BDBM50259169 CHEMBL4075133

SMILES: OC(=O)c1cccc(CN2CCC(CC2)NC(=O)c2cc(Br)c(Br)[nH]2)c1

InChI Key: InChIKey=COLZGNZZRJPXEZ-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 = 50259169   

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))	BDBM50259169 (CHEMBL4075133) Show SMILES OC(=O)c1cccc(CN2CCC(CC2)NC(=O)c2cc(Br)c(Br)[nH]2)c1 Show InChI InChI=1S/C18H19Br2N3O3/c19-14-9-15(22-16(14)20)17(24)21-13-4-6-23(7-5-13)10-11-2-1-3-12(8-11)18(25)26/h1-3,8-9,13,22H,4-7,10H2,(H,21,24)(H,25,26)	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))	BDBM50259169 (CHEMBL4075133) Show SMILES OC(=O)c1cccc(CN2CCC(CC2)NC(=O)c2cc(Br)c(Br)[nH]2)c1 Show InChI InChI=1S/C18H19Br2N3O3/c19-14-9-15(22-16(14)20)17(24)21-13-4-6-23(7-5-13)10-11-2-1-3-12(8-11)18(25)26/h1-3,8-9,13,22H,4-7,10H2,(H,21,24)(H,25,26)	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