BDBM50109897 (R)-3-(4-Cyclopentyloxy-phenyl)-3-{[(S)-1-(3,5-dichloro-benzenesulfonyl)-azetidine-2-carbonyl]-amino}-propionic acid::CHEMBL442769
SMILES: OC(=O)C[C@@H](NC(=O)[C@@H]1CCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccc(OC2CCCC2)cc1
InChI Key: InChIKey=YHFWYPZHVJZULG-YADHBBJMSA-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)) | BDBM50109897 ((R)-3-(4-Cyclopentyloxy-phenyl)-3-{[(S)-1-(3,5-dic...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of [125I]VCAM-Ig binding to alpha4-beta1 (VLA-4) of human RPMI-8866 cells | Bioorg Med Chem Lett 12: 611-4 (2002) BindingDB Entry DOI: 10.7270/Q29P30Z0 | |||||||||||
More data for this Ligand-Target Pair |