BDBM50378420 CHEMBL565750

SMILES: CCNC(=O)Nc1cn2c(cc(cc2n1)-c1ccn(CC)c(=O)c1)-c1ncc(C)cn1

InChI Key: InChIKey=QGUJQBAWWLBPDZ-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 = 50378420   

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)	BDBM50378420 (CHEMBL565750) Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1ccn(CC)c(=O)c1)-c1ncc(C)cn1 Show InChI InChI=1S/C22H23N7O2/c1-4-23-22(31)27-18-13-29-17(21-24-11-14(3)12-25-21)8-16(9-19(29)26-18)15-6-7-28(5-2)20(30)10-15/h6-13H,4-5H2,1-3H3,(H2,23,27,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	624	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)	BDBM50378420 (CHEMBL565750) Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1ccn(CC)c(=O)c1)-c1ncc(C)cn1 Show InChI InChI=1S/C22H23N7O2/c1-4-23-22(31)27-18-13-29-17(21-24-11-14(3)12-25-21)8-16(9-19(29)26-18)15-6-7-28(5-2)20(30)10-15/h6-13H,4-5H2,1-3H3,(H2,23,27,31)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	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