BDBM50064882 4-[(S)-(R)-3-[3,4-Dihydroxy-5-(1-hydroxy-ethyl)-tetrahydro-furan-2-yloxy]-2-(2-tetradecyl-hexadecanoylamino)-propionylamino]-4-methylcarbamoyl-butyrate(S)-1-formyl-4-guanidino-butyl-ammonium;::CHEMBL305648

SMILES: CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@H](COC1OC(C(C)O)C(O)C1O)C(=O)NC(CCC([O-])=O)C(=O)NC

InChI Key: InChIKey=WKTMUEATCAIVGL-RZTGEYPLSA-M

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 = 50064882   

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 (Homo sapiens (Human))	BDBM50064882 (4-[(S)-(R)-3-[3,4-Dihydroxy-5-(1-hydroxy-ethyl)-te...) Show SMILES CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@H](COC1OC(C(C)O)C(O)C1O)C(=O)NC(CCC([O-])=O)C(=O)NC Show InChI InChI=1S/C45H85N3O10/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-35(30-28-26-24-22-20-18-16-14-12-10-8-6-2)42(54)48-37(33-57-45-40(53)39(52)41(58-45)34(3)49)44(56)47-36(43(55)46-4)31-32-38(50)51/h34-37,39-41,45,49,52-53H,5-33H2,1-4H3,(H,46,55)(H,47,56)(H,48,54)(H,50,51)/p-1/t34?,36?,37-,39?,40?,41?,45?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kanebo Curated by ChEMBL					Assay Description In vitro inhibitory activity against Selectin E-sialyl Lewis X (sLex) binding				J Med Chem 41: 2302-7 (1998) Article DOI: 10.1021/jm9707481 BindingDB Entry DOI: 10.7270/Q2T43TST
					More data for this Ligand-Target Pair