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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 347.4
BDBM34406
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 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
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM34406
PNG
(4-(5-methyl-7-oxo-2-sulfanylidene-4H-thiazolo[4,5-...)
Show SMILES CCOC(=O)c1ccc(cc1)-n1c2nc(C)[nH]c(=O)c2sc1=S
Show InChI InChI=1S/C15H13N3O3S2/c1-3-21-14(20)9-4-6-10(7-5-9)18-12-11(23-15(18)22)13(19)17-8(2)16-12/h4-7H,3H2,1-2H3,(H,16,17,19)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.43E+3n/an/an/an/a8.023



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
A fluorescence resonance energy transfer assay is developed in 96-well and 384-well microplate formats with robotic manipulation to enable high-throu...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D5W
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM34406
PNG
(4-(5-methyl-7-oxo-2-sulfanylidene-4H-thiazolo[4,5-...)
Show SMILES CCOC(=O)c1ccc(cc1)-n1c2nc(C)[nH]c(=O)c2sc1=S
Show InChI InChI=1S/C15H13N3O3S2/c1-3-21-14(20)9-4-6-10(7-5-9)18-12-11(23-15(18)22)13(19)17-8(2)16-12/h4-7H,3H2,1-2H3,(H,16,17,19)
PDB

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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>3.54E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM34406
PNG
(4-(5-methyl-7-oxo-2-sulfanylidene-4H-thiazolo[4,5-...)
Show SMILES CCOC(=O)c1ccc(cc1)-n1c2nc(C)[nH]c(=O)c2sc1=S
Show InChI InChI=1S/C15H13N3O3S2/c1-3-21-14(20)9-4-6-10(7-5-9)18-12-11(23-15(18)22)13(19)17-8(2)16-12/h4-7H,3H2,1-2H3,(H,16,17,19)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>3.54E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2251GM6
More data for this
Ligand-Target Pair