BDBM50518918 CHEMBL4569403

SMILES: COc1ccc2ccnc(N3CCN(CCCNc4cc(=O)oc5ccccc45)CC3)c2c1

InChI Key: InChIKey=YLKRJZMQGDSHIU-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50518918   

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 (Staphylococcus aureus)	BDBM50518918 (CHEMBL4569403) Show SMILES COc1ccc2ccnc(N3CCN(CCCNc4cc(=O)oc5ccccc45)CC3)c2c1 Show InChI InChI=1S/C26H28N4O3/c1-32-20-8-7-19-9-11-28-26(22(19)17-20)30-15-13-29(14-16-30)12-4-10-27-23-18-25(31)33-24-6-3-2-5-21(23)24/h2-3,5-9,11,17-18,27H,4,10,12-16H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Angelini S.p.A. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus ATCC 29213 DNA gyrase A assessed as reduction in enzyme-mediated supercoiling of relaxed pBR322 DNA by ethidium b...				J Med Chem 62: 7445-7472 (2019) Article DOI: 10.1021/acs.jmedchem.9b00394
					More data for this Ligand-Target Pair
DNA Topoisomerase IV Subunit A (Escherichia coli (strain K12))	BDBM50518918 (CHEMBL4569403) Show SMILES COc1ccc2ccnc(N3CCN(CCCNc4cc(=O)oc5ccccc45)CC3)c2c1 Show InChI InChI=1S/C26H28N4O3/c1-32-20-8-7-19-9-11-28-26(22(19)17-20)30-15-13-29(14-16-30)12-4-10-27-23-18-25(31)33-24-6-3-2-5-21(23)24/h2-3,5-9,11,17-18,27H,4,10,12-16H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Angelini S.p.A. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli ATCC 25922 DNA topoisomerase 4 subunit ParC assessed as reduction in decatenation of kinetoplast DNA incubated for 30 ...				J Med Chem 62: 7445-7472 (2019) Article DOI: 10.1021/acs.jmedchem.9b00394
					More data for this Ligand-Target Pair
DNA gyrase (Escherichia coli (strain K12))	BDBM50518918 (CHEMBL4569403) Show SMILES COc1ccc2ccnc(N3CCN(CCCNc4cc(=O)oc5ccccc45)CC3)c2c1 Show InChI InChI=1S/C26H28N4O3/c1-32-20-8-7-19-9-11-28-26(22(19)17-20)30-15-13-29(14-16-30)12-4-10-27-23-18-25(31)33-24-6-3-2-5-21(23)24/h2-3,5-9,11,17-18,27H,4,10,12-16H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Angelini S.p.A. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli ATCC 25922 DNA gyrase A assessed as reduction in enzyme-mediated supercoiling of relaxed pBR322 DNA by ethidium bromid...				J Med Chem 62: 7445-7472 (2019) Article DOI: 10.1021/acs.jmedchem.9b00394
					More data for this Ligand-Target Pair
Topoisomerase IV subunit A (Staphylococcus aureus)	BDBM50518918 (CHEMBL4569403) Show SMILES COc1ccc2ccnc(N3CCN(CCCNc4cc(=O)oc5ccccc45)CC3)c2c1 Show InChI InChI=1S/C26H28N4O3/c1-32-20-8-7-19-9-11-28-26(22(19)17-20)30-15-13-29(14-16-30)12-4-10-27-23-18-25(31)33-24-6-3-2-5-21(23)24/h2-3,5-9,11,17-18,27H,4,10,12-16H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Angelini S.p.A. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus ATCC 29213 DNA topoisomerase 4 subunit ParC assessed as reduction in decatenation of kinetoplast DNA incubated fo...				J Med Chem 62: 7445-7472 (2019) Article DOI: 10.1021/acs.jmedchem.9b00394
					More data for this Ligand-Target Pair