null
SMILES: CCCN(CC)c1ncc(c(N[C@@H](Cc2ccc(OC(=O)N(C)C)cc2)C(O)=O)n1)-c1ccccc1C
InChI Key: InChIKey=GERYTDGNULKRJC-DEOSSOPVSA-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)) | BDBM50338194 ((2S)-3-(4-(dimethylcarbamoyloxy)phenyl)-2-(2-(ethy...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Inhibition of integrin alpha4beta1-mediated Jurkat cell adhesion to VCAM-1 by FACS analysis | Bioorg Med Chem Lett 21: 1741-3 (2011) Article DOI: 10.1016/j.bmcl.2011.01.075 BindingDB Entry DOI: 10.7270/Q2N58NM6 | |||||||||||
More data for this Ligand-Target Pair |