BDBM50521804 CHEMBL4581035

SMILES: CCNC(=O)Nc1cc(Nc2ccc(OC)cc2)c(cn1)C(=O)Nc1cccnc1

InChI Key: InChIKey=FSOAZMGZMXDGQX-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50521804   

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 A (Escherichia coli)	BDBM50521804 (CHEMBL4581035) Show SMILES CCNC(=O)Nc1cc(Nc2ccc(OC)cc2)c(cn1)C(=O)Nc1cccnc1 Show InChI InChI=1S/C21H22N6O3/c1-3-23-21(29)27-19-11-18(25-14-6-8-16(30-2)9-7-14)17(13-24-19)20(28)26-15-5-4-10-22-12-15/h4-13H,3H2,1-2H3,(H,26,28)(H3,23,24,25,27,29)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
University of Leeds Curated by ChEMBL					Assay Description Inhibition of Escherichia coli DNA gyrase(A2B2 tetramer) preincubated for 5 mins followed by ATP addition and measured once per minute for 20 to 30 m...				Bioorg Med Chem 27: 3546-3550 (2019) Article DOI: 10.1016/j.bmc.2019.06.015
					More data for this Ligand-Target Pair