BDBM50378441 CHEMBL578138

SMILES: CCCCNC(=O)Nc1cn2c(cc(cc2n1)-c1cccnc1)-c1ncc(C)cn1

InChI Key: InChIKey=DGQOFSPXJPBFKY-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 = 50378441   

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)	BDBM50378441 (CHEMBL578138) Show SMILES CCCCNC(=O)Nc1cn2c(cc(cc2n1)-c1cccnc1)-c1ncc(C)cn1 Show InChI InChI=1S/C22H23N7O/c1-3-4-8-24-22(30)28-19-14-29-18(21-25-11-15(2)12-26-21)9-17(10-20(29)27-19)16-6-5-7-23-13-16/h5-7,9-14H,3-4,8H2,1-2H3,(H2,24,28,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.75E+3	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)	BDBM50378441 (CHEMBL578138) Show SMILES CCCCNC(=O)Nc1cn2c(cc(cc2n1)-c1cccnc1)-c1ncc(C)cn1 Show InChI InChI=1S/C22H23N7O/c1-3-4-8-24-22(30)28-19-14-29-18(21-25-11-15(2)12-26-21)9-17(10-20(29)27-19)16-6-5-7-23-13-16/h5-7,9-14H,3-4,8H2,1-2H3,(H2,24,28,30)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	261	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