BDBM50422131 CHEMBL2303887

SMILES: OC[C@H]1O[C@H](Oc2ccccc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O

InChI Key: InChIKey=NCYFXLIEKHHURF-XLSIIYIISA-N

Data: 6 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 6 hits for monomerid = 50422131   

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
Leukocyte adhesion molecule-1 (Mus musculus)	BDBM50422131 (CHEMBL2303887) Show SMILES OC[C@H]1O[C@H](Oc2ccccc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C20H22O8/c21-10-15-17(24)18(25)19(26)20(28-15)27-14-7-2-1-6-13(14)12-5-3-4-11(8-12)9-16(22)23/h1-8,15,17-21,24-26H,9-10H2,(H,22,23)/t15-,17-,18-,19+,20+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 In vitro inhibitory activity against sialyl Lewis X expressing HL60 cell binding Selectin L				J Med Chem 38: 4976-84 (1996) BindingDB Entry DOI: 10.7270/Q2B56KCP
					More data for this Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1 (Homo sapiens (Human))	BDBM50422131 (CHEMBL2303887) Show SMILES OC[C@H]1O[C@H](Oc2ccccc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C20H22O8/c21-10-15-17(24)18(25)19(26)20(28-15)27-14-7-2-1-6-13(14)12-5-3-4-11(8-12)9-16(22)23/h1-8,15,17-21,24-26H,9-10H2,(H,22,23)/t15-,17-,18-,19+,20+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.60E+6	n/a	n/a	n/a	n/a	n/a	n/a
Texas Biotechnology Corporation Curated by ChEMBL					Assay Description In vitro inhibitory activity against sialyl Lewis X expressing HL60 cell binding Selectin P				J Med Chem 38: 4976-84 (1996) BindingDB Entry DOI: 10.7270/Q2B56KCP
					More data for this Ligand-Target Pair
Selectin E (Homo sapiens (Human))	BDBM50422131 (CHEMBL2303887) Show SMILES OC[C@H]1O[C@H](Oc2ccccc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C20H22O8/c21-10-15-17(24)18(25)19(26)20(28-15)27-14-7-2-1-6-13(14)12-5-3-4-11(8-12)9-16(22)23/h1-8,15,17-21,24-26H,9-10H2,(H,22,23)/t15-,17-,18-,19+,20+/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	3.10E+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))	BDBM50422131 (CHEMBL2303887) Show SMILES OC[C@H]1O[C@H](Oc2ccccc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C20H22O8/c21-10-15-17(24)18(25)19(26)20(28-15)27-14-7-2-1-6-13(14)12-5-3-4-11(8-12)9-16(22)23/h1-8,15,17-21,24-26H,9-10H2,(H,22,23)/t15-,17-,18-,19+,20+/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	2.60E+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
Leukocyte adhesion molecule-1 (Homo sapiens (Human))	BDBM50422131 (CHEMBL2303887) Show SMILES OC[C@H]1O[C@H](Oc2ccccc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C20H22O8/c21-10-15-17(24)18(25)19(26)20(28-15)27-14-7-2-1-6-13(14)12-5-3-4-11(8-12)9-16(22)23/h1-8,15,17-21,24-26H,9-10H2,(H,22,23)/t15-,17-,18-,19+,20+/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	4.10E+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 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
Selectin E (Homo sapiens (Human))	BDBM50422131 (CHEMBL2303887) Show SMILES OC[C@H]1O[C@H](Oc2ccccc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C20H22O8/c21-10-15-17(24)18(25)19(26)20(28-15)27-14-7-2-1-6-13(14)12-5-3-4-11(8-12)9-16(22)23/h1-8,15,17-21,24-26H,9-10H2,(H,22,23)/t15-,17-,18-,19+,20+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Texas Biotechnology Corporation Curated by ChEMBL					Assay Description In vitro inhibition of HL60 (human leukemia) cell binding to human recombinant e-selectin.				J Med Chem 38: 4976-84 (1996) BindingDB Entry DOI: 10.7270/Q2B56KCP
					More data for this Ligand-Target Pair