BDBM50087602 2-[1-benzyl-2-oxo-(5S)-dihydro-1H-5-pyrrolylcarboxamido]-3-[4-(4-nitrobenzyloxy)phenyl]-(2S)-propanoic acid::CHEMBL423622
SMILES: OC(=O)[C@H](Cc1ccc(OCc2ccc(cc2)[N+]([O-])=O)cc1)NC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1
InChI Key: InChIKey=HJQCMGCKGMGIAA-DQEYMECFSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Fibronectin receptor beta/Integrin alpha-4 (Homo sapiens (Human)) | BDBM50087602 (2-[1-benzyl-2-oxo-(5S)-dihydro-1H-5-pyrrolylcarbox...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc. Curated by ChEMBL | Assay Description Antagonistic activity against VLA-4 (derived from ramos cells) binding to recombinant human VCAM by ELISA assay | Bioorg Med Chem Lett 10: 729-33 (2000) BindingDB Entry DOI: 10.7270/Q2125TXJ | |||||||||||
More data for this Ligand-Target Pair |