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SMILES: Cc1sc2nc(SCC(=O)Nc3cccc(c3)C(O)=O)nc(O)c2c1C

InChI Key: InChIKey=ORANHBYVJOBPJF-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 = 50497497   
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)
BDBM50497497
PNG
(CHEMBL1572180)
Show SMILES Cc1sc2nc(SCC(=O)Nc3cccc(c3)C(O)=O)nc(O)c2c1C
Show InChI InChI=1S/C17H15N3O4S2/c1-8-9(2)26-15-13(8)14(22)19-17(20-15)25-7-12(21)18-11-5-3-4-10(6-11)16(23)24/h3-6H,7H2,1-2H3,(H,18,21)(H,23,24)(H,19,20,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.22E+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)
BDBM50497497
PNG
(CHEMBL1572180)
Show SMILES Cc1sc2nc(SCC(=O)Nc3cccc(c3)C(O)=O)nc(O)c2c1C
Show InChI InChI=1S/C17H15N3O4S2/c1-8-9(2)26-15-13(8)14(22)19-17(20-15)25-7-12(21)18-11-5-3-4-10(6-11)16(23)24/h3-6H,7H2,1-2H3,(H,18,21)(H,23,24)(H,19,20,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.73E+4n/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