BDBM50089007 (S)-2-[((S)-3-Acetyl-thiazolidine-4-carbonyl)-amino]-3-[4-(2-trifluoromethyl-benzyloxy)-phenyl]-propionic acid::CHEMBL178047
SMILES: CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](Cc1ccc(OCc2ccccc2C(F)(F)F)cc1)C(O)=O
InChI Key: InChIKey=ZSWDOGGMMOVIDK-VQTJNVASSA-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)) | BDBM50089007 ((S)-2-[((S)-3-Acetyl-thiazolidine-4-carbonyl)-amin...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience Curated by ChEMBL | Assay Description Affinity for alpha4-beta1 integrin from HL60 cell lysate | Bioorg Med Chem Lett 10: 997-9 (2000) BindingDB Entry DOI: 10.7270/Q23J3C6F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Fibronectin receptor beta/Integrin alpha-4 (Homo sapiens (Human)) | BDBM50089007 ((S)-2-[((S)-3-Acetyl-thiazolidine-4-carbonyl)-amin...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience Curated by ChEMBL | Assay Description Inhibition of alpha4-beta1 VCAM binding in Jurkat cell adhesion assay | Bioorg Med Chem Lett 10: 997-9 (2000) BindingDB Entry DOI: 10.7270/Q23J3C6F | |||||||||||
More data for this Ligand-Target Pair |