BDBM98748 US8487093, 102

SMILES: OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)N[C@H]2CCN(C3CCNCC3)C2=O)C1=O

InChI Key: InChIKey=WSTRNZBLNKKHSG-AGIUHOORSA-N

Data: 2 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 2 hits for monomerid = 98748   

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
Beta-lactamase (AmpC) (Pseudomonas aeruginosa)	BDBM98748 (US8487093, 102) Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)N[C@H]2CCN(C3CCNCC3)C2=O)C1=O |r| Show InChI InChI=1S/C16H25N5O7S/c22-14(18-12-5-8-19(15(12)23)10-3-6-17-7-4-10)13-2-1-11-9-20(13)16(24)21(11)28-29(25,26)27/h10-13,17H,1-9H2,(H,18,22)(H,25,26,27)/t11-,12+,13+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.				US Patent US8487093 (2013) BindingDB Entry DOI: 10.7270/Q2057DKK
					More data for this Ligand-Target Pair
Beta-lactamase (KPC-2) (Klebsiella pneumoniae)	BDBM98748 (US8487093, 102) Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)N[C@H]2CCN(C3CCNCC3)C2=O)C1=O |r| Show InChI InChI=1S/C16H25N5O7S/c22-14(18-12-5-8-19(15(12)23)10-3-6-17-7-4-10)13-2-1-11-9-20(13)16(24)21(11)28-29(25,26)27/h10-13,17H,1-9H2,(H,18,22)(H,25,26,27)/t11-,12+,13+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.				US Patent US8487093 (2013) BindingDB Entry DOI: 10.7270/Q2057DKK
					More data for this Ligand-Target Pair