BDBM50447313 CHEMBL3114221

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

InChI Key: InChIKey=BZVIHDQMYRAGBF-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 = 50447313   

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)	BDBM50447313 (CHEMBL3114221) Show SMILES CCNC(=O)Nc1nc2cc(-c3cccnc3)c(=O)n(CCC(C)C)c2s1 Show InChI InChI=1S/C19H23N5O2S/c1-4-21-18(26)23-19-22-15-10-14(13-6-5-8-20-11-13)16(25)24(17(15)27-19)9-7-12(2)3/h5-6,8,10-12H,4,7,9H2,1-3H3,(H2,21,22,23,26)	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