BDBM50037084 CHEMBL3355797

SMILES: Clc1ccc(NC(=O)N2CCN(CC2)c2nsc3ccccc23)cc1

InChI Key: InChIKey=QTNUSHNFNCQFCP-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 = 50037084   

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)	BDBM50037084 (CHEMBL3355797) Show SMILES Clc1ccc(NC(=O)N2CCN(CC2)c2nsc3ccccc23)cc1 Show InChI InChI=1S/C18H17ClN4OS/c19-13-5-7-14(8-6-13)20-18(24)23-11-9-22(10-12-23)17-15-3-1-2-4-16(15)25-21-17/h1-8H,9-12H2,(H,20,24)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.77E+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