BDBM50026869 CHEMBL3335527
SMILES: COC(=O)[C@H](O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@H](Cc2ccccc2)C(O)=O)[C@H]1OC(=O)c1ccccc1)C(=O)OC
InChI Key: InChIKey=ZYZJKJHBRAKBAW-UHKFPXPLSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Selectin E (Homo sapiens (Human)) | BDBM50026869 (CHEMBL3335527) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.08E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Cliniques de Montr£al (IRCM) Curated by ChEMBL | Assay Description Antagonist activity at E-selectin (unknown origin) assessed as adhesion to [3H]thymidine-labelled human HL60 cells by static assay | ACS Med Chem Lett 5: 1054-9 (2014) Article DOI: 10.1021/ml500266x BindingDB Entry DOI: 10.7270/Q2KW5HNG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P-selectin/P-selectin glycoprotein ligand 1 (Homo sapiens (Human)) | BDBM50026869 (CHEMBL3335527) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.20E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Cliniques de Montr£al (IRCM) Curated by ChEMBL | Assay Description Antagonist activity at P-selectin (unknown origin) by surface plasmon resonance-based dynamic assay | ACS Med Chem Lett 5: 1054-9 (2014) Article DOI: 10.1021/ml500266x BindingDB Entry DOI: 10.7270/Q2KW5HNG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P-selectin/P-selectin glycoprotein ligand 1 (Homo sapiens (Human)) | BDBM50026869 (CHEMBL3335527) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.90E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Cliniques de Montr£al (IRCM) Curated by ChEMBL | Assay Description Antagonist activity at P-selectin (unknown origin) assessed as adhesion to [3H]thymidine-labelled human HL60 cells by static assay | ACS Med Chem Lett 5: 1054-9 (2014) Article DOI: 10.1021/ml500266x BindingDB Entry DOI: 10.7270/Q2KW5HNG | |||||||||||
More data for this Ligand-Target Pair |