BDBM50010368 CHEMBL3263610

SMILES: CCNC(=O)Nc1nc2cc(-c3ccc(nc3)C#N)c(NC3CCOCC3)nc2s1

InChI Key: InChIKey=UHYLGVAPCASYSM-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 = 50010368   

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)	BDBM50010368 (CHEMBL3263610) Show SMILES CCNC(=O)Nc1nc2cc(-c3ccc(nc3)C#N)c(NC3CCOCC3)nc2s1 Show InChI InChI=1S/C20H21N7O2S/c1-2-22-19(28)27-20-25-16-9-15(12-3-4-14(10-21)23-11-12)17(26-18(16)30-20)24-13-5-7-29-8-6-13/h3-4,9,11,13H,2,5-8H2,1H3,(H,24,26)(H2,22,25,27,28)	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	47	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