BDBM50447304 CHEMBL3114201

SMILES: CCNC(=O)Nc1nc2cc(-c3ccc(nc3)C#N)c(=O)n(C(C)C)c2s1

InChI Key: InChIKey=XATCLTUMHJWJDN-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 = 50447304   

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)	BDBM50447304 (CHEMBL3114201) Show SMILES CCNC(=O)Nc1nc2cc(-c3ccc(nc3)C#N)c(=O)n(C(C)C)c2s1 Show InChI InChI=1S/C18H18N6O2S/c1-4-20-17(26)23-18-22-14-7-13(11-5-6-12(8-19)21-9-11)15(25)24(10(2)3)16(14)27-18/h5-7,9-10H,4H2,1-3H3,(H2,20,22,23,26)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	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