BDBM50422292 CHEMBL2303875

SMILES: OC[C@H]1O[C@H](Oc2ccc(CCCC(=O)N3CCC(CCCC4CCN(CC4)C(=O)CCCc4ccc(O[C@H]5O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)c(c4)-c4cccc(CC(O)=O)c4)CC3)cc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O

InChI Key: InChIKey=JYPLBCKOLIOONP-RCNFJOKHSA-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 = 50422292   

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))	BDBM50422292 (CHEMBL2303875) Show SMILES OC[C@H]1O[C@H](Oc2ccc(CCCC(=O)N3CCC(CCCC4CCN(CC4)C(=O)CCCc4ccc(O[C@H]5O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)c(c4)-c4cccc(CC(O)=O)c4)CC3)cc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C61H78N2O18/c64-34-48-54(72)56(74)58(76)60(80-48)78-46-18-16-38(30-44(46)42-12-2-10-40(28-42)32-52(68)69)8-4-14-50(66)62-24-20-36(21-25-62)6-1-7-37-22-26-63(27-23-37)51(67)15-5-9-39-17-19-47(79-61-59(77)57(75)55(73)49(35-65)81-61)45(31-39)43-13-3-11-41(29-43)33-53(70)71/h2-3,10-13,16-19,28-31,36-37,48-49,54-61,64-65,72-77H,1,4-9,14-15,20-27,32-35H2,(H,68,69)(H,70,71)/t48-,49-,54-,55-,56-,57-,58+,59+,60+,61+/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	1.50E+6	n/a	n/a	n/a	n/a	n/a	n/a
Texas Biotechnology Corporation Curated by ChEMBL					Assay Description Tested in vitro for the concentration to inhibit sLex bearing HL-60 cells binding to Selectin E-IgG fusion proteins by 50%.				J Med Chem 41: 1099-111 (1998) Article DOI: 10.1021/jm9704917 BindingDB Entry DOI: 10.7270/Q2BP03G4
					More data for this Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1 (Homo sapiens (Human))	BDBM50422292 (CHEMBL2303875) Show SMILES OC[C@H]1O[C@H](Oc2ccc(CCCC(=O)N3CCC(CCCC4CCN(CC4)C(=O)CCCc4ccc(O[C@H]5O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)c(c4)-c4cccc(CC(O)=O)c4)CC3)cc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C61H78N2O18/c64-34-48-54(72)56(74)58(76)60(80-48)78-46-18-16-38(30-44(46)42-12-2-10-40(28-42)32-52(68)69)8-4-14-50(66)62-24-20-36(21-25-62)6-1-7-37-22-26-63(27-23-37)51(67)15-5-9-39-17-19-47(79-61-59(77)57(75)55(73)49(35-65)81-61)45(31-39)43-13-3-11-41(29-43)33-53(70)71/h2-3,10-13,16-19,28-31,36-37,48-49,54-61,64-65,72-77H,1,4-9,14-15,20-27,32-35H2,(H,68,69)(H,70,71)/t48-,49-,54-,55-,56-,57-,58+,59+,60+,61+/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	1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Texas Biotechnology Corporation Curated by ChEMBL					Assay Description Tested in vitro for the concentration to inhibit sLex bearing HL-60 cells binding to Selectin P-IgG fusion proteins				J Med Chem 41: 1099-111 (1998) Article DOI: 10.1021/jm9704917 BindingDB Entry DOI: 10.7270/Q2BP03G4
					More data for this Ligand-Target Pair