BDBM50408430 CHEMBL2029023

SMILES: CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@@H](CO[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)NC(CCC(O)=O)C(=O)NC

InChI Key: InChIKey=MAIKFWYXJTYNCE-AOJFMXKTSA-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 = 50408430   

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))	BDBM50408430 (CHEMBL2029023) Show SMILES CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@@H](CO[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)NC(CCC(O)=O)C(=O)NC Show InChI InChI=1S/C44H83N3O11/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-33(29-27-25-23-21-19-17-15-13-11-9-7-5-2)40(53)47-35(32-57-44-39(52)37(50)38(51)43(56)58-44)42(55)46-34(41(54)45-3)30-31-36(48)49/h33-35,37-39,43-44,50-52,56H,4-32H2,1-3H3,(H,45,54)(H,46,55)(H,47,53)(H,48,49)/t34?,35-,37-,38-,39-,43+,44+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	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