BDBM50047312 CHEMBL3313938

SMILES: CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(c(s1)C(O)=O)-c1cncnc1

InChI Key: InChIKey=AHFWNEDKDLPNEU-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 = 50047312   

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)	BDBM50047312 (CHEMBL3313938) Show SMILES CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(c(s1)C(O)=O)-c1cncnc1 |r| Show InChI InChI=1S/C20H20Cl2N6O4S/c1-9-13(21)14(22)16(25-9)18(29)26-11-3-4-28(7-12(11)32-2)20-27-15(17(33-20)19(30)31)10-5-23-8-24-6-10/h5-6,8,11-12,25H,3-4,7H2,1-2H3,(H,26,29)(H,30,31)/t11-,12+/m1/s1	UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	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)	BDBM50047312 (CHEMBL3313938) Show SMILES CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(c(s1)C(O)=O)-c1cncnc1 |r| Show InChI InChI=1S/C20H20Cl2N6O4S/c1-9-13(21)14(22)16(25-9)18(29)26-11-3-4-28(7-12(11)32-2)20-27-15(17(33-20)19(30)31)10-5-23-8-24-6-10/h5-6,8,11-12,25H,3-4,7H2,1-2H3,(H,26,29)(H,30,31)/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