BDBM50500639 CHEMBL3754191

SMILES: [O-][N+](=O)c1ccc(NC(=O)Nc2ccc(Nc3c4ccccc4nc4ccc(Cl)cc34)cc2)cc1

InChI Key: InChIKey=BEKGNZRTWLSMTA-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 = 50500639   

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 tuberculosis (strain ATCC 25618 / H3...)	BDBM50500639 (CHEMBL3754191) Show SMILES [O-][N+](=O)c1ccc(NC(=O)Nc2ccc(Nc3c4ccccc4nc4ccc(Cl)cc34)cc2)cc1 Show InChI InChI=1S/C26H18ClN5O3/c27-16-5-14-24-22(15-16)25(21-3-1-2-4-23(21)31-24)28-17-6-8-18(9-7-17)29-26(33)30-19-10-12-20(13-11-19)32(34)35/h1-15H,(H,28,31)(H2,29,30,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology & Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DNA supercoiling after 30 mins by electrophoresis				Bioorg Med Chem 24: 877-85 (2016) Article DOI: 10.1016/j.bmc.2016.01.011 BindingDB Entry DOI: 10.7270/Q2MP5682
					More data for this Ligand-Target Pair