BDBM262972 4-[4-[3-sulfamoyl-2-(1H-tetrazol-5- yl)-4- (trifluoromethyl)phenyl]cyclohexyl] piperidine-1-carboxamidine::US9708336, 825

SMILES: NC(=N)N1CCC(CC1)[C@H]1CC[C@@H](CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F

InChI Key:

Data: 3 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 3 hits for monomerid = 262972   

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)	BDBM262972 (4-[4-[3-sulfamoyl-2-(1H-tetrazol-5- yl)-4- (triflu...) Show SMILES NC(=N)N1CCC(CC1)[C@H]1CC[C@@H](CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F |r,wU:12.16,wD:9.9,(6,-6.16,;6,-4.62,;7.34,-3.85,;4.67,-3.85,;3.33,-4.62,;2,-3.85,;2,-2.31,;3.33,-1.54,;4.67,-2.31,;.67,-1.54,;.67,,;-.67,.77,;-2,,;-2,-1.54,;-.67,-2.31,;-3.33,.77,;-4.67,,;-6,.77,;-6,2.31,;-4.67,3.08,;-3.33,2.31,;-2,3.08,;-2,4.62,;-.54,5.1,;.37,3.85,;-.54,2.6,;-4.67,4.62,;-6.21,4.62,;-4.67,6.16,;-3.13,4.62,;-7.34,3.08,;-8.67,2.31,;-7.34,4.62,;-7.34,1.54,)| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.499	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
Beta-lactamase VIM-1 (Klebsiella pneumoniae)	BDBM262972 (4-[4-[3-sulfamoyl-2-(1H-tetrazol-5- yl)-4- (triflu...) Show SMILES NC(=N)N1CCC(CC1)[C@H]1CC[C@@H](CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F |r,wU:12.16,wD:9.9,(6,-6.16,;6,-4.62,;7.34,-3.85,;4.67,-3.85,;3.33,-4.62,;2,-3.85,;2,-2.31,;3.33,-1.54,;4.67,-2.31,;.67,-1.54,;.67,,;-.67,.77,;-2,,;-2,-1.54,;-.67,-2.31,;-3.33,.77,;-4.67,,;-6,.77,;-6,2.31,;-4.67,3.08,;-3.33,2.31,;-2,3.08,;-2,4.62,;-.54,5.1,;.37,3.85,;-.54,2.6,;-4.67,4.62,;-6.21,4.62,;-4.67,6.16,;-3.13,4.62,;-7.34,3.08,;-8.67,2.31,;-7.34,4.62,;-7.34,1.54,)| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0810	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
Beta-lactamase NDM-1 (Klebsiella pneumoniae)	BDBM262972 (4-[4-[3-sulfamoyl-2-(1H-tetrazol-5- yl)-4- (triflu...) Show SMILES NC(=N)N1CCC(CC1)[C@H]1CC[C@@H](CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F |r,wU:12.16,wD:9.9,(6,-6.16,;6,-4.62,;7.34,-3.85,;4.67,-3.85,;3.33,-4.62,;2,-3.85,;2,-2.31,;3.33,-1.54,;4.67,-2.31,;.67,-1.54,;.67,,;-.67,.77,;-2,,;-2,-1.54,;-.67,-2.31,;-3.33,.77,;-4.67,,;-6,.77,;-6,2.31,;-4.67,3.08,;-3.33,2.31,;-2,3.08,;-2,4.62,;-.54,5.1,;.37,3.85,;-.54,2.6,;-4.67,4.62,;-6.21,4.62,;-4.67,6.16,;-3.13,4.62,;-7.34,3.08,;-8.67,2.31,;-7.34,4.62,;-7.34,1.54,)| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.157	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