BDBM50215368 CHEMBL3215455

SMILES: CCO[C@@H]1O[C@@H](CO)[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@@H]2O)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1NC(C)=O

InChI Key: InChIKey=SAWBEVFZBVFCHX-HLIYZBRVSA-N

Data: 2 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 2 hits for monomerid = 50215368   

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 (Homo sapiens (Human))	BDBM50215368 (CHEMBL3215455) Show SMILES CCO[C@@H]1O[C@@H](CO)[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@@H]2O)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1NC(C)=O Show InChI InChI=1S/C33H56N2O23/c1-5-51-29-18(35-12(4)40)27(56-30-23(47)22(46)19(43)10(2)52-30)25(16(9-38)54-29)55-31-24(48)28(21(45)15(8-37)53-31)58-33(32(49)50)6-13(41)17(34-11(3)39)26(57-33)20(44)14(42)7-36/h10,13-31,36-38,41-48H,5-9H2,1-4H3,(H,34,39)(H,35,40)(H,49,50)/t10-,13+,14+,15-,16-,17+,18-,19+,20+,21-,22-,23-,24-,25+,26+,27+,28-,29+,30-,31-,33-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Tested in vitro to inhibit cell adhesion of HL-60 cells to recombinant human soluble Selectin E				Citation and Details BindingDB Entry DOI: 10.7270/Q28S4S3D
					More data for this Ligand-Target Pair
Selectin E (Homo sapiens (Human))	BDBM50215368 (CHEMBL3215455) Show SMILES CCO[C@@H]1O[C@@H](CO)[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@@H]2O)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1NC(C)=O Show InChI InChI=1S/C33H56N2O23/c1-5-51-29-18(35-12(4)40)27(56-30-23(47)22(46)19(43)10(2)52-30)25(16(9-38)54-29)55-31-24(48)28(21(45)15(8-37)53-31)58-33(32(49)50)6-13(41)17(34-11(3)39)26(57-33)20(44)14(42)7-36/h10,13-31,36-38,41-48H,5-9H2,1-4H3,(H,34,39)(H,35,40)(H,49,50)/t10-,13+,14+,15-,16-,17+,18-,19+,20+,21-,22-,23-,24-,25+,26+,27+,28-,29+,30-,31-,33-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.50E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against adhesion of HL-60(human promyclocytic leukemia cells) to recombinant human soluble E-selec...				Bioorg Med Chem Lett 7: 989-992 (1997) Article DOI: 10.1016/S0960-894X(97)00156-X BindingDB Entry DOI: 10.7270/Q2H995Q8
					More data for this Ligand-Target Pair