BDBM50037194 CHEMBL3355807

SMILES: COc1ccc(NC(=S)N2CCN(CC2)c2nsc3ccccc23)cc1

InChI Key: InChIKey=PVELWAKDYRMZML-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 = 50037194   

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)	BDBM50037194 (CHEMBL3355807) Show SMILES COc1ccc(NC(=S)N2CCN(CC2)c2nsc3ccccc23)cc1 Show InChI InChI=1S/C19H20N4OS2/c1-24-15-8-6-14(7-9-15)20-19(25)23-12-10-22(11-13-23)18-16-4-2-3-5-17(16)26-21-18/h2-9H,10-13H2,1H3,(H,20,25)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.86E+3	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