BDBM50326505 2,2'-(4,4'-(2-(4-(3,4-dichlorophenoxy)phenylcarbamoyl)-1,4-phenylene)bis(methylene)bis(oxy)bis(4,1-phenylene))bis(2-oxoacetic acid)::CHEMBL1240797

SMILES: OC(=O)C(=O)c1ccc(OCc2ccc(COc3ccc(cc3)C(=O)C(O)=O)c(c2)C(=O)Nc2ccc(Oc3ccc(Cl)c(Cl)c3)cc2)cc1

InChI Key: InChIKey=VUOYIQPLEBJSJW-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 = 50326505   

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)	BDBM50326505 (2,2'-(4,4'-(2-(4-(3,4-dichlorophenoxy)phenylcarbam...) Show SMILES OC(=O)C(=O)c1ccc(OCc2ccc(COc3ccc(cc3)C(=O)C(O)=O)c(c2)C(=O)Nc2ccc(Oc3ccc(Cl)c(Cl)c3)cc2)cc1 Show InChI InChI=1S/C37H25Cl2NO10/c38-31-16-15-29(18-32(31)39)50-28-13-7-25(8-14-28)40-35(43)30-17-21(19-48-26-9-3-22(4-10-26)33(41)36(44)45)1-2-24(30)20-49-27-11-5-23(6-12-27)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	210	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
					More data for this Ligand-Target Pair