null
SMILES: OC(=O)[C@H](Cc1ccc(cc1)-n1c(nc2cccnc12)C1COCCN1)NC1=C(Br)C(=O)C11CCCCC1
InChI Key: InChIKey=RWWRKXWQTNULEA-BGERDNNASA-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 (Homo sapiens (Human)) | BDBM50243757 ((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...) | PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Curated by ChEMBL | Assay Description Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry | Bioorg Med Chem Lett 18: 4146-9 (2008) Article DOI: 10.1016/j.bmcl.2008.05.075 BindingDB Entry DOI: 10.7270/Q2JW8DQZ | |||||||||||
More data for this Ligand-Target Pair |