BDBM50378436 CHEMBL578991

SMILES: CCNC(=O)Nc1cn2c(cc(cc2n1)-c1cccnc1)-c1nc(C)cc(n1)C(F)(F)F

InChI Key: InChIKey=JUEGEQYABKTKRI-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 = 50378436   

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)	BDBM50378436 (CHEMBL578991) Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1cccnc1)-c1nc(C)cc(n1)C(F)(F)F Show InChI InChI=1S/C21H18F3N7O/c1-3-26-20(32)30-17-11-31-15(19-27-12(2)7-16(28-19)21(22,23)24)8-14(9-18(31)29-17)13-5-4-6-25-10-13/h4-11H,3H2,1-2H3,(H2,26,30,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	546	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)	BDBM50378436 (CHEMBL578991) Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1cccnc1)-c1nc(C)cc(n1)C(F)(F)F Show InChI InChI=1S/C21H18F3N7O/c1-3-26-20(32)30-17-11-31-15(19-27-12(2)7-16(28-19)21(22,23)24)8-14(9-18(31)29-17)13-5-4-6-25-10-13/h4-11H,3H2,1-2H3,(H2,26,30,32)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	216	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