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SMILES: COc1cc(cc(OC)c1OC)-c1nnc(CSc2nnc(Nc3ccc(cc3)C(C)C)s2)o1

InChI Key: InChIKey=RAIOPVNVVOYZBU-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 = 44051   
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)		BDBM44051
PNG
(MLS000391281 | N-(4-propan-2-ylphenyl)-5-[[5-(3,4,...)
Show SMILES COc1cc(cc(OC)c1OC)-c1nnc(CSc2nnc(Nc3ccc(cc3)C(C)C)s2)o1
Show InChI InChI=1S/C23H25N5O4S2/c1-13(2)14-6-8-16(9-7-14)24-22-27-28-23(34-22)33-12-19-25-26-21(32-19)15-10-17(29-3)20(31-5)18(11-15)30-4/h6-11,13H,12H2,1-5H3,(H,24,27)
PDB

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UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 3.18E+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
Solute carrier family 12 member 5


(Homo sapiens (Human))		BDBM44051
PNG
(MLS000391281 | N-(4-propan-2-ylphenyl)-5-[[5-(3,4,...)
Show SMILES COc1cc(cc(OC)c1OC)-c1nnc(CSc2nnc(Nc3ccc(cc3)C(C)C)s2)o1
Show InChI InChI=1S/C23H25N5O4S2/c1-13(2)14-6-8-16(9-7-14)24-22-27-28-23(34-22)33-12-19-25-26-21(32-19)15-10-17(29-3)20(31-5)18(11-15)30-4/h6-11,13H,12H2,1-5H3,(H,24,27)
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 2.20E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2TX3CSC
More data for this
Ligand-Target Pair