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SMILES: Oc1cc(N(CCc2ccccc2)C(=S)Nc2ccccc2)c(O)n1-c1ccc(Br)cc1

InChI Key: InChIKey=MUNCHSLVRFHZNI-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 57561   
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
Methionine--tRNA ligase


(Trypanosoma brucei brucei strain 927/4 GUTat10.1)
BDBM57561
PNG
(1-[1-(4-Bromo-phenyl)-2,5-dioxo-pyrrolidin-3-yl]-1...)
Show SMILES Oc1cc(N(CCc2ccccc2)C(=S)Nc2ccccc2)c(O)n1-c1ccc(Br)cc1
Show InChI InChI=1S/C25H22BrN3O2S/c26-19-11-13-21(14-12-19)29-23(30)17-22(24(29)31)28(16-15-18-7-3-1-4-8-18)25(32)27-20-9-5-2-6-10-20/h1-14,17,30-31H,15-16H2,(H,27,32)
PDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 460n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2XP73JZ
More data for this
Ligand-Target Pair
Streptokinase A


(Streptococcus pyogenes M1 GAS)
BDBM57561
PNG
(1-[1-(4-Bromo-phenyl)-2,5-dioxo-pyrrolidin-3-yl]-1...)
Show SMILES Oc1cc(N(CCc2ccccc2)C(=S)Nc2ccccc2)c(O)n1-c1ccc(Br)cc1
Show InChI InChI=1S/C25H22BrN3O2S/c26-19-11-13-21(14-12-19)29-23(30)17-22(24(29)31)28(16-15-18-7-3-1-4-8-18)25(32)27-20-9-5-2-6-10-20/h1-14,17,30-31H,15-16H2,(H,27,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.67E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2736PBV
More data for this
Ligand-Target Pair