null

SMILES: COc1ccc2nccc(CC[C@@H]3CC[C@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2n1

InChI Key: InChIKey=ZIEKVRDXDUZMKV-QZTJIDSGSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50440327   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
DNA topoisomerase 4 subunit A/B (Staphylococcus aureus)	BDBM50440327 (CHEMBL2424883) Show SMILES COc1ccc2nccc(CC[C@@H]3CC[C@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r| Show InChI InChI=1S/C24H27N5O3S/c1-31-22-9-7-19-23(29-22)15(10-11-25-19)2-5-18-6-3-17(13-32-18)26-12-16-4-8-20-24(27-16)28-21(30)14-33-20/h4,7-11,17-18,26H,2-3,5-6,12-14H2,1H3,(H,27,28,30)/t17-,18-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of wild type Staphylococcus aureus ATCC 29213 topoisomerase-4 subunit 2GrlA/2GrlB assessed as pBR322 relaxation after 1 hr				J Med Chem 56: 7396-415 (2013) Article DOI: 10.1021/jm400963y BindingDB Entry DOI: 10.7270/Q2HT2QRV
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50440327 (CHEMBL2424883) Show SMILES COc1ccc2nccc(CC[C@@H]3CC[C@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r| Show InChI InChI=1S/C24H27N5O3S/c1-31-22-9-7-19-23(29-22)15(10-11-25-19)2-5-18-6-3-17(13-32-18)26-12-16-4-8-20-24(27-16)28-21(30)14-33-20/h4,7-11,17-18,26H,2-3,5-6,12-14H2,1H3,(H,27,28,30)/t17-,18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr				J Med Chem 56: 7396-415 (2013) Article DOI: 10.1021/jm400963y BindingDB Entry DOI: 10.7270/Q2HT2QRV
					More data for this Ligand-Target Pair