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BDBM50275893 CHEMBL469529::ethyl 3-ethyl-2-thioxo-2,3-dihydro-1H-imidazole-1-carboxylate

SMILES: CCOC(=O)n1ccn(CC)c1=S

InChI Key: InChIKey=LFATYVGOCRFYMS-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50275893   
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
Lactoperoxidase


(Homo sapiens (Human))
BDBM50275893
PNG
(CHEMBL469529 | ethyl 3-ethyl-2-thioxo-2,3-dihydro-...)
Show SMILES CCOC(=O)n1ccn(CC)c1=S
Show InChI InChI=1S/C8H12N2O2S/c1-3-9-5-6-10(7(9)13)8(11)12-4-2/h5-6H,3-4H2,1-2H3
PDB
MMDB

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Similars

Article
PubMed
n/an/a 2.05E+4n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of lactoperoxidase (unknown origin)-catalyzed iodination of L-tyrosine assessed as 3,5-diiodo-L-tyrosine formation by HPLC


J Med Chem 51: 7313-7 (2009)


Article DOI: 10.1021/jm800894m
BindingDB Entry DOI: 10.7270/Q2Z31ZGK
More data for this
Ligand-Target Pair