BDBM50090114 (S)-2-(4-Methoxy-benzylamino)-3-phenyl-propionic acid tert-butyl ester::CHEMBL37060
SMILES: COc1ccc(CN[C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)cc1
InChI Key: InChIKey=JTHQLYBGDSXOQL-IBGZPJMESA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Integrin α4β7 (Homo sapiens (Human)) | BDBM50090114 ((S)-2-(4-Methoxy-benzylamino)-3-phenyl-propionic a...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.22E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceutical Curated by ChEMBL | Assay Description Inhibition of alpha-4 beta7/MAdCAM mediated cell adhesion was evaluated using B-cell lymphoma RPMI 8866 cells | Bioorg Med Chem Lett 10: 1497-9 (2000) BindingDB Entry DOI: 10.7270/Q2DN4493 | |||||||||||
More data for this Ligand-Target Pair |