null

SMILES: NS(=O)(=O)c1c(ccc(-c2ccc(cc2)C2CCN(CC2)C2CNC2)c1-c1nnn[nH]1)C(F)(F)F

InChI Key: InChIKey=XNYAKSAITQEMBK-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 262943   

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 type 2 (Serratia marcescens)	BDBM262943 (4'-(1-azetidin-3- ylpiperidin-4-yl)-2-(1H- tetrazo...) Show SMILES NS(=O)(=O)c1c(ccc(-c2ccc(cc2)C2CCN(CC2)C2CNC2)c1-c1nnn[nH]1)C(F)(F)F Show InChI InChI=1S/C22H24F3N7O2S/c23-22(24,25)18-6-5-17(19(20(18)35(26,33)34)21-28-30-31-29-21)15-3-1-13(2-4-15)14-7-9-32(10-8-14)16-11-27-12-16/h1-6,14,16,27H,7-12H2,(H2,26,33,34)(H,28,29,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.345	n/a	n/a	n/a	n/a	7.0	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...				US Patent US9708336 (2017) BindingDB Entry DOI: 10.7270/Q2FN186K
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM262943 (4'-(1-azetidin-3- ylpiperidin-4-yl)-2-(1H- tetrazo...) Show SMILES NS(=O)(=O)c1c(ccc(-c2ccc(cc2)C2CCN(CC2)C2CNC2)c1-c1nnn[nH]1)C(F)(F)F Show InChI InChI=1S/C22H24F3N7O2S/c23-22(24,25)18-6-5-17(19(20(18)35(26,33)34)21-28-30-31-29-21)15-3-1-13(2-4-15)14-7-9-32(10-8-14)16-11-27-12-16/h1-6,14,16,27H,7-12H2,(H2,26,33,34)(H,28,29,30,31)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	7.0	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...				US Patent US9708336 (2017) BindingDB Entry DOI: 10.7270/Q2FN186K
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM262943 (4'-(1-azetidin-3- ylpiperidin-4-yl)-2-(1H- tetrazo...) Show SMILES NS(=O)(=O)c1c(ccc(-c2ccc(cc2)C2CCN(CC2)C2CNC2)c1-c1nnn[nH]1)C(F)(F)F Show InChI InChI=1S/C22H24F3N7O2S/c23-22(24,25)18-6-5-17(19(20(18)35(26,33)34)21-28-30-31-29-21)15-3-1-13(2-4-15)14-7-9-32(10-8-14)16-11-27-12-16/h1-6,14,16,27H,7-12H2,(H2,26,33,34)(H,28,29,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.06	n/a	n/a	n/a	n/a	7.0	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...				US Patent US9708336 (2017) BindingDB Entry DOI: 10.7270/Q2FN186K
					More data for this Ligand-Target Pair