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SMILES: CC(C)n1cc(C=NNC(=O)COc2cccc3cccnc23)c2ccccc12

InChI Key: InChIKey=AWYXHNREZVNEHP-UHFFFAOYSA-N

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 55615   
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
Heat shock factor protein 1


(Mus musculus)
BDBM55615
PNG
((Quinolin-8-yloxy)-acetic acid [1-(1-isopropyl-1H-...)
Show SMILES CC(C)n1cc(C=NNC(=O)COc2cccc3cccnc23)c2ccccc12
Show InChI InChI=1S/C23H22N4O2/c1-16(2)27-14-18(19-9-3-4-10-20(19)27)13-25-26-22(28)15-29-21-11-5-7-17-8-6-12-24-23(17)21/h3-14,16H,15H2,1-2H3,(H,26,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 7.51E+4n/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
Neutrophil cytosol factor 1 [S99G]


(Homo sapiens (Human))
BDBM55615
PNG
((Quinolin-8-yloxy)-acetic acid [1-(1-isopropyl-1H-...)
Show SMILES CC(C)n1cc(C=NNC(=O)COc2cccc3cccnc23)c2ccccc12
Show InChI InChI=1S/C23H22N4O2/c1-16(2)27-14-18(19-9-3-4-10-20(19)27)13-25-26-22(28)15-29-21-11-5-7-17-8-6-12-24-23(17)21/h3-14,16H,15H2,1-2H3,(H,26,28)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2M90723
More data for this
Ligand-Target Pair