BDBM135528 US8853258, 179

SMILES: C[C@@](CCc1ccc(cc1)-c1ccc(OCCCN2CCOCC2)cc1)(C(=O)NO)S(C)(=O)=O

InChI Key: InChIKey=GGIDQMXKOSYOHO-RUZDIDTESA-N

Data: 1 IC50

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 1 hit for monomerid = 135528   

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
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM135528 (US8853258, 179) Show SMILES C[C@@](CCc1ccc(cc1)-c1ccc(OCCCN2CCOCC2)cc1)(C(=O)NO)S(C)(=O)=O Show InChI InChI=1S/C25H34N2O6S/c1-25(24(28)26-29,34(2,30)31)13-12-20-4-6-21(7-5-20)22-8-10-23(11-9-22)33-17-3-14-27-15-18-32-19-16-27/h4-11,29H,3,12-19H2,1-2H3,(H,26,28)/t25-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	0.172	n/a	n/a	n/a	n/a	8.0	n/a
Pfizer Inc. US Patent					Assay Description IC50 determination in the LpxC enzyme assay was carried out in a similar manner to that described by Malikzay et al in the 2006 Poster, Screening Lpx...				US Patent US8853258 (2014) BindingDB Entry DOI: 10.7270/Q25M64DP
					More data for this Ligand-Target Pair				3D Structure (crystal)