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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 427.5
BDBM61832
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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
Mitochondrial import inner membrane translocase subunit TIM10


(Saccharomyces cerevisiae S288c)
BDBM61832
PNG
(MLS001018614 | N,N-dimethyl-4-(2,4,6-triphenyl-1-p...)
Show SMILES CN(C)c1ccc(cc1)-[n+]1c(cc(cc1-c1ccccc1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C31H27N2/c1-32(2)28-18-20-29(21-19-28)33-30(25-14-8-4-9-15-25)22-27(24-12-6-3-7-13-24)23-31(33)26-16-10-5-11-17-26/h3-23H,1-2H3/q+1
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MMDB

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B.MOAD
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PC sid
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PCBioAssay
n/an/a 2.37E+4n/an/an/an/an/an/a



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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2F18X6W
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM61832
PNG
(MLS001018614 | N,N-dimethyl-4-(2,4,6-triphenyl-1-p...)
Show SMILES CN(C)c1ccc(cc1)-[n+]1c(cc(cc1-c1ccccc1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C31H27N2/c1-32(2)28-18-20-29(21-19-28)33-30(25-14-8-4-9-15-25)22-27(24-12-6-3-7-13-24)23-31(33)26-16-10-5-11-17-26/h3-23H,1-2H3/q+1
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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
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM61832
PNG
(MLS001018614 | N,N-dimethyl-4-(2,4,6-triphenyl-1-p...)
Show SMILES CN(C)c1ccc(cc1)-[n+]1c(cc(cc1-c1ccccc1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C31H27N2/c1-32(2)28-18-20-29(21-19-28)33-30(25-14-8-4-9-15-25)22-27(24-12-6-3-7-13-24)23-31(33)26-16-10-5-11-17-26/h3-23H,1-2H3/q+1
PDB

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antibodypedia
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PC cid
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UniChem

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PCBioAssay
n/an/an/an/a 2.44E+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