BDBM50378447 CHEMBL577909

SMILES: CCNC(=O)Nc1cn2c(cc(cc2n1)-c1cnc(nc1)N(C)C)-c1nccc(C)n1

InChI Key: InChIKey=ADEXQHKYMJSASG-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 = 50378447   

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)	BDBM50378447 (CHEMBL577909) Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1cnc(nc1)N(C)C)-c1nccc(C)n1 Show InChI InChI=1S/C21H23N9O/c1-5-22-21(31)28-17-12-30-16(19-23-7-6-13(2)26-19)8-14(9-18(30)27-17)15-10-24-20(25-11-15)29(3)4/h6-12H,5H2,1-4H3,(H2,22,28,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	424	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)	BDBM50378447 (CHEMBL577909) Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1cnc(nc1)N(C)C)-c1nccc(C)n1 Show InChI InChI=1S/C21H23N9O/c1-5-22-21(31)28-17-12-30-16(19-23-7-6-13(2)26-19)8-14(9-18(30)27-17)15-10-24-20(25-11-15)29(3)4/h6-12H,5H2,1-4H3,(H2,22,28,31)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	113	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