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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 441.5
BDBM61819

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
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM61819
PNG
(6-(2,3-dihydro-1H-indol-1-ylsulfonyl)-N-(3-methoxy...)
Show SMILES COCCCNC(=O)c1cnc2ccc(cc2c1O)S(=O)(=O)N1CCc2ccccc12
Show InChI InChI=1S/C22H23N3O5S/c1-30-12-4-10-23-22(27)18-14-24-19-8-7-16(13-17(19)21(18)26)31(28,29)25-11-9-15-5-2-3-6-20(15)25/h2-3,5-8,13-14H,4,9-12H2,1H3,(H,23,27)(H,24,26)
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UniProtKB/SwissProt

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antibodypedia
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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/Q2251GM6
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Mus musculus)
BDBM61819
PNG
(6-(2,3-dihydro-1H-indol-1-ylsulfonyl)-N-(3-methoxy...)
Show SMILES COCCCNC(=O)c1cnc2ccc(cc2c1O)S(=O)(=O)N1CCc2ccccc12
Show InChI InChI=1S/C22H23N3O5S/c1-30-12-4-10-23-22(27)18-14-24-19-8-7-16(13-17(19)21(18)26)31(28,29)25-11-9-15-5-2-3-6-20(15)25/h2-3,5-8,13-14H,4,9-12H2,1H3,(H,23,27)(H,24,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>2.60E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM61819
PNG
(6-(2,3-dihydro-1H-indol-1-ylsulfonyl)-N-(3-methoxy...)
Show SMILES COCCCNC(=O)c1cnc2ccc(cc2c1O)S(=O)(=O)N1CCc2ccccc12
Show InChI InChI=1S/C22H23N3O5S/c1-30-12-4-10-23-22(27)18-14-24-19-8-7-16(13-17(19)21(18)26)31(28,29)25-11-9-15-5-2-3-6-20(15)25/h2-3,5-8,13-14H,4,9-12H2,1H3,(H,23,27)(H,24,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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