BDBM50047000 CHEMBL3314550

SMILES: CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc2cccc(C(O)=O)c2s1

InChI Key: InChIKey=JWLOBYCHDYSGSJ-YPMHNXCESA-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 = 50047000   

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)	BDBM50047000 (CHEMBL3314550) Show SMILES CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc2cccc(C(O)=O)c2s1 |r| Show InChI InChI=1S/C20H20Cl2N4O4S/c1-9-14(21)15(22)16(23-9)18(27)24-11-6-7-26(8-13(11)30-2)20-25-12-5-3-4-10(19(28)29)17(12)31-20/h3-5,11,13,23H,6-8H2,1-2H3,(H,24,27)(H,28,29)/t11-,13+/m1/s1	UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	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)	BDBM50047000 (CHEMBL3314550) Show SMILES CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc2cccc(C(O)=O)c2s1 |r| Show InChI InChI=1S/C20H20Cl2N4O4S/c1-9-14(21)15(22)16(23-9)18(27)24-11-6-7-26(8-13(11)30-2)20-25-12-5-3-4-10(19(28)29)17(12)31-20/h3-5,11,13,23H,6-8H2,1-2H3,(H,24,27)(H,28,29)/t11-,13+/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