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BDBM66023 2-octyl-1,2-thiazol-3-one::2-octyl-3-isothiazolone::2-octyl-4-isothiazolin-3-one::MLS002415697::SMR001370885::cid_33528

SMILES: CCCCCCCCn1sccc1=O

InChI Key: InChIKey=JPMIIZHYYWMHDT-UHFFFAOYSA-N

Data: 1 IC50  3 EC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 66023   
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
RPL19A


(Saccharomyces cerevisiae)
BDBM66023
PNG
(2-octyl-1,2-thiazol-3-one | 2-octyl-3-isothiazolon...)
Show SMILES CCCCCCCCn1sccc1=O
Show InChI InChI=1S/C11H19NOS/c1-2-3-4-5-6-7-9-12-11(13)8-10-14-12/h8,10H,2-7,9H2,1H3
PDB
MMDB

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KEGG
PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 1.19E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2JQ0ZGP
More data for this
Ligand-Target Pair
Monoglyceride lipase (MGL)


(Rattus norvegicus (Rat))
BDBM66023
PNG
(2-octyl-1,2-thiazol-3-one | 2-octyl-3-isothiazolon...)
Show SMILES CCCCCCCCn1sccc1=O
Show InChI InChI=1S/C11H19NOS/c1-2-3-4-5-6-7-9-12-11(13)8-10-14-12/h8,10H,2-7,9H2,1H3
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Article
PubMed
n/an/a 88n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat N-terminal histidine tagged MAGL expressed in Escherichia coli Rosetta 2 (DE3) pLysS cells preincubated for 10 mins fol...


J Med Chem 60: 4-46 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00538
BindingDB Entry DOI: 10.7270/Q2348NZC
More data for this
Ligand-Target Pair
LAP4


(Saccharomyces cerevisiae)
BDBM66023
PNG
(2-octyl-1,2-thiazol-3-one | 2-octyl-3-isothiazolon...)
Show SMILES CCCCCCCCn1sccc1=O
Show InChI InChI=1S/C11H19NOS/c1-2-3-4-5-6-7-9-12-11(13)8-10-14-12/h8,10H,2-7,9H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

KEGG
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 912n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
MEP2


(Saccharomyces cerevisiae)
BDBM66023
PNG
(2-octyl-1,2-thiazol-3-one | 2-octyl-3-isothiazolon...)
Show SMILES CCCCCCCCn1sccc1=O
Show InChI InChI=1S/C11H19NOS/c1-2-3-4-5-6-7-9-12-11(13)8-10-14-12/h8,10H,2-7,9H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

KEGG
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.23E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2F18X5F
More data for this
Ligand-Target Pair