BDBM50037089 CHEMBL3355792

SMILES: CCOC(=O)c1cc2cc(ccc2o1)N1CCN(CC1)C(=S)Nc1ccc(cc1)[N+]([O-])=O

InChI Key: InChIKey=SBNWUJWCMOPMKQ-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 = 50037089   

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)	BDBM50037089 (CHEMBL3355792) Show SMILES CCOC(=O)c1cc2cc(ccc2o1)N1CCN(CC1)C(=S)Nc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C22H22N4O5S/c1-2-30-21(27)20-14-15-13-18(7-8-19(15)31-20)24-9-11-25(12-10-24)22(32)23-16-3-5-17(6-4-16)26(28)29/h3-8,13-14H,2,9-12H2,1H3,(H,23,32)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.29E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of purified Mycobacterium smegmatis GyrB at 50 to 100 uM after 100 mins by ATPase assay				Bioorg Med Chem 22: 6552-63 (2015) Article DOI: 10.1016/j.bmc.2014.10.016 BindingDB Entry DOI: 10.7270/Q2D50PJH
					More data for this Ligand-Target Pair