BDBM50518941 CHEMBL4465361

SMILES: O[C@H](CNc1cc(=O)oc2ccccc12)CN1CCN(CC1)c1nccc2ccc(F)cc12

InChI Key: InChIKey=SJCCHHKLFODASY-LJQANCHMSA-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 = 50518941   

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)	BDBM50518941 (CHEMBL4465361) Show SMILES O[C@H](CNc1cc(=O)oc2ccccc12)CN1CCN(CC1)c1nccc2ccc(F)cc12 |r| Show InChI InChI=1S/C25H25FN4O3/c26-18-6-5-17-7-8-27-25(21(17)13-18)30-11-9-29(10-12-30)16-19(31)15-28-22-14-24(32)33-23-4-2-1-3-20(22)23/h1-8,13-14,19,28,31H,9-12,15-16H2/t19-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+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))	BDBM50518941 (CHEMBL4465361) Show SMILES O[C@H](CNc1cc(=O)oc2ccccc12)CN1CCN(CC1)c1nccc2ccc(F)cc12 |r| Show InChI InChI=1S/C25H25FN4O3/c26-18-6-5-17-7-8-27-25(21(17)13-18)30-11-9-29(10-12-30)16-19(31)15-28-22-14-24(32)33-23-4-2-1-3-20(22)23/h1-8,13-14,19,28,31H,9-12,15-16H2/t19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+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 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
Topoisomerase IV subunit A (Staphylococcus aureus)	BDBM50518941 (CHEMBL4465361) Show SMILES O[C@H](CNc1cc(=O)oc2ccccc12)CN1CCN(CC1)c1nccc2ccc(F)cc12 |r| Show InChI InChI=1S/C25H25FN4O3/c26-18-6-5-17-7-8-27-25(21(17)13-18)30-11-9-29(10-12-30)16-19(31)15-28-22-14-24(32)33-23-4-2-1-3-20(22)23/h1-8,13-14,19,28,31H,9-12,15-16H2/t19-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+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
DNA gyrase (Escherichia coli (strain K12))	BDBM50518941 (CHEMBL4465361) Show SMILES O[C@H](CNc1cc(=O)oc2ccccc12)CN1CCN(CC1)c1nccc2ccc(F)cc12 |r| Show InChI InChI=1S/C25H25FN4O3/c26-18-6-5-17-7-8-27-25(21(17)13-18)30-11-9-29(10-12-30)16-19(31)15-28-22-14-24(32)33-23-4-2-1-3-20(22)23/h1-8,13-14,19,28,31H,9-12,15-16H2/t19-/m1/s1	PDB MMDB KEGG 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 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