BDBM50422288 CHEMBL2303876

SMILES: OC[C@H]1O[C@H](Oc2ccc(Cc3cc(Cc4ccc(O[C@H]5O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)c(c4)-c4cccc(CC(O)=O)c4)cc(Cc4ccc(O[C@H]5O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)c(c4)-c4cccc(CC(O)=O)c4)c3)cc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O

InChI Key: InChIKey=HNPGDSRBFGIJFZ-TULXJTHTSA-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 = 50422288   

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
P-selectin/P-selectin glycoprotein ligand 1 (Homo sapiens (Human))	BDBM50422288 (CHEMBL2303876) Show SMILES OC[C@H]1O[C@H](Oc2ccc(Cc3cc(Cc4ccc(O[C@H]5O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)c(c4)-c4cccc(CC(O)=O)c4)cc(Cc4ccc(O[C@H]5O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)c(c4)-c4cccc(CC(O)=O)c4)c3)cc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C69H72O24/c70-31-52-58(79)61(82)64(85)67(91-52)88-49-13-10-37(25-46(49)43-7-1-4-34(22-43)28-55(73)74)16-40-19-41(17-38-11-14-50(89-68-65(86)62(83)59(80)53(32-71)92-68)47(26-38)44-8-2-5-35(23-44)29-56(75)76)21-42(20-40)18-39-12-15-51(90-69-66(87)63(84)60(81)54(33-72)93-69)48(27-39)45-9-3-6-36(24-45)30-57(77)78/h1-15,19-27,52-54,58-72,79-87H,16-18,28-33H2,(H,73,74)(H,75,76)(H,77,78)/t52-,53-,54-,58-,59-,60-,61-,62-,63-,64+,65+,66+,67+,68+,69+/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	2.00E+5	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
Leukocyte adhesion molecule-1 (Homo sapiens (Human))	BDBM50422288 (CHEMBL2303876) Show SMILES OC[C@H]1O[C@H](Oc2ccc(Cc3cc(Cc4ccc(O[C@H]5O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)c(c4)-c4cccc(CC(O)=O)c4)cc(Cc4ccc(O[C@H]5O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)c(c4)-c4cccc(CC(O)=O)c4)c3)cc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C69H72O24/c70-31-52-58(79)61(82)64(85)67(91-52)88-49-13-10-37(25-46(49)43-7-1-4-34(22-43)28-55(73)74)16-40-19-41(17-38-11-14-50(89-68-65(86)62(83)59(80)53(32-71)92-68)47(26-38)44-8-2-5-35(23-44)29-56(75)76)21-42(20-40)18-39-12-15-51(90-69-66(87)63(84)60(81)54(33-72)93-69)48(27-39)45-9-3-6-36(24-45)30-57(77)78/h1-15,19-27,52-54,58-72,79-87H,16-18,28-33H2,(H,73,74)(H,75,76)(H,77,78)/t52-,53-,54-,58-,59-,60-,61-,62-,63-,64+,65+,66+,67+,68+,69+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+5	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 L-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