BDBM50447312 CHEMBL3114222

SMILES: CCNC(=O)Nc1nc2cc(-c3cccnc3)c(=O)n(CC3CCCCC3)c2s1

InChI Key: InChIKey=OUOXPHUGQSVSFK-UHFFFAOYSA-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 = 50447312   

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 (Mycobacterium smegmatis)	BDBM50447312 (CHEMBL3114222) Show SMILES CCNC(=O)Nc1nc2cc(-c3cccnc3)c(=O)n(CC3CCCCC3)c2s1 Show InChI InChI=1S/C21H25N5O2S/c1-2-23-20(28)25-21-24-17-11-16(15-9-6-10-22-12-15)18(27)26(19(17)29-21)13-14-7-4-3-5-8-14/h6,9-12,14H,2-5,7-8,13H2,1H3,(H2,23,24,25,28)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins				Bioorg Med Chem Lett 24: 870-9 (2014) Article DOI: 10.1016/j.bmcl.2013.12.080 BindingDB Entry DOI: 10.7270/Q2K9390V
					More data for this Ligand-Target Pair