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SMILES: Oc1nc(cc(c1C#N)C(F)(F)F)-c1cccs1

InChI Key: InChIKey=UBBGOCKMIMCHLZ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50129066   

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
Metallo-beta-lactamase VIM-2 (Pseudomonas aeruginosa (g-Proteobacteria))	BDBM50129066 (CHEMBL3627736) Show SMILES Oc1nc(cc(c1C#N)C(F)(F)F)-c1cccs1 Show InChI InChI=1S/C11H5F3N2OS/c12-11(13,14)7-4-8(9-2-1-3-18-9)16-10(17)6(7)5-15/h1-4H,(H,16,17)	PDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	2.29E+5	n/a	n/a	n/a	n/a	n/a
UiT The Arctic University of Norway Curated by ChEMBL					Assay Description Binding affinity to Pseudomonas aeruginosa 301-5473 metallo-beta-lactamase VIM-2 expressed in Escherichia coli BL21(DE3) measured for 15 secs by SPR ...				J Med Chem 58: 8671-82 (2015) BindingDB Entry DOI: 10.7270/Q2959KCH
					More data for this Ligand-Target Pair
Metallo-beta-lactamase VIM-2 (Pseudomonas aeruginosa (g-Proteobacteria))	BDBM50129066 (CHEMBL3627736) Show SMILES Oc1nc(cc(c1C#N)C(F)(F)F)-c1cccs1 Show InChI InChI=1S/C11H5F3N2OS/c12-11(13,14)7-4-8(9-2-1-3-18-9)16-10(17)6(7)5-15/h1-4H,(H,16,17)	PDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.14E+5	n/a	n/a	n/a	n/a	n/a	n/a
UiT The Arctic University of Norway Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa 301-5473 metallo-beta-lactamase VIM-2 expressed in Escherichia coli BL21(DE3) using nitrocefin as substrate prei...				J Med Chem 58: 8671-82 (2015) BindingDB Entry DOI: 10.7270/Q2959KCH
					More data for this Ligand-Target Pair