BDBM50378450 CHEMBL578361

SMILES: CCNC(=O)Nc1cn2c(cc(cc2n1)-c1cncnc1)-c1ncccn1

InChI Key: InChIKey=XPIBGMJVUKLMNV-UHFFFAOYSA-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 = 50378450   

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
ParE (Streptococcus pneumoniae)	BDBM50378450 (CHEMBL578361) Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1cncnc1)-c1ncccn1 Show InChI InChI=1S/C18H16N8O/c1-2-21-18(27)25-15-10-26-14(17-22-4-3-5-23-17)6-12(7-16(26)24-15)13-8-19-11-20-9-13/h3-11H,2H2,1H3,(H2,21,25,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae SP-3 parE after 30 mins				Bioorg Med Chem Lett 19: 5302-6 (2009) Article DOI: 10.1016/j.bmcl.2009.07.141 BindingDB Entry DOI: 10.7270/Q23X87KD
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Streptococcus pneumoniae)	BDBM50378450 (CHEMBL578361) Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1cncnc1)-c1ncccn1 Show InChI InChI=1S/C18H16N8O/c1-2-21-18(27)25-15-10-26-14(17-22-4-3-5-23-17)6-12(7-16(26)24-15)13-8-19-11-20-9-13/h3-11H,2H2,1H3,(H2,21,25,27)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae SP-3 gyrB by enzyme coupled phosphate assay				Bioorg Med Chem Lett 19: 5302-6 (2009) Article DOI: 10.1016/j.bmcl.2009.07.141 BindingDB Entry DOI: 10.7270/Q23X87KD
					More data for this Ligand-Target Pair