1)-c1ccco1
Show InChI InChI=1S/C14H11N3O3S/c1-19-10-6-4-9(5-7-10)12(18)15-14-17-16-13(21-14)11-3-2-8-20-11/h2-8H,1H3,(H,15,17,18)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a>6.75E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23777B0
More data for this
Ligand-Target Pair
Steroidogenic factor 1


(Homo sapiens (Human))
BDBM48292
PNG
(MLS000533118 | N-[5-(2-furanyl)-1,3,4-thiadiazol-2...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nnc(s1)-c1ccco1
Show InChI InChI=1S/C14H11N3O3S/c1-19-10-6-4-9(5-7-10)12(18)15-14-17-16-13(21-14)11-3-2-8-20-11/h2-8H,1H3,(H,15,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a>6.75E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2ZG6QV9
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 [1-36]


(Homo sapiens (Human))
BDBM48292
PNG
(MLS000533118 | N-[5-(2-furanyl)-1,3,4-thiadiazol-2...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nnc(s1)-c1ccco1
Show InChI InChI=1S/C14H11N3O3S/c1-19-10-6-4-9(5-7-10)12(18)15-14-17-16-13(21-14)11-3-2-8-20-11/h2-8H,1H3,(H,15,17,18)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.73E+3n/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