BDBM50108230 (S)-3-[4-(4-Benzoyl-piperazine-1-carbonyl)-phenyl]-2-[((S)-1-benzyl-5-oxo-pyrrolidine-2-carbonyl)-amino]-propionic acid::CHEMBL280746
SMILES: OC(=O)[C@H](Cc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1ccccc1)NC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1
InChI Key: InChIKey=IYSIHZPXKZQPKR-NSOVKSMOSA-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)) | BDBM50108230 ((S)-3-[4-(4-Benzoyl-piperazine-1-carbonyl)-phenyl]...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc. Curated by ChEMBL | Assay Description Concentration required to inhibit the VCAM-Very late antigen4 (VLA4) interaction in ELISA cell-based assay | Bioorg Med Chem Lett 12: 137-40 (2001) BindingDB Entry DOI: 10.7270/Q2QN6825 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Fibronectin receptor beta/Integrin alpha-4 (Homo sapiens (Human)) | BDBM50108230 ((S)-3-[4-(4-Benzoyl-piperazine-1-carbonyl)-phenyl]...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 960 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc. Curated by ChEMBL | Assay Description Concentration required to inhibit the VCAM-Very late antigen4 (VLA4) interaction in ELISA cell-based assay | Bioorg Med Chem Lett 12: 137-40 (2001) BindingDB Entry DOI: 10.7270/Q2QN6825 | |||||||||||
More data for this Ligand-Target Pair |