BDBM50056133 5-Acetylamino-2-(3,5-dihydroxy-2-hydroxymethyl-6-N-[2,5-Dihydroxy-6-hydroxymethyl-4-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-3-yl]-acetamide-tetrahydro-pyran-4-yloxy)-4-hydroxy-6-(1,2,3-trihydroxy-propyl)-tetrahydro-pyran-2-carboxylic acid::CHEMBL407480
SMILES: CC1OC(OC2C(NC(C)=O)[C@@H](O)OC(CO)C2OC2OC(CO)C(O)C(OC3(CC(O)C(NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C2O)C(O)C(O)C1O
InChI Key: InChIKey=NIGUVXFURDGQKZ-ABVMILKOSA-N
Data: 3 IC50
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 (Homo sapiens (Human)) | BDBM50056133 (5-Acetylamino-2-(3,5-dihydroxy-2-hydroxymethyl-6-N...) | 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 | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Kanebo Ltd. Curated by ChEMBL | Assay Description Inhibitory activity against Selectin L expressed in endothelial cells | J Med Chem 40: 362-9 (1997) Article DOI: 10.1021/jm9606103 BindingDB Entry DOI: 10.7270/Q2QV3KM0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P-selectin/P-selectin glycoprotein ligand 1 (Homo sapiens (Human)) | BDBM50056133 (5-Acetylamino-2-(3,5-dihydroxy-2-hydroxymethyl-6-N...) | 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 |
Kanebo Ltd. Curated by ChEMBL | Assay Description Inhibitory activity against Selectin P expressed in endothelial cells | J Med Chem 40: 362-9 (1997) Article DOI: 10.1021/jm9606103 BindingDB Entry DOI: 10.7270/Q2QV3KM0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Selectin E (Homo sapiens (Human)) | BDBM50056133 (5-Acetylamino-2-(3,5-dihydroxy-2-hydroxymethyl-6-N...) | 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 | 6.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kanebo Ltd. Curated by ChEMBL | Assay Description Inhibitory activity against E-selectin expressed in endothelial cells | J Med Chem 40: 362-9 (1997) Article DOI: 10.1021/jm9606103 BindingDB Entry DOI: 10.7270/Q2QV3KM0 | |||||||||||
More data for this Ligand-Target Pair |