BDBM50117016 (S)-3-[4-(2,6-Dichloro-benzoylamino)-phenyl]-2-{[1-(2-methanesulfinyl-ethyl)-cyclopentanecarbonyl]-amino}-propionic acid::CHEMBL81952
SMILES: CS(=O)CCC1(CCCC1)C(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(O)=O
InChI Key: InChIKey=ULYHJYGNJKWWDI-RVOXPHBASA-N
Data: 2 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)) | BDBM50117016 ((S)-3-[4-(2,6-Dichloro-benzoylamino)-phenyl]-2-{[1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 0.210 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center Curated by ChEMBL | Assay Description Inhibition of Very late antigen 4/vascular cell adhesion molecule 1 interaction in ELISA | Bioorg Med Chem Lett 12: 2475-8 (2002) BindingDB Entry DOI: 10.7270/Q2251HH8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Fibronectin receptor beta/Integrin alpha-4 (Homo sapiens (Human)) | BDBM50117016 ((S)-3-[4-(2,6-Dichloro-benzoylamino)-phenyl]-2-{[1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center Curated by ChEMBL | Assay Description Inhibition of Very late antigen 4 (VLA-4) of Ramos cell adhesion to vascular cell adhesion molecule 1 (VCAM-1) | Bioorg Med Chem Lett 12: 2475-8 (2002) BindingDB Entry DOI: 10.7270/Q2251HH8 | |||||||||||
More data for this Ligand-Target Pair |