BDBM50108213 (S)-2-[((S)-3-Acetyl-thiazolidine-4-carbonyl)-amino]-3-(2'-methoxy-biphenyl-4-yl)-propionic acid::CHEMBL282637
SMILES: COc1ccccc1-c1ccc(C[C@H](NC(=O)[C@H]2CSCN2C(C)=O)C(O)=O)cc1
InChI Key: InChIKey=LPPNDFOQUKQERO-RBUKOAKNSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Integrin α4β7 (Homo sapiens (Human)) | BDBM50108213 ((S)-2-[((S)-3-Acetyl-thiazolidine-4-carbonyl)-amin...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of integrin alpha4-beta7 of human RPMI-8866 cells | Bioorg Med Chem Lett 12: 133-6 (2001) BindingDB Entry DOI: 10.7270/Q2DR2TSX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Fibronectin receptor beta/Integrin alpha-4 (Homo sapiens (Human)) | BDBM50108213 ((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 | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of integrin alpha4-beta1 of human Jurkat cells | Bioorg Med Chem Lett 12: 133-6 (2001) BindingDB Entry DOI: 10.7270/Q2DR2TSX | |||||||||||
More data for this Ligand-Target Pair |