BDBM50126180 CHEMBL3628520

SMILES: OC(=O)c1cnc2ccc(F)cc2c1Nc1ccc(NCCCN2CCOCC2)cc1

InChI Key: InChIKey=HAVLBPZXTFNRAU-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 = 50126180   

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)	BDBM50126180 (CHEMBL3628520) Show SMILES OC(=O)c1cnc2ccc(F)cc2c1Nc1ccc(NCCCN2CCOCC2)cc1 Show InChI InChI=1S/C23H25FN4O3/c24-16-2-7-21-19(14-16)22(20(15-26-21)23(29)30)27-18-5-3-17(4-6-18)25-8-1-9-28-10-12-31-13-11-28/h2-7,14-15,25H,1,8-13H2,(H,26,27)(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.50E+4	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