BDBM50129035 CHEMBL1778133

SMILES: Cn1c(S)nnc1C(F)(F)F

InChI Key: InChIKey=HUZASKHMPBJXJP-UHFFFAOYSA-N

Data: 1 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

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 = 50129035   

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 (VIM-2) (Pseudomonas aeruginosa (g-Proteobacteria))	BDBM50129035 (CHEMBL1778133) Show SMILES Cn1c(S)nnc1C(F)(F)F Show InChI InChI=1S/C4H4F3N3S/c1-10-2(4(5,6)7)8-9-3(10)11/h1H3,(H,9,11)	PDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	n/a	1.45E+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				3D Structure (crystal)
Metallo-beta-lactamase VIM-2 (VIM-2) (Pseudomonas aeruginosa (g-Proteobacteria))	BDBM50129035 (CHEMBL1778133) Show SMILES Cn1c(S)nnc1C(F)(F)F Show InChI InChI=1S/C4H4F3N3S/c1-10-2(4(5,6)7)8-9-3(10)11/h1H3,(H,9,11)	PDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	2.32E+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				3D Structure (crystal)