BDBM50047152 CHEMBL3314558

SMILES: CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(CN2CCOCC2)c(s1)C(O)=O

InChI Key: InChIKey=VDJNESCRGWJWLH-OCCSQVGLSA-N

Data: 1 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 1 hit for monomerid = 50047152   

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 Gyrase Subunit B (Staphylococcus aureus)	BDBM50047152 (CHEMBL3314558) Show SMILES CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(CN2CCOCC2)c(s1)C(O)=O |r| Show InChI InChI=1S/C21H27Cl2N5O5S/c1-11-15(22)16(23)17(24-11)19(29)25-12-3-4-28(10-14(12)32-2)21-26-13(18(34-21)20(30)31)9-27-5-7-33-8-6-27/h12,14,24H,3-10H2,1-2H3,(H,25,29)(H,30,31)/t12-,14+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ATPase activity of Staphylococcus aureus GyrB				J Med Chem 57: 6060-82 (2014) Article DOI: 10.1021/jm500462x BindingDB Entry DOI: 10.7270/Q24J0GR1
					More data for this Ligand-Target Pair