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SMILES: O=C(NCCc1ccccc1)N1c2ccccc2Sc2ccccc12

InChI Key: InChIKey=WGZJNOARAAPYBY-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50308408   
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
Cholinesterase


(Homo sapiens (Human))
BDBM50308408
PNG
(CHEMBL602314 | N-(2-Phenylethyl)-1'H-phenothiazine...)
Show SMILES O=C(NCCc1ccccc1)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C21H18N2OS/c24-21(22-15-14-16-8-2-1-3-9-16)23-17-10-4-6-12-19(17)25-20-13-7-5-11-18(20)23/h1-13H,14-15H2,(H,22,24)
PDB
MMDB

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KEGG

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
190n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human plasma BuChE by modified Ellman's spectrophotometric method


Bioorg Med Chem 18: 2232-44 (2010)


Article DOI: 10.1016/j.bmc.2010.01.066
BindingDB Entry DOI: 10.7270/Q21C1X08
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Mus musculus)
BDBM50308408
PNG
(CHEMBL602314 | N-(2-Phenylethyl)-1'H-phenothiazine...)
Show SMILES O=C(NCCc1ccccc1)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C21H18N2OS/c24-21(22-15-14-16-8-2-1-3-9-16)23-17-10-4-6-12-19(17)25-20-13-7-5-11-18(20)23/h1-13H,14-15H2,(H,22,24)
PDB

KEGG

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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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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