BDBM50128322 (S)-2-[((S)-1-Benzenesulfonyl-pyrrolidine-2-carbonyl)-amino]-3-{4-[(3,5-dichloro-pyridine-4-carbonyl)-amino]-phenyl}-propionic acid::CHEMBL59531
SMILES: OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1
InChI Key: InChIKey=AIALEJRVPVZVLO-VXKWHMMOSA-N
Data: 3 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)) | BDBM50128322 ((S)-2-[((S)-1-Benzenesulfonyl-pyrrolidine-2-carbon...) | PDB Reactome pathway KEGG DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.130 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of [125I]VCAM-Ig binding to VLA-4 of Jurkat cells in the presence of [Ca2+] | Bioorg Med Chem Lett 13: 1891-5 (2003) BindingDB Entry DOI: 10.7270/Q2JW8G62 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Fibronectin receptor beta/Integrin alpha-4 (Homo sapiens (Human)) | BDBM50128322 ((S)-2-[((S)-1-Benzenesulfonyl-pyrrolidine-2-carbon...) | PDB Reactome pathway KEGG DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.150 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of VLA-4 binding in Jurkat cells in the presence of Mg2+ | Bioorg Med Chem Lett 13: 1891-5 (2003) BindingDB Entry DOI: 10.7270/Q2JW8G62 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Fibronectin receptor beta/Integrin alpha-4 (Homo sapiens (Human)) | BDBM50128322 ((S)-2-[((S)-1-Benzenesulfonyl-pyrrolidine-2-carbon...) | PDB Reactome pathway KEGG DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.130 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of [125I]VCAM-Ig binding to VLA-4 of Jurkat cells in the presence of [Ca2+] | Bioorg Med Chem Lett 13: 1891-5 (2003) BindingDB Entry DOI: 10.7270/Q2JW8G62 | |||||||||||
More data for this Ligand-Target Pair |