BindingDB logo
myBDB logout

BDBM59666 3-keto-4-[(7-keto-3-phenyl-2-thioxo-4H-thiazolo[4,5-d]pyrimidin-5-yl)thio]butyric acid ethyl ester::3-oxo-4-[(7-oxo-3-phenyl-2-sulfanylidene-4H-thiazolo[4,5-d]pyrimidin-5-yl)thio]butanoic acid ethyl ester::MLS000095473::SMR000031027::cid_3239370::ethyl 3-oxidanylidene-4-[(7-oxidanylidene-3-phenyl-2-sulfanylidene-4H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]butanoate::ethyl 3-oxo-4-[(7-oxo-3-phenyl-2-sulfanylidene-4H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]butanoate::ethyl 3-oxo-4-[(7-oxo-3-phenyl-2-thioxo-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl)thio]butanoate

SMILES: CCOC(=O)CC(=O)CSc1nc2n(-c3ccccc3)c(=S)sc2c(=O)[nH]1

InChI Key: InChIKey=NLZJUEXAGQYTKS-UHFFFAOYSA-N

Data: 1 IC50

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 = 59666   
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
leucine aminopeptidase


(Plasmodium falciparum 3D7)
BDBM59666
PNG
(3-keto-4-[(7-keto-3-phenyl-2-thioxo-4H-thiazolo[4,...)
Show SMILES CCOC(=O)CC(=O)CSc1nc2n(-c3ccccc3)c(=S)sc2c(=O)[nH]1
Show InChI InChI=1S/C17H15N3O4S3/c1-2-24-12(22)8-11(21)9-26-16-18-14-13(15(23)19-16)27-17(25)20(14)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,18,19,23)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/a 4.06E+4n/an/an/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...


PubChem Bioassay (2009)


Article DOI: 10.1016/j.bioorg.2014.02.001
BindingDB Entry DOI: 10.7270/Q27W69N8
More data for this
Ligand-Target Pair