BDBM50202116 CHEMBL3986544

SMILES: Clc1ccc(NC(=S)N2CCN(CC2)c2ccnc3cc(Cl)ccc23)cc1

InChI Key: InChIKey=QGMUOKONHHLBLX-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 = 50202116   

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)	BDBM50202116 (CHEMBL3986544) Show SMILES Clc1ccc(NC(=S)N2CCN(CC2)c2ccnc3cc(Cl)ccc23)cc1 Show InChI InChI=1S/C20H18Cl2N4S/c21-14-1-4-16(5-2-14)24-20(27)26-11-9-25(10-12-26)19-7-8-23-18-13-15(22)3-6-17(18)19/h1-8,13H,9-12H2,(H,24,27)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis 155 6His-tagged DNA gyrase B catalytic domain ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS ce...				Eur J Med Chem 122: 216-231 (2016) Article DOI: 10.1016/j.ejmech.2016.06.042 BindingDB Entry DOI: 10.7270/Q2DB83TT
					More data for this Ligand-Target Pair