BDBM50202004 CHEMBL3921436

SMILES: Clc1ccc2c(ccnc2c1)N1CCN(CC1)C(=O)c1ccccn1

InChI Key: InChIKey=IAPZLHDXFMEDRZ-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 = 50202004   

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)	BDBM50202004 (CHEMBL3921436) Show SMILES Clc1ccc2c(ccnc2c1)N1CCN(CC1)C(=O)c1ccccn1 Show InChI InChI=1S/C19H17ClN4O/c20-14-4-5-15-17(13-14)22-8-6-18(15)23-9-11-24(12-10-23)19(25)16-3-1-2-7-21-16/h1-8,13H,9-12H2	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	1.10E+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