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BDBM49630 1-(4-ethylphenyl)-2-(2-imino-1,3-thiazolidin-3-yl)ethanone;hydrobromide::1-(4-ethylphenyl)-2-(2-imino-3-thiazolidinyl)ethanone;hydrobromide::1-(4-ethylphenyl)-2-(2-iminothiazolidin-3-yl)ethanone;hydrobromide::2-(2-azanylidene-1,3-thiazolidin-3-yl)-1-(4-ethylphenyl)ethanone;hydrobromide::MLS000391661::SMR000260696::cid_15944810

SMILES: CCc1ccc(cc1)C(=O)CN1CCSC1=N

InChI Key: InChIKey=KBBPCAFNLRNHHW-UHFFFAOYSA-N

Data: 1 EC50

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 1 hit for monomerid = 49630   
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
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM49630
PNG
(1-(4-ethylphenyl)-2-(2-imino-1,3-thiazolidin-3-yl)...)
Show SMILES CCc1ccc(cc1)C(=O)CN1CCSC1=N
Show InChI InChI=1S/C13H16N2OS/c1-2-10-3-5-11(6-4-10)12(16)9-15-7-8-17-13(15)14/h3-6,14H,2,7-9H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 4.15E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair