BDBM98799 US8487093, 188

SMILES: NCc1ccnc(NC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(O)(=O)=O)c1

InChI Key: InChIKey=KILBLDFFQRBEMS-ZJUUUORDSA-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 = 98799   

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)	BDBM98799 (US8487093, 188) Show SMILES NCc1ccnc(NC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(O)(=O)=O)c1 |r| Show InChI InChI=1S/C13H17N5O6S/c14-6-8-3-4-15-11(5-8)16-12(19)10-2-1-9-7-17(10)13(20)18(9)24-25(21,22)23/h3-5,9-10H,1-2,6-7,14H2,(H,15,16,19)(H,21,22,23)/t9-,10+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	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)	BDBM98799 (US8487093, 188) Show SMILES NCc1ccnc(NC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(O)(=O)=O)c1 |r| Show InChI InChI=1S/C13H17N5O6S/c14-6-8-3-4-15-11(5-8)16-12(19)10-2-1-9-7-17(10)13(20)18(9)24-25(21,22)23/h3-5,9-10H,1-2,6-7,14H2,(H,15,16,19)(H,21,22,23)/t9-,10+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.30E+3	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