BDBM50447317 CHEMBL3114217

SMILES: CCNC(=O)Nc1nc2cc(-c3cccnc3)c(=O)n(CC3CC3)c2s1

InChI Key: InChIKey=DBEJDOXBHGKTLP-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 = 50447317   

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)	BDBM50447317 (CHEMBL3114217) Show SMILES CCNC(=O)Nc1nc2cc(-c3cccnc3)c(=O)n(CC3CC3)c2s1 Show InChI InChI=1S/C18H19N5O2S/c1-2-20-17(25)22-18-21-14-8-13(12-4-3-7-19-9-12)15(24)23(16(14)26-18)10-11-5-6-11/h3-4,7-9,11H,2,5-6,10H2,1H3,(H2,20,21,22,25)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	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