BDBM50047322 CHEMBL3314531

SMILES: Cc1[nH]c(C(=O)N[C@@H]2CCN(C[C@@H]2OCC=C)c2ncc(s2)C(O)=O)c(Cl)c1Cl

InChI Key: InChIKey=FAQGXBJUPSKFSZ-MNOVXSKESA-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 = 50047322   

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)	BDBM50047322 (CHEMBL3314531) Show SMILES Cc1[nH]c(C(=O)N[C@@H]2CCN(C[C@@H]2OCC=C)c2ncc(s2)C(O)=O)c(Cl)c1Cl |r| Show InChI InChI=1S/C18H20Cl2N4O4S/c1-3-6-28-11-8-24(18-21-7-12(29-18)17(26)27)5-4-10(11)23-16(25)15-14(20)13(19)9(2)22-15/h3,7,10-11,22H,1,4-6,8H2,2H3,(H,23,25)(H,26,27)/t10-,11+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	150	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)	BDBM50047322 (CHEMBL3314531) Show SMILES Cc1[nH]c(C(=O)N[C@@H]2CCN(C[C@@H]2OCC=C)c2ncc(s2)C(O)=O)c(Cl)c1Cl |r| Show InChI InChI=1S/C18H20Cl2N4O4S/c1-3-6-28-11-8-24(18-21-7-12(29-18)17(26)27)5-4-10(11)23-16(25)15-14(20)13(19)9(2)22-15/h3,7,10-11,22H,1,4-6,8H2,2H3,(H,23,25)(H,26,27)/t10-,11+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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