null
SMILES: OC(=O)[C@H](Cc1ccc(cc1)-n1c(O)cc(Cc2ccccc2)c1O)NC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1
InChI Key: InChIKey=KCTWNPYQTLMGJM-SVBPBHIXSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Integrin alpha-4/beta-1 (Homo sapiens (Human)) | BDBM50095242 ((S)-3-[4-(3-Benzyl-2,5-dioxo-pyrrolidin-1-yl)-phen...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.940 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc. Curated by ChEMBL | Assay Description Antagonistic activity against VLA-4 binding to recombinant human VCAM by ramos cell assay | Bioorg Med Chem Lett 11: 1-4 (2001) BindingDB Entry DOI: 10.7270/Q2MS3V2H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha-4/beta-1 (Homo sapiens (Human)) | BDBM50095242 ((S)-3-[4-(3-Benzyl-2,5-dioxo-pyrrolidin-1-yl)-phen...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 123 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc. Curated by ChEMBL | Assay Description Antagonistic activity against VLA-4 (derived from ramos cells) binding to recombinant human VCAM by ELISA assay | Bioorg Med Chem Lett 11: 1-4 (2001) BindingDB Entry DOI: 10.7270/Q2MS3V2H | |||||||||||
More data for this Ligand-Target Pair |