BDBM50395897 CHEMBL2164192

SMILES: COc1ccc(-c2cc(CC[C@](C)(C(=O)NO)S(C)(=O)=O)on2)c(F)c1

InChI Key: InChIKey=DJLDAJVHUGRNKZ-MRXNPFEDSA-N

Data: 1 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 1 hit for monomerid = 50395897   

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)	BDBM50395897 (CHEMBL2164192) Show SMILES COc1ccc(-c2cc(CC[C@](C)(C(=O)NO)S(C)(=O)=O)on2)c(F)c1 |r| Show InChI InChI=1S/C16H19FN2O6S/c1-16(15(20)18-21,26(3,22)23)7-6-11-9-14(19-25-11)12-5-4-10(24-2)8-13(12)17/h4-5,8-9,21H,6-7H2,1-3H3,(H,18,20)/t16-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa LpxC				Bioorg Med Chem Lett 22: 6832-8 (2012) Article DOI: 10.1016/j.bmcl.2012.09.058 BindingDB Entry DOI: 10.7270/Q2GF0VMV
					More data for this Ligand-Target Pair