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SMILES: OC(=O)CSCC(=O)Nc1ccc(cc1)-c1nc2cccnc2[nH]1

InChI Key: InChIKey=DZEOFTATUHWECW-UHFFFAOYSA-N

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 = 50497516   
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
DNA gyrase subunit A/B


(Staphylococcus aureus)
BDBM50497516
PNG
(CHEMBL3344044)
Show SMILES OC(=O)CSCC(=O)Nc1ccc(cc1)-c1nc2cccnc2[nH]1
Show InChI InChI=1S/C16H14N4O3S/c21-13(8-24-9-14(22)23)18-11-5-3-10(4-6-11)15-19-12-2-1-7-17-16(12)20-15/h1-7H,8-9H2,(H,18,21)(H,22,23)(H,17,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase-mediated supercoiling of relaxed DNA using pBR 322 as substrate by agarose gel electrophoresis analysi...


Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50497516
PNG
(CHEMBL3344044)
Show SMILES OC(=O)CSCC(=O)Nc1ccc(cc1)-c1nc2cccnc2[nH]1
Show InChI InChI=1S/C16H14N4O3S/c21-13(8-24-9-14(22)23)18-11-5-3-10(4-6-11)15-19-12-2-1-7-17-16(12)20-15/h1-7H,8-9H2,(H,18,21)(H,22,23)(H,17,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.31E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B ATPase activity


Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair