BDBM50326506 2,2'-(4,4'-(2-(4-(3-chlorophenoxy)phenylcarbamoyl)-1,4-phenylene)bis(methylene)bis(oxy)bis(4,1-phenylene))bis(2-oxoacetic acid)::CHEMBL1240798

SMILES: OC(=O)C(=O)c1ccc(OCc2ccc(COc3ccc(cc3)C(=O)C(O)=O)c(c2)C(=O)Nc2ccc(Oc3cccc(F)c3)cc2)cc1

InChI Key: InChIKey=ZIXYQIWTPWMUAR-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 = 50326506   

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)	BDBM50326506 (2,2'-(4,4'-(2-(4-(3-chlorophenoxy)phenylcarbamoyl)...) Show SMILES OC(=O)C(=O)c1ccc(OCc2ccc(COc3ccc(cc3)C(=O)C(O)=O)c(c2)C(=O)Nc2ccc(Oc3cccc(F)c3)cc2)cc1 Show InChI InChI=1S/C37H26FNO10/c38-26-2-1-3-31(19-26)49-30-16-10-27(11-17-30)39-35(42)32-18-22(20-47-28-12-6-23(7-13-28)33(40)36(43)44)4-5-25(32)21-48-29-14-8-24(9-15-29)34(41)37(45)46/h1-19H,20-21H2,(H,39,42)(H,43,44)(H,45,46)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	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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