BDBM50259168 CHEMBL4062117

SMILES: OC(=O)CCC(=O)N1CCC(CC1)N(Cc1ccccc1)C(=O)c1cc(Br)c(Br)[nH]1

InChI Key: InChIKey=RQQXTCCQVVEUMT-UHFFFAOYSA-N

Data: 1 IC50  1 Kd

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 2 hits for monomerid = 50259168   

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 (Escherichia coli (strain K12))	BDBM50259168 (CHEMBL4062117) Show SMILES OC(=O)CCC(=O)N1CCC(CC1)N(Cc1ccccc1)C(=O)c1cc(Br)c(Br)[nH]1 Show InChI InChI=1S/C21H23Br2N3O4/c22-16-12-17(24-20(16)23)21(30)26(13-14-4-2-1-3-5-14)15-8-10-25(11-9-15)18(27)6-7-19(28)29/h1-5,12,15,24H,6-11,13H2,(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of Escherichia coli ATCC 25922 DNA gyrase B using relaxed pNO1 DNA as substrate incubated for 30 mins and measured by sybrGOLD staining ba...				Eur J Med Chem 125: 500-514 (2017) Article DOI: 10.1016/j.ejmech.2016.09.040 BindingDB Entry DOI: 10.7270/Q27W6FNX
					More data for this Ligand-Target Pair
DNA Gyrase Subunit B (Escherichia coli (strain K12))	BDBM50259168 (CHEMBL4062117) Show SMILES OC(=O)CCC(=O)N1CCC(CC1)N(Cc1ccccc1)C(=O)c1cc(Br)c(Br)[nH]1 Show InChI InChI=1S/C21H23Br2N3O4/c22-16-12-17(24-20(16)23)21(30)26(13-14-4-2-1-3-5-14)15-8-10-25(11-9-15)18(27)6-7-19(28)29/h1-5,12,15,24H,6-11,13H2,(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.12E+4	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Binding affinity to Escherichia coli ATCC 25922 DNA gyrase B by surface plasmon resonance assay				Eur J Med Chem 125: 500-514 (2017) Article DOI: 10.1016/j.ejmech.2016.09.040 BindingDB Entry DOI: 10.7270/Q27W6FNX
					More data for this Ligand-Target Pair