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BDBM64708 2-[(1E,3E)-4-(4-Dimethylamino-phenyl)-buta-1,3-dienyl]-3-methyl-benzothiazol-3-ium::MLS000780024::N,N-dimethyl-4-[(1E,3E)-4-(3-methyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]aniline;perchlorate::SMR000420207::cid_16682266::dimethyl-[4-[(1E,3E)-4-(3-methyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]phenyl]amine;perchlorate

SMILES: CN(C)c1ccc(\C=C\C=C\c2sc3ccccc3[n+]2C)cc1

InChI Key: InChIKey=GMEBKRPJRUGDMP-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 64708   
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
Group III secretory phopholipase A2


(Homo sapiens (Human))
BDBM64708
PNG
(2-[(1E,3E)-4-(4-Dimethylamino-phenyl)-buta-1,3-die...)
Show SMILES CN(C)c1ccc(\C=C\C=C\c2sc3ccccc3[n+]2C)cc1
Show InChI InChI=1S/C20H21N2S/c1-21(2)17-14-12-16(13-15-17)8-4-7-11-20-22(3)18-9-5-6-10-19(18)23-20/h4-15H,1-3H3/q+1
KEGG

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.16E+4n/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2CV4GCW
More data for this
Ligand-Target Pair