BDBM50440320 CHEMBL2424894

SMILES: Fc1ccc2ccc(=O)n3CC(CN4CCC(CC4)NCc4cc5OCCOc5cn4)c1c23

InChI Key: InChIKey=AUXHQPYDIVPJQT-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50440320   

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
Topoisomerase IV (Staphylococcus aureus)	BDBM50440320 (CHEMBL2424894) Show SMILES Fc1ccc2ccc(=O)n3CC(CN4CCC(CC4)NCc4cc5OCCOc5cn4)c1c23 Show InChI InChI=1S/C25H27FN4O3/c26-20-3-1-16-2-4-23(31)30-15-17(24(20)25(16)30)14-29-7-5-18(6-8-29)27-12-19-11-21-22(13-28-19)33-10-9-32-21/h1-4,11,13,17-18,27H,5-10,12,14-15H2	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	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 (Staphylococcus aureus)	BDBM50440320 (CHEMBL2424894) Show SMILES Fc1ccc2ccc(=O)n3CC(CN4CCC(CC4)NCc4cc5OCCOc5cn4)c1c23 Show InChI InChI=1S/C25H27FN4O3/c26-20-3-1-16-2-4-23(31)30-15-17(24(20)25(16)30)14-29-7-5-18(6-8-29)27-12-19-11-21-22(13-28-19)33-10-9-32-21/h1-4,11,13,17-18,27H,5-10,12,14-15H2	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	125	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