BDBM50010367 CHEMBL3263609

SMILES: CCNC(=O)Nc1nc2cc(-c3cncc(c3)C#N)c(OCC3CCOC3)nc2s1

InChI Key: InChIKey=HHDMFSYRLQUHAT-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 = 50010367   

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)	BDBM50010367 (CHEMBL3263609) Show SMILES CCNC(=O)Nc1nc2cc(-c3cncc(c3)C#N)c(OCC3CCOC3)nc2s1 Show InChI InChI=1S/C20H20N6O3S/c1-2-23-19(27)26-20-24-16-6-15(14-5-13(7-21)8-22-9-14)17(25-18(16)30-20)29-11-12-3-4-28-10-12/h5-6,8-9,12H,2-4,10-11H2,1H3,(H2,23,24,26,27)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca India Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as inorganic phosphate release using ATP as substrate by colorimetric ana...				Cell Chem Biol 56: 8834-48 (2013) Article DOI: 10.1021/jm401268f BindingDB Entry DOI: 10.7270/Q2RV0Q7W
					More data for this Ligand-Target Pair