BDBM50157445 3-[4-(2,6-Dichloro-benzoylamino)-phenyl]-2-{3-[(2,2-dimethyl-propionyl)-isobutyl-amino]-4-propoxy-phenyl}-propionic acid::CHEMBL182181
SMILES: CCCOc1ccc(cc1N(CC(C)C)C(=O)C(C)(C)C)C(Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(O)=O
InChI Key: InChIKey=QLEPVYXTIMUWHF-UHFFFAOYSA-N
Data: 1 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 |
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Fibronectin receptor beta/Integrin alpha-4 (Homo sapiens (Human)) | BDBM50157445 (3-[4-(2,6-Dichloro-benzoylamino)-phenyl]-2-{3-[(2,...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Kaken Pharmaceutical Co. Ltd Curated by ChEMBL | Assay Description Inhibition of Very late antigen-4 (VLA-4) expressing human leukemia cells (HL-60) aggregation with human Vascular cell adhesion molecule-1 (VCAM-1) e... | Bioorg Med Chem Lett 15: 217-20 (2004) Article DOI: 10.1016/j.bmcl.2004.09.089 BindingDB Entry DOI: 10.7270/Q27945Z1 | |||||||||||
More data for this Ligand-Target Pair |