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SMILES: COc1ccc(Nc2ncnc3ccc(Br)cc23)c(OC)c1

InChI Key: InChIKey=LTLPHMSJMFUGED-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 64005   
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)
BDBM64005
PNG
((6-Bromo-quinazolin-4-yl)-(2,4-dimethoxy-phenyl)-a...)
Show SMILES COc1ccc(Nc2ncnc3ccc(Br)cc23)c(OC)c1
Show InChI InChI=1S/C16H14BrN3O2/c1-21-11-4-6-14(15(8-11)22-2)20-16-12-7-10(17)3-5-13(12)18-9-19-16/h3-9H,1-2H3,(H,18,19,20)
PDB

KEGG

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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 354n/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: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens (Human))
BDBM64005
PNG
((6-Bromo-quinazolin-4-yl)-(2,4-dimethoxy-phenyl)-a...)
Show SMILES COc1ccc(Nc2ncnc3ccc(Br)cc23)c(OC)c1
Show InChI InChI=1S/C16H14BrN3O2/c1-21-11-4-6-14(15(8-11)22-2)20-16-12-7-10(17)3-5-13(12)18-9-19-16/h3-9H,1-2H3,(H,18,19,20)
PDB
MMDB

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DrugBank
antibodypedia
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UniChem

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PCBioAssay
n/an/a 2.44E+3n/an/an/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) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 3


(Homo sapiens (Human))
BDBM64005
PNG
((6-Bromo-quinazolin-4-yl)-(2,4-dimethoxy-phenyl)-a...)
Show SMILES COc1ccc(Nc2ncnc3ccc(Br)cc23)c(OC)c1
Show InChI InChI=1S/C16H14BrN3O2/c1-21-11-4-6-14(15(8-11)22-2)20-16-12-7-10(17)3-5-13(12)18-9-19-16/h3-9H,1-2H3,(H,18,19,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.75E+3n/an/an/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) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2C24V0K
More data for this
Ligand-Target Pair