BindingDB logo
myBDB logout

BDBM83673 3-(5-methylfuran-2-yl)carbonyl-2-(4-methylphenyl)-1-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-4-oxidanyl-2H-pyrrol-5-one::3-hydroxy-4-(5-methyl-2-furoyl)-1-[5-(methylthio)-1,3,4-thiadiazol-2-yl]-5-(p-tolyl)-3-pyrrolin-2-one::4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-methylphenyl)-1-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one::4-hydroxy-3-[(5-methyl-2-furanyl)-oxomethyl]-2-(4-methylphenyl)-1-[5-(methylthio)-1,3,4-thiadiazol-2-yl]-2H-pyrrol-5-one::MLS001140748::SMR000650392::cid_4902571

SMILES: CSc1nnc(s1)N1C(C(C(=O)c2ccc(C)o2)C(=O)C1=O)c1ccc(C)cc1

InChI Key: InChIKey=YWYKRTJBNVIINV-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 83673   
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
mRNA interferase toxin, antitoxin is MazE


(Escherichia coli str. K-12 substr. MG1655)
BDBM83673
PNG
(3-(5-methylfuran-2-yl)carbonyl-2-(4-methylphenyl)-...)
Show SMILES CSc1nnc(s1)N1C(C(C(=O)c2ccc(C)o2)C(=O)C1=O)c1ccc(C)cc1
Show InChI InChI=1S/C20H17N3O4S2/c1-10-4-7-12(8-5-10)15-14(16(24)13-9-6-11(2)27-13)17(25)18(26)23(15)19-21-22-20(28-3)29-19/h4-9,14-15H,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 9.87E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2Z31X54
More data for this
Ligand-Target Pair
mRNA interferase toxin, antitoxin is MazE


(Escherichia coli str. K-12 substr. MG1655)
BDBM83673
PNG
(3-(5-methylfuran-2-yl)carbonyl-2-(4-methylphenyl)-...)
Show SMILES CSc1nnc(s1)N1C(C(C(=O)c2ccc(C)o2)C(=O)C1=O)c1ccc(C)cc1
Show InChI InChI=1S/C20H17N3O4S2/c1-10-4-7-12(8-5-10)15-14(16(24)13-9-6-11(2)27-13)17(25)18(26)23(15)19-21-22-20(28-3)29-19/h4-9,14-15H,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>9.90E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2TB15DB
More data for this
Ligand-Target Pair