BDBM50088997 (R)-2-[(Adamantane-1-carbonyl)-amino]-3-{2-[(adamantane-1-carbonyl)-amino]-ethyldisulfanyl}-propionic acid::CHEMBL177333
SMILES: OC(=O)[C@H](CSSCCNC(=O)C12CC3CC(CC(C3)C1)C2)NC(=O)C12CC3CC(CC(C3)C1)C2
InChI Key: InChIKey=VRJYILWPNCRPIJ-VNBGXSMBSA-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)) | BDBM50088997 ((R)-2-[(Adamantane-1-carbonyl)-amino]-3-{2-[(adama...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience Curated by ChEMBL | Assay Description Inhibition of VCAM (vascular cell adhesion molecule) adhesion to alpha4-beta1 integrin of leukocyte cells | Bioorg Med Chem Lett 10: 993-5 (2000) BindingDB Entry DOI: 10.7270/Q2RJ4KRC | |||||||||||
More data for this Ligand-Target Pair |