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BDBM54147 2-[(2-{[3-(1,3-benzothiazol-2-yl)-4-methyl-2-thienyl]amino}-2-oxoethyl)sulfanyl]acetic acid::2-[2-[[3-(1,3-benzothiazol-2-yl)-4-methyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid::2-[2-[[3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-yl]amino]-2-oxoethyl]sulfanylacetic acid::2-[[2-[[3-(1,3-benzothiazol-2-yl)-4-methyl-2-thienyl]amino]-2-keto-ethyl]thio]acetic acid::2-[[2-[[3-(1,3-benzothiazol-2-yl)-4-methyl-2-thiophenyl]amino]-2-oxoethyl]thio]acetic acid::MLS000850157::SMR000456175::cid_2811247

SMILES: Cc1csc(NC(=O)CSCC(O)=O)c1-c1nc2ccccc2s1

InChI Key: InChIKey=LEQFDVXRABXIMC-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 = 54147   
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
Zinc aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM54147
PNG
(2-[(2-{[3-(1,3-benzothiazol-2-yl)-4-methyl-2-thien...)
Show SMILES Cc1csc(NC(=O)CSCC(O)=O)c1-c1nc2ccccc2s1
Show InChI InChI=1S/C16H14N2O3S3/c1-9-6-23-15(18-12(19)7-22-8-13(20)21)14(9)16-17-10-4-2-3-5-11(10)24-16/h2-6H,7-8H2,1H3,(H,18,19)(H,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 7.09E+3n/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 (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair