BDBM50047287 CHEMBL3314574

SMILES: CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(C(=O)NN2CCOCC2)c(s1)C(O)=O

InChI Key: InChIKey=SJUMWFCISJATFN-NEPJUHHUSA-N

Data: 2 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 2 hits for monomerid = 50047287   

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
Toxin ParE (Escherichia coli)	BDBM50047287 (CHEMBL3314574) Show SMILES CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(C(=O)NN2CCOCC2)c(s1)C(O)=O |r| Show InChI InChI=1S/C21H26Cl2N6O6S/c1-10-13(22)14(23)15(24-10)18(30)25-11-3-4-28(9-12(11)34-2)21-26-16(17(36-21)20(32)33)19(31)27-29-5-7-35-8-6-29/h11-12,24H,3-9H2,1-2H3,(H,25,30)(H,27,31)(H,32,33)/t11-,12+/m1/s1	UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ATPase activity of Escherichia coli ParE				J Med Chem 57: 6060-82 (2014) Article DOI: 10.1021/jm500462x BindingDB Entry DOI: 10.7270/Q24J0GR1
					More data for this Ligand-Target Pair
DNA Gyrase Subunit B (Staphylococcus aureus)	BDBM50047287 (CHEMBL3314574) Show SMILES CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(C(=O)NN2CCOCC2)c(s1)C(O)=O |r| Show InChI InChI=1S/C21H26Cl2N6O6S/c1-10-13(22)14(23)15(24-10)18(30)25-11-3-4-28(9-12(11)34-2)21-26-16(17(36-21)20(32)33)19(31)27-29-5-7-35-8-6-29/h11-12,24H,3-9H2,1-2H3,(H,25,30)(H,27,31)(H,32,33)/t11-,12+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ATPase activity of Staphylococcus aureus GyrB				J Med Chem 57: 6060-82 (2014) Article DOI: 10.1021/jm500462x BindingDB Entry DOI: 10.7270/Q24J0GR1
					More data for this Ligand-Target Pair