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BDBM50221028 CHEMBL87044

SMILES: Oc1c2SCCc2nn1-c1ccccc1C(F)(F)F

InChI Key: InChIKey=MPJKSUNGZZDAED-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50221028   
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
MurB (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50221028
PNG
(CHEMBL87044)
Show SMILES Oc1c2SCCc2nn1-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C12H9F3N2OS/c13-12(14,15)7-3-1-2-4-9(7)17-11(18)10-8(16-17)5-6-19-10/h1-4,18H,5-6H2
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>8.73E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramate dehydrogenase


Bioorg Med Chem Lett 13: 2591-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00471-2
BindingDB Entry DOI: 10.7270/Q20P126D
More data for this
Ligand-Target Pair
MurD (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50221028
PNG
(CHEMBL87044)
Show SMILES Oc1c2SCCc2nn1-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C12H9F3N2OS/c13-12(14,15)7-3-1-2-4-9(7)17-11(18)10-8(16-17)5-6-19-10/h1-4,18H,5-6H2
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>8.73E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramoyl-L-alanyl-D-glutamate synthetase


Bioorg Med Chem Lett 13: 2591-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00471-2
BindingDB Entry DOI: 10.7270/Q20P126D
More data for this
Ligand-Target Pair
MurC (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50221028
PNG
(CHEMBL87044)
Show SMILES Oc1c2SCCc2nn1-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C12H9F3N2OS/c13-12(14,15)7-3-1-2-4-9(7)17-11(18)10-8(16-17)5-6-19-10/h1-4,18H,5-6H2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>8.73E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramoyl-L-alanine synthetase


Bioorg Med Chem Lett 13: 2591-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00471-2
BindingDB Entry DOI: 10.7270/Q20P126D
More data for this
Ligand-Target Pair