BDBM50326510 2,2'-(4,4'-(2-(4-(2,4-difluorophenoxy)phenylcarbamoyl)-1,4-phenylene)bis(methylene)bis(oxy)bis(4,1-phenylene))bis(2-oxoacetic acid)::CHEMBL1240802

SMILES: OC(=O)C(=O)c1ccc(OCc2ccc(COc3ccc(cc3)C(=O)C(O)=O)c(c2)C(=O)Nc2ccc(Oc3ccc(F)cc3F)cc2)cc1

InChI Key: InChIKey=BRCOBCQGTAMLJC-UHFFFAOYSA-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 = 50326510   

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
Secreted effector protein (Yersinia pestis)	BDBM50326510 (2,2'-(4,4'-(2-(4-(2,4-difluorophenoxy)phenylcarbam...) Show SMILES OC(=O)C(=O)c1ccc(OCc2ccc(COc3ccc(cc3)C(=O)C(O)=O)c(c2)C(=O)Nc2ccc(Oc3ccc(F)cc3F)cc2)cc1 Show InChI InChI=1S/C37H25F2NO10/c38-25-7-16-32(31(39)18-25)50-29-14-8-26(9-15-29)40-35(43)30-17-21(19-48-27-10-3-22(4-11-27)33(41)36(44)45)1-2-24(30)20-49-28-12-5-23(6-13-28)34(42)37(46)47/h1-18H,19-20H2,(H,40,43)(H,44,45)(H,46,47)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
Brown University Curated by ChEMBL					Assay Description Inhibition of Yersinia pestis YOpH				J Med Chem 53: 6768-72 (2010) Article DOI: 10.1021/jm100528p BindingDB Entry DOI: 10.7270/Q2988777
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