BDBM50087288 5-[4-Carboxy-2-(4-octadecanoylamino-benzoylamino)-phenoxy]-isophthalic acid::CHEMBL289883

SMILES: CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1Oc1cc(cc(c1)C(O)=O)C(O)=O)C(O)=O

InChI Key: InChIKey=RJDPPFGDOQJPLN-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 = 50087288   

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
Selectin E (Mus musculus)	BDBM50087288 (5-[4-Carboxy-2-(4-octadecanoylamino-benzoylamino)-...) Show SMILES CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1Oc1cc(cc(c1)C(O)=O)C(O)=O)C(O)=O Show InChI InChI=1S/C40H50N2O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-36(43)41-32-21-18-28(19-22-32)37(44)42-34-27-29(38(45)46)20-23-35(34)51-33-25-30(39(47)48)24-31(26-33)40(49)50/h18-27H,2-17H2,1H3,(H,41,43)(H,42,44)(H,45,46)(H,47,48)(H,49,50)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Organon K.K. Curated by ChEMBL					Assay Description Evaluated for the inhibitory activity against Selectin E				J Med Chem 43: 1476-83 (2000) BindingDB Entry DOI: 10.7270/Q2K64JRZ
					More data for this Ligand-Target Pair