BDBM50010366 CHEMBL3263608

SMILES: CCNC(=O)Nc1nc2cc(-c3ccc(nc3)C#N)c(OCC3CCOC3)nc2s1

InChI Key: InChIKey=CGANSEJMXSSHIR-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 = 50010366   

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)	BDBM50010366 (CHEMBL3263608) Show SMILES CCNC(=O)Nc1nc2cc(-c3ccc(nc3)C#N)c(OCC3CCOC3)nc2s1 Show InChI InChI=1S/C20H20N6O3S/c1-2-22-19(27)26-20-24-16-7-15(13-3-4-14(8-21)23-9-13)17(25-18(16)30-20)29-11-12-5-6-28-10-12/h3-4,7,9,12H,2,5-6,10-11H2,1H3,(H2,22,24,26,27)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	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