BDBM50440124 CHEMBL2426232

SMILES: Nc1nnc(o1)-c1cccc(c1)C(F)(F)F

InChI Key: InChIKey=SFKXKVUEXCFQLZ-UHFFFAOYSA-N

Data: 1 Kd  2 EC50

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 3 hits for monomerid = 50440124   

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
Transcriptional regulator MvfR (Pseudomonas aeruginosa PA14)	BDBM50440124 (CHEMBL2426232) Show SMILES Nc1nnc(o1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C9H6F3N3O/c10-9(11,12)6-3-1-2-5(4-6)7-14-15-8(13)16-7/h1-4H,(H2,13,15)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.85E+4	n/a	n/a	n/a	n/a
Helmholtz-Institute for Pharmaceutical Research Saarland Curated by ChEMBL					Assay Description Antagonist activity at Pseudomonas aeruginosa PA14 PqsR expressed in pqs gene-deficient Pseudomonas aeruginosa PA14 by beta-galactosidase reporter ge...				J Med Chem 56: 6761-74 (2013) Article DOI: 10.1021/jm400830r BindingDB Entry DOI: 10.7270/Q2T72JV2
					More data for this Ligand-Target Pair
Transcriptional regulator MvfR (Pseudomonas aeruginosa PA14)	BDBM50440124 (CHEMBL2426232) Show SMILES Nc1nnc(o1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C9H6F3N3O/c10-9(11,12)6-3-1-2-5(4-6)7-14-15-8(13)16-7/h1-4H,(H2,13,15)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a
Helmholtz-Institute for Pharmaceutical Research Saarland Curated by ChEMBL					Assay Description Binding affinity to Pseudomonas aeruginosa PA14 biotinylated His6SUMO-tagged PqsR expressed in Eschericia coli BL21 (lamda DE3) by isothermal titrati...				J Med Chem 56: 6761-74 (2013) Article DOI: 10.1021/jm400830r BindingDB Entry DOI: 10.7270/Q2T72JV2
					More data for this Ligand-Target Pair
Transcriptional regulator MvfR (Pseudomonas aeruginosa PA14)	BDBM50440124 (CHEMBL2426232) Show SMILES Nc1nnc(o1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C9H6F3N3O/c10-9(11,12)6-3-1-2-5(4-6)7-14-15-8(13)16-7/h1-4H,(H2,13,15)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a
Helmholtz-Institute for Pharmaceutical Research Saarland Curated by ChEMBL					Assay Description Antagonist activity at Pseudomonas aeruginosa PA14 PqsR expressed in Eschericia coli DH5-alpha assessed as inhibition of PQS-induced protein activati...				J Med Chem 56: 6761-74 (2013) Article DOI: 10.1021/jm400830r BindingDB Entry DOI: 10.7270/Q2T72JV2
					More data for this Ligand-Target Pair