BDBM50326512 2,2'-(4,4'-(2-(4-(4-cyanophenoxy)phenylcarbamoyl)-1,4-phenylene)bis(methylene)bis(oxy)bis(4,1-phenylene))bis(2-oxoacetic acid)::CHEMBL1240804

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

InChI Key: InChIKey=GTBFPQYBDIGHDD-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 = 50326512   

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)	BDBM50326512 (2,2'-(4,4'-(2-(4-(4-cyanophenoxy)phenylcarbamoyl)-...) Show SMILES OC(=O)C(=O)c1ccc(OCc2ccc(COc3ccc(cc3)C(=O)C(O)=O)c(c2)C(=O)Nc2ccc(Oc3ccc(cc3)C#N)cc2)cc1 Show InChI InChI=1S/C38H26N2O10/c39-20-23-2-11-31(12-3-23)50-32-17-9-28(10-18-32)40-36(43)33-19-24(21-48-29-13-5-25(6-14-29)34(41)37(44)45)1-4-27(33)22-49-30-15-7-26(8-16-30)35(42)38(46)47/h1-19H,21-22H2,(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	1.30E+3	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