BDBM50126797 CHEMBL3628440

SMILES: NNC(=O)c1cnc2ccccc2c1Nc1ccc(OCCCN2CCOCC2)cc1

InChI Key: InChIKey=GEQVIEACUIQISY-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 = 50126797   

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)	BDBM50126797 (CHEMBL3628440) Show SMILES NNC(=O)c1cnc2ccccc2c1Nc1ccc(OCCCN2CCOCC2)cc1 Show InChI InChI=1S/C23H27N5O3/c24-27-23(29)20-16-25-21-5-2-1-4-19(21)22(20)26-17-6-8-18(9-7-17)31-13-3-10-28-11-14-30-15-12-28/h1-2,4-9,16H,3,10-15,24H2,(H,25,26)(H,27,29)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	970	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology&Science Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA gyrase B expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as reduction in ATPase activity incu...				Eur J Med Chem 103: 1-16 (2015) BindingDB Entry DOI: 10.7270/Q2KS6TBH
					More data for this Ligand-Target Pair