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3 similar compounds to monomer 31080

Compile data set for download or QSAR
Wt: 414.5
BDBM71793
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Wt: 384.4
BDBM79516
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Wt: 400.4
BDBM79564
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 71793,79516,79564   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Hsf1 protein


(Mus musculus)
BDBM71793
PNG
(1-(2,4-dimethylphenyl)-4-[4-(4-methoxyphenyl)-1-pi...)
Show SMILES COc1ccc(cc1)N1CCN(CC1)c1ncnc2n(ncc12)-c1ccc(C)cc1C
Show InChI InChI=1S/C24H26N6O/c1-17-4-9-22(18(2)14-17)30-24-21(15-27-30)23(25-16-26-24)29-12-10-28(11-13-29)19-5-7-20(31-3)8-6-19/h4-9,14-16H,10-13H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

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
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM79564
PNG
(1-(4-methoxyphenyl)-4-[4-(phenylmethyl)-1-piperazi...)
Show SMILES COc1ccc(cc1)-n1ncc2c(ncnc12)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H24N6O/c1-30-20-9-7-19(8-10-20)29-23-21(15-26-29)22(24-17-25-23)28-13-11-27(12-14-28)16-18-5-3-2-4-6-18/h2-10,15,17H,11-14,16H2,1H3
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 3.59E+4n/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, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22N50RJ
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM79516
PNG
(1-(2,4-dimethylphenyl)-4-(4-phenyl-1-piperazinyl)p...)
Show SMILES Cc1ccc(c(C)c1)-n1ncc2c(ncnc12)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C23H24N6/c1-17-8-9-21(18(2)14-17)29-23-20(15-26-29)22(24-16-25-23)28-12-10-27(11-13-28)19-6-4-3-5-7-19/h3-9,14-16H,10-13H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 9.82E+3n/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, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22N50RJ
More data for this
Ligand-Target Pair