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BDBM72848 (E)-3-[2-(1-azepanyl)-9-methyl-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-cyano-2-propenoic acid methyl ester::(E)-3-[2-(azepan-1-yl)-4-keto-9-methyl-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-acrylic acid methyl ester::MLS001214709::SMR000543620::cid_1850202::methyl (E)-3-[2-(azepan-1-yl)-9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-prop-2-enoate::methyl (E)-3-[2-(azepan-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enoate

SMILES: COC(=O)C(=C\c1c(nc2c(C)cccn2c1=O)N1CCCCCC1)\C#N

InChI Key: InChIKey=ALWLRSIGXVGTJV-NTCAYCPXSA-N

Data: 1 EC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 72848   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Hsf1 protein


(Mus musculus)
BDBM72848
PNG
((E)-3-[2-(1-azepanyl)-9-methyl-4-oxo-3-pyrido[1,2-...)
Show SMILES COC(=O)C(=C\c1c(nc2c(C)cccn2c1=O)N1CCCCCC1)\C#N
Show InChI InChI=1S/C20H22N4O3/c1-14-8-7-11-24-17(14)22-18(23-9-5-3-4-6-10-23)16(19(24)25)12-15(13-21)20(26)27-2/h7-8,11-12H,3-6,9-10H2,1-2H3/b15-12+
PDB

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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